A0A087Y2J4_POEFO Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A087Y2J4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,181 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.6Very low29.5Very low252 Ų252122.8 Ų122.8100%1.24170%0.696SS**  087.40-85.2174.3168.500110.4
2G29.3Very low29.9Very low39 Ų39128.8 Ų128.840%0.40271%0.708SS.*  trans168.819.1178.200000116.1
3Q27.9Very low30.3Very low160 Ų160133.8 Ų133.875%0.74872%0.724SS**SBendtrans-92.1-1.8167.8-90.3-179.7-23.100112.1
4S29.2Very low31.5Very low83 Ų83138.1 Ų138.158%0.5873%0.732SS**SBendtrans-80-27.7-179.659.40000113.7S8S4-S8 WeakPolarHBondContact O-CB 3.33Å; S4-S8 PolarHBondContact O-N 2.96Å
5H26.6Very low32.8Very low146 Ų146142.5 Ų142.568%0.67674%0.743SS**THydrogen-bonded Turntrans-81.3-32-165.1-89.2-43.6000116.6
6F26.8Very low34.5Very low176 Ų176145.1 Ų145.177%0.77275%0.75SS**THydrogen-bonded Turntrans-89.3-20.7-179.4-110-87.2000114.3S8F6-S8 VanDerWaalsContact C-N 3.34Å
7G28.8Very low36.7Very low46 Ų46140.6 Ų140.647%0.47473%0.725SS.*THydrogen-bonded Turntrans-78.1-19.6166.900000113.1L9 V11G7-L9 VanDerWaalsContact C-N 3.31Å; G7-L9 PolarHBondContact O-N 3.36Å; G7-V11 VanDerWaalsContact O-CG2 3.23Å; G7-V11 WeakPolarHBondContact O-CG2 3.47Å
8S26.4Very low39.1Very low74 Ų74142.3 Ų142.352%0.51773%0.729SS.*G310 helixtrans-74.1-13.5-175.5-178.30000114.6S4 F6 C10S4-S8 WeakPolarHBondContact O-CB 3.33Å; S4-S8 PolarHBondContact O-N 2.96Å; F6-S8 VanDerWaalsContact C-N 3.34Å; S8-C10 VanDerWaalsContact C-N 3.25Å; S8-C10 PolarHBondContact O-N 2.83Å
9L29.6Very low41.5Very low143 Ų143140.4 Ų140.475%0.74972%0.716SS**G310 helixtrans-78.2-7.3-179.8-88.7150.4000113.7G7G7-L9 VanDerWaalsContact C-N 3.31Å; G7-L9 PolarHBondContact O-N 3.36Å
10C31.6Very low43.9Very low129 Ų129133.4 Ų133.487%0.87268%0.681SS**G310 helixtrans-140.824177.1-94.70000114S8S8-C10 VanDerWaalsContact C-N 3.25Å; S8-C10 PolarHBondContact O-N 2.83Å
11V34.5Very low46.2Very low103 Ų103130.5 Ų130.562%0.62466%0.662SS**  trans-101.997.2171.61760000107.5G7 E13G7-V11 VanDerWaalsContact O-CG2 3.23Å; G7-V11 WeakPolarHBondContact O-CG2 3.47Å; V11-E13 PolarHBondContact O-N 3.24Å
12K34.1Very low49Very low194 Ų194118.6 Ų118.684%0.84360%0.603SS**  trans-46.7127.2157.8-85.8176.5170.8177.40107.3K14K12-K14 PolarHBondContact O-N 3.07Å
13E35Very low51.9Low194 Ų194121.5 Ų121.591%0.90760%0.602SS**  trans-49.3107.6167.3-76.2-179.7150.500108.1V11 K15V11-E13 PolarHBondContact O-N 3.24Å; E13-K15 PolarHBondContact O-N 3.23Å; E13-K15 VanDerWaalsContact O-N 3.11Å
14K47.6Very low54.8Low195 Ų195114.2 Ų114.285%0.84857%0.569SS**  trans-68.6110172.2-91.2-173.3169.3-168.30106.2K12 Q16K12-K14 PolarHBondContact O-N 3.07Å; K14-Q16 PolarHBondContact O-N 3.26Å
15K51.5Low57.4Low204 Ų204112.8 Ų112.889%0.88756%0.555SS**  trans-49.5131.4163.2-81.2-176.3173.6-176.50107.9E13 E17E13-K15 PolarHBondContact O-N 3.23Å; E13-K15 VanDerWaalsContact O-N 3.11Å; K15-E17 PolarHBondContact O-N 2.91Å
16Q59.3Low60.2Low183 Ų183108.4 Ų108.486%0.85554%0.537SS*.  trans-64.9118.1178.3-164.1166.8-4.900108K14 E18K14-Q16 PolarHBondContact O-N 3.26Å; Q16-E18 PolarHBondContact O-N 2.68Å
17E73Confident63.1Low70 Ų70103.2 Ų103.233%0.32751%0.512SS..  trans-69114.6178.2-174.3177.5-172.100108.4K15 R20 P210K15-E17 PolarHBondContact O-N 2.91Å; E17-R20 VanDerWaalsContact OE1-CB 3.29Å; E17-R20 WeakPolarHBondContact OE1-CB 3.2Å; E17-R20 VanDerWaalsContact OE1-CG 3.27Å; E17-R20 WeakPolarHBondContact OE1-CG 3.34Å; E17-P210 WeakPolarHBondContact O-CB 3.38Å
18E78.7Confident65.8Low170 Ų170105.9 Ų105.979%0.79452%0.521SS*.SBendtrans-83.7-35.2178.1-67.8-173.5166.900111.8Q16 P210Q16-E18 PolarHBondContact O-N 2.68Å; E18-P210 WeakPolarHBondContact O-CD 3.46Å
19E84.4Confident68.6Low106 Ų106103.4 Ų103.450%0.49550%0.503SS..SBendtrans-148.6146.7179.7-67.7-175.7158.700110.4Y21E19-Y21 HydrophobicContact CB-CE2 3.72Å; E19-Y21 PolarHBondContact OE2-OH 2.93Å
20R90.1Very high71.4Confident0 Ų096.9 Ų96.90%047%0.469CS..EExtended strand (participates in β ladder)trans-105.3134.8178.7-168.4170.7-156144.73.2111.8E17 V22 Y35 R207 C208 D259E17-R20 VanDerWaalsContact OE1-CB 3.29Å; E17-R20 WeakPolarHBondContact OE1-CB 3.2Å; E17-R20 VanDerWaalsContact OE1-CG 3.27Å; E17-R20 WeakPolarHBondContact OE1-CG 3.34Å; R20-V22 HydrophobicContact CG-CG2 4.22Å; R20-Y35 HydrophobicContact CG-CE1 3.8Å; R20-Y35 VanDerWaalsContact NH2-CG 3.31Å; R20-R207 WeakPolarHBondContact O-CA 3.44Å; R20-C208 PolarHBondContact N-O 3.36Å; R20-C208 PolarHBondContact O-N 3.04Å; R20-D259 IonicContact CZ-OD2 2.86Å; R20-D259 VanDerWaalsContact CZ-OD2 3.31Å; R20-D259 IonicContact NH1-OD2 3.55Å; R20-D259 PolarHBondContact NH1-OD2 2.95Å; R20-D259 IonicContact NH2-OD2 3.19Å; R20-D259 PolarHBondContact NH2-OD2 3.42Å
21Y91.4Very high73.9Confident74 Ų7495.4 Ų95.429%0.2945%0.452SS..EExtended strand (participates in β ladder)trans-119.5114.3-174.8-67.8-97.9000110.9E19 Y35 R207E19-Y21 HydrophobicContact CB-CE2 3.72Å; E19-Y21 PolarHBondContact OE2-OH 2.93Å; Y21-Y35 PolarHBondContact N-OH 2.96Å; Y21-Y35 VanDerWaalsContact N-OH 3.12Å; Y21-Y35 WeakPolarHBondContact O-CE2 3.35Å; Y21-Y35 PolarHBondContact O-OH 2.81Å; Y21-R207 HydrophobicContact CD1-CG 3.8Å; Y21-R207 HydrophobicContact CE1-CG 3.8Å
22V92.3Very high76.4Confident2 Ų294.3 Ų94.31%0.01245%0.449CS..EExtended strand (participates in β ladder)trans-123.9131.3-177.1-177.70000110.2R20 V139 V206 I254R20-V22 HydrophobicContact CG-CG2 4.22Å; V22-V139 HydrophobicContact CB-CG1 4.38Å; V22-V139 HydrophobicContact CG1-CG1 3.86Å; V22-V139 HydrophobicContact CG2-CG1 3.61Å; V22-V206 HydrophobicContact CB-CB 4.34Å; V22-V206 PolarHBondContact N-O 3.06Å; V22-V206 PolarHBondContact O-N 2.94Å; V22-I254 HydrophobicContact CG1-CD1 4.46Å
23R91.3Very high78.8Confident100 Ų10090.6 Ų90.638%0.37743%0.431SS..EExtended strand (participates in β ladder)trans-107131.2172.2-69.6-172.6168.1167.5-2.9110.8D26 S29 N30 E205R23-D26 HydrophobicContact CB-CB 3.94Å; R23-S29 PolarHBondContact NH1-OG 2.85Å; R23-N30 PolarHBondContact N-OD1 3.19Å; R23-N30 PolarHBondContact O-ND2 2.83Å; R23-E205 HydrophobicContact CG-CG 4.24Å; R23-E205 IonicContact CZ-OE1 3.49Å; R23-E205 IonicContact NE-OE1 3.59Å; R23-E205 PolarHBondContact NE-OE1 2.82Å; R23-E205 IonicContact NH2-OE1 3.19Å; R23-E205 PolarHBondContact NH2-OE1 3.09Å
24A89.1Confident81.2Confident7 Ų788.3 Ų88.36%0.05843%0.425CS..THydrogen-bonded Turntrans-68.6134.2177.300000111.7D26 F202 G204 L252A24-D26 PolarHBondContact O-N 3.33Å; A24-D26 VanDerWaalsContact O-N 3.12Å; A24-F202 HydrophobicContact CB-CD1 3.65Å; A24-F202 HydrophobicContact CB-CE1 3.75Å; A24-G204 PolarHBondContact N-O 2.9Å; A24-L252 HydrophobicContact CB-CD1 3.84Å; A24-L252 HydrophobicContact CB-CD2 4.13Å
25N83.9Confident83.1Confident52 Ų5280.8 Ų80.828%0.27839%0.391SS..THydrogen-bonded Turntrans5719.9178-63.5-30.4000115.7G140 I142 L199 S200N25-G140 PolarHBondContact N-O 2.76Å; N25-I142 WeakPolarHBondContact ND2-CD1 3.27Å; N25-I142 WeakPolarHBondContact OD1-CD1 3.26Å; N25-I142 WeakPolarHBondContact OD1-CG1 3.47Å; N25-L199 PolarHBondContact ND2-O 3.48Å; N25-S200 PolarHBondContact ND2-O 3.28Å
26D85.5Confident84.7Confident54 Ų5472.4 Ų72.429%0.28936%0.36SS..  trans-119.973.6178.4-172.3-6.5000111.1R23 A24 P28 S29 N30R23-D26 HydrophobicContact CB-CB 3.94Å; A24-D26 PolarHBondContact O-N 3.33Å; A24-D26 VanDerWaalsContact O-N 3.12Å; D26-P28 WeakPolarHBondContact OD1-CD 3.27Å; D26-S29 PolarHBondContact O-N 3.13Å; D26-S29 WeakPolarHBondContact OD1-CB 3.37Å; D26-S29 PolarHBondContact OD1-N 2.88Å; D26-S29 WeakPolarHBondContact OD2-CB 3.4Å; D26-N30 PolarHBondContact O-N 3.33Å; D26-N30 VanDerWaalsContact O-N 3.1Å; D26-N30 PolarHBondContact O-ND2 2.96Å; D26-N30 VanDerWaalsContact O-ND2 3.11Å
27R86.2Confident86.2Confident68 Ų6868.5 Ų68.526%0.25735%0.345SS..Hα-helixtrans-54.6-46.6177.3-75.5-175.4175.1-177.7-4.1113.2S29 N30 L31 D141R27-S29 VanDerWaalsContact C-N 3.33Å; R27-S29 PolarHBondContact O-N 2.97Å; R27-N30 PolarHBondContact O-N 3.24Å; R27-L31 WeakPolarHBondContact O-CB 3.42Å; R27-L31 VanDerWaalsContact O-CG 3.26Å; R27-L31 WeakPolarHBondContact O-CG 3.38Å; R27-L31 PolarHBondContact O-N 2.69Å; R27-D141 WeakPolarHBondContact CG-OD1 3.14Å; R27-D141 IonicContact CZ-OD1 2.7Å; R27-D141 IonicContact CZ-OD2 3.52Å; R27-D141 IonicContact NE-OD1 3.68Å; R27-D141 PolarHBondContact NE-OD1 3.08Å; R27-D141 IonicContact NE-OD2 2.72Å; R27-D141 PolarHBondContact NE-OD2 2.99Å; R27-D141 VanDerWaalsContact NH2-CG 3.34Å; R27-D141 IonicContact NH2-OD1 3.31Å; R27-D141 PolarHBondContact NH2-OD1 3.41Å; R27-D141 IonicContact NH2-OD2 3.16Å; R27-D141 PolarHBondContact NH2-OD2 3.34Å
28P85.9Confident87.1Confident101 Ų10165.3 Ų65.366%0.65633%0.33SS*.Hα-helixtrans-58-42.2179.7-25.334.7000113.3D26D26-P28 WeakPolarHBondContact OD1-CD 3.27Å
29S85.7Confident87.5Confident22 Ų2258.1 Ų58.115%0.15430%0.3CS..Hα-helixtrans-67.4-44.3177.5-172.70000111.7R23 D26 R27 L31 S32 Y33R23-S29 PolarHBondContact NH1-OG 2.85Å; D26-S29 PolarHBondContact O-N 3.13Å; D26-S29 WeakPolarHBondContact OD1-CB 3.37Å; D26-S29 PolarHBondContact OD1-N 2.88Å; D26-S29 WeakPolarHBondContact OD2-CB 3.4Å; R27-S29 VanDerWaalsContact C-N 3.33Å; R27-S29 PolarHBondContact O-N 2.97Å; S29-L31 VanDerWaalsContact C-N 3.34Å; S29-L31 PolarHBondContact O-N 2.95Å; S29-S32 WeakPolarHBondContact O-CB 3.3Å; S29-S32 PolarHBondContact O-N 3.01Å; S29-S32 PolarHBondContact O-OG 3.45Å; S29-Y33 WeakPolarHBondContact O-CD2 3.26Å
30N87.4Confident87.5Confident6 Ų654.2 Ų54.23%0.03228%0.282CS..Hα-helixtrans-67.1-33.4-179.8-64.9-35000113R23 D26 R27 S32 Y33 Y35 V139 G140R23-N30 PolarHBondContact N-OD1 3.19Å; R23-N30 PolarHBondContact O-ND2 2.83Å; D26-N30 PolarHBondContact O-N 3.33Å; D26-N30 VanDerWaalsContact O-N 3.1Å; D26-N30 PolarHBondContact O-ND2 2.96Å; D26-N30 VanDerWaalsContact O-ND2 3.11Å; R27-N30 PolarHBondContact O-N 3.24Å; N30-S32 PolarHBondContact O-N 3.38Å; N30-Y33 PolarHBondContact O-N 3.42Å; N30-Y35 WeakPolarHBondContact O-CD2 3.13Å; N30-V139 PolarHBondContact ND2-O 2.65Å; N30-V139 VanDerWaalsContact ND2-O 3.15Å; N30-G140 WeakPolarHBondContact ND2-CA 3.4Å
31L85.6Confident87Confident99 Ų9961.5 Ų61.552%0.51831%0.309SS..Hα-helixtrans-65.3-27.1176.9-76.9167.9000112.8R27 S29 Y33 N34R27-L31 WeakPolarHBondContact O-CB 3.42Å; R27-L31 VanDerWaalsContact O-CG 3.26Å; R27-L31 WeakPolarHBondContact O-CG 3.38Å; R27-L31 PolarHBondContact O-N 2.69Å; S29-L31 VanDerWaalsContact C-N 3.34Å; S29-L31 PolarHBondContact O-N 2.95Å; L31-Y33 PolarHBondContact O-N 3.11Å; L31-N34 PolarHBondContact O-N 3.26Å
32S86.4Confident86.1Confident80 Ų8061.2 Ų61.256%0.55932%0.316SS*.THydrogen-bonded Turntrans-61.7-26.4177.774.50000113.5S29 N30 N34S29-S32 WeakPolarHBondContact O-CB 3.3Å; S29-S32 PolarHBondContact O-N 3.01Å; S29-S32 PolarHBondContact O-OG 3.45Å; N30-S32 PolarHBondContact O-N 3.38Å; S32-N34 VanDerWaalsContact C-N 3.33Å
33Y84Confident85.3Confident116 Ų11661.8 Ų61.846%0.45532%0.32SS..THydrogen-bonded Turntrans-83.1-4.5177.9-63.7-81.2000113.8S29 N30 L31 Y35S29-Y33 WeakPolarHBondContact O-CD2 3.26Å; N30-Y33 PolarHBondContact O-N 3.42Å; L31-Y33 PolarHBondContact O-N 3.11Å; Y33-Y35 VanDerWaalsContact C-N 3.33Å; Y33-Y35 VanDerWaalsContact CB-CZ 3.4Å; Y33-Y35 HydrophobicContact CD2-CE2 4.14Å; Y33-Y35 HydrophobicContact CG-CE1 4.45Å; Y33-Y35 HydrophobicContact CG-CE2 4.15Å; Y33-Y35 AromaticContact CG-CZ 3.81Å; Y33-Y35 PolarHBondContact O-N 3.21Å
34N85.9Confident84.3Confident145 Ų14562 Ų6278%0.77532%0.323SS*.THydrogen-bonded Turntrans52.843.7-179.3-64.8-60.6000114.1L31 S32L31-N34 PolarHBondContact O-N 3.26Å; S32-N34 VanDerWaalsContact C-N 3.33Å
35Y87.9Confident83.9Confident38 Ų3862.2 Ų62.215%0.14932%0.323CS..PPolyproline II helixtrans-59.7154.4174.1-65.7-40.8000112.8R20 Y21 N30 Y33 V139R20-Y35 HydrophobicContact CG-CE1 3.8Å; R20-Y35 VanDerWaalsContact NH2-CG 3.31Å; Y21-Y35 PolarHBondContact N-OH 2.96Å; Y21-Y35 VanDerWaalsContact N-OH 3.12Å; Y21-Y35 WeakPolarHBondContact O-CE2 3.35Å; Y21-Y35 PolarHBondContact O-OH 2.81Å; N30-Y35 WeakPolarHBondContact O-CD2 3.13Å; Y33-Y35 VanDerWaalsContact C-N 3.33Å; Y33-Y35 VanDerWaalsContact CB-CZ 3.4Å; Y33-Y35 HydrophobicContact CD2-CE2 4.14Å; Y33-Y35 HydrophobicContact CG-CE1 4.45Å; Y33-Y35 HydrophobicContact CG-CE2 4.15Å; Y33-Y35 AromaticContact CG-CZ 3.81Å; Y33-Y35 PolarHBondContact O-N 3.21Å; Y35-V139 HydrophobicContact CD2-CB 3.95Å; Y35-V139 HydrophobicContact CD2-CG1 3.77Å; Y35-V139 HydrophobicContact CD2-CG2 4.42Å; Y35-V139 HydrophobicContact CE2-CG1 4.15Å; Y35-V139 HydrophobicContact CG-CB 4.46Å; Y35-V139 HydrophobicContact CG-CG1 4.47Å; Y35-V139 HydrophobicContact CG-CG2 4.45Å
36A85.7Confident83.9Confident27 Ų2763.1 Ų63.122%0.22333%0.328CS..PPolyproline II helixtrans-63.7143.8177.500000111.6P258A36-P258 HydrophobicContact CB-CG 4.26Å
37N89.1Confident83.9Confident102 Ų10268.7 Ų68.755%0.54536%0.355SS..PPolyproline II helixtrans-74.2160.5173.163.5-9.5000111A39 G257 P258N37-A39 PolarHBondContact O-N 3.39Å; N37-G257 WeakPolarHBondContact O-CA 3.12Å; N37-P258 WeakPolarHBondContact O-CD 3.2Å
38N91.8Very high83.9Confident2 Ų272.6 Ų72.61%0.01138%0.38CS..SBendtrans-80.52.6-178.7-16140.8000114.7W134 V137 T152 R239 G257N38-W134 WeakPolarHBondContact CB-O 3.29Å; N38-W134 PolarHBondContact ND2-O 2.98Å; N38-V137 HydrophobicContact CB-CB 4.26Å; N38-V137 VanDerWaalsContact CB-O 3.23Å; N38-V137 WeakPolarHBondContact CB-O 3.25Å; N38-T152 PolarHBondContact ND2-O 3.11Å; N38-R239 PolarHBondContact O-NH1 2.69Å; N38-R239 PolarHBondContact OD1-NH1 2.83Å; N38-G257 PolarHBondContact OD1-N 3.42Å
39A88.5Confident84Confident19 Ų1970.1 Ų70.116%0.15736%0.363CS..  trans-74.9131.2178.400000111.4N37 M135N37-A39 PolarHBondContact O-N 3.39Å; A39-M135 HydrophobicContact CB-CB 4Å
40I83.1Confident84.2Confident25 Ų2571.1 Ų71.113%0.12837%0.365CS..  trans-92.3132.8170.8-65-176.3000109T42 V116 N117 M263I40-T42 HydrophobicContact CG2-CG2 3.93Å; I40-V116 HydrophobicContact CD1-CG1 4.31Å; I40-N117 PolarHBondContact N-OD1 2.73Å; I40-N117 PolarHBondContact O-ND2 2.85Å; I40-M263 HydrophobicContact CD1-CG 4.47Å; I40-M263 HydrophobicContact CD1-SD 3.81Å; I40-M263 HydrophobicContact CG1-SD 4.45Å; I40-M263 HydrophobicContact CG2-CE 4.32Å
41R79.3Confident84.2Confident152 Ų15275.9 Ų75.957%0.57439%0.39SS*.  trans-131.8107.2173.4-174.1176.5174.5-174.3-3.9110.3N46R41-N46 PolarHBondContact NH2-ND2 3.03Å; R41-N46 PolarHBondContact NH2-OD1 3.36Å
42T72.7Confident84.4Confident69 Ų6975 Ų7542%0.42339%0.39SS..  trans-102.6-13175.467.30000112.7I40 D113I40-T42 HydrophobicContact CG2-CG2 3.93Å; T42-D113 WeakPolarHBondContact CB-OD1 3.39Å; T42-D113 WeakPolarHBondContact CG2-OD1 3.37Å; T42-D113 PolarHBondContact N-OD1 2.75Å; T42-D113 PolarHBondContact N-OD2 3.33Å; T42-D113 VanDerWaalsContact OG1-CG 3.26Å; T42-D113 PolarHBondContact OG1-OD1 3.23Å; T42-D113 PolarHBondContact OG1-OD2 2.95Å
43S76.6Confident84.3Confident13 Ų1374.9 Ų74.99%0.09138%0.382CS..  trans-64.6141.217563.10000113.2H110 D113S43-H110 WeakPolarHBondContact CB-CE1 3.1Å; S43-H110 VanDerWaalsContact CB-NE2 3.27Å; S43-H110 WeakPolarHBondContact CB-NE2 3.24Å; S43-H110 PolarHBondContact OG-CE1 3.39Å; S43-H110 PolarHBondContact OG-NE2 3.35Å; S43-D113 PolarHBondContact N-OD2 3.48Å
44K71.1Confident84.5Confident105 Ų10569.4 Ų69.446%0.45736%0.361SS..  trans-87.2-37.1179.8-73.9178.7178.2-179.70112D106K44-D106 PolarHBondContact N-OD1 2.84Å
45Y79.3Confident84.5Confident11 Ų1165.2 Ų65.24%0.04334%0.339CS..  trans-116.8151.6-169.8-45.7-73.8000111.5F50 L53 E57 D106 H110Y45-F50 AromaticContact CD2-CD2 3.82Å; Y45-F50 HydrophobicContact CD2-CD2 3.82Å; Y45-F50 HydrophobicContact CD2-CE2 4.19Å; Y45-F50 AromaticContact CG-CD2 3.84Å; Y45-F50 HydrophobicContact CG-CD2 3.84Å; Y45-L53 HydrophobicContact CD1-CB 4.08Å; Y45-L53 HydrophobicContact CD1-CD1 4.45Å; Y45-L53 HydrophobicContact CE1-CB 4.14Å; Y45-E57 PolarHBondContact OH-OE2 3.29Å; Y45-D106 HydrophobicContact CD2-CB 4.01Å; Y45-D106 PolarHBondContact N-OD2 2.91Å; Y45-D106 VanDerWaalsContact N-OD2 3.09Å; Y45-H110 PolarHBondContact O-NE2 2.85Å
46N84.7Confident84.4Confident72 Ų7268.6 Ų68.639%0.38535%0.354SS..  trans-102162.5160.9-78.4-19.1000108.4R41 I48 T49 F50R41-N46 PolarHBondContact NH2-ND2 3.03Å; R41-N46 PolarHBondContact NH2-OD1 3.36Å; N46-I48 PolarHBondContact O-N 2.73Å; N46-I48 VanDerWaalsContact O-N 3.12Å; N46-T49 HydrophobicContact CB-CG2 4.4Å; N46-T49 WeakPolarHBondContact CB-OG1 3.13Å; N46-T49 PolarHBondContact N-OG1 3.03Å; N46-T49 CarbonylContact O-C 3.57Å; N46-T49 PolarHBondContact O-N 2.79Å; N46-T49 PolarHBondContact O-OG1 2.9Å; N46-F50 WeakPolarHBondContact O-CB 3.42Å; N46-F50 PolarHBondContact O-N 3.02Å
47I84.3Confident84Confident170 Ų17070.4 Ų70.487%0.87236%0.358SS*.Hα-helixtrans-50.8-42.6178.9-63.4169.3000111.7
48I87.8Confident83.7Confident151 Ų15165.6 Ų65.677%0.77433%0.332SS*.Hα-helixtrans-77.5-37.4-179.3-57.5169000111.8N46 P52N46-I48 PolarHBondContact O-N 2.73Å; N46-I48 VanDerWaalsContact O-N 3.12Å; I48-P52 WeakPolarHBondContact O-CD 3.43Å
49T87.8Confident83.3Confident49 Ų4968.3 Ų68.330%0.30134%0.344SS..Hα-helixtrans-86-10.8-17666.10000113.1N46 P52 L53N46-T49 HydrophobicContact CB-CG2 4.4Å; N46-T49 WeakPolarHBondContact CB-OG1 3.13Å; N46-T49 PolarHBondContact N-OG1 3.03Å; N46-T49 CarbonylContact O-C 3.57Å; N46-T49 PolarHBondContact O-N 2.79Å; N46-T49 PolarHBondContact O-OG1 2.9Å; T49-P52 WeakPolarHBondContact O-CD 3.19Å; T49-L53 WeakPolarHBondContact O-CB 3.4Å; T49-L53 WeakPolarHBondContact O-CG 3.39Å; T49-L53 PolarHBondContact O-N 2.93Å; T49-L53 VanDerWaalsContact O-N 3.08Å
50F88.9Confident82.8Confident42 Ų4273.4 Ų73.418%0.18436%0.359CS..Hα-helixtrans-56.8-62.1-178.4175.7-101.4000111.1Y45 N46 N54 A99 D102 A103Y45-F50 AromaticContact CD2-CD2 3.82Å; Y45-F50 HydrophobicContact CD2-CD2 3.82Å; Y45-F50 HydrophobicContact CD2-CE2 4.19Å; Y45-F50 AromaticContact CG-CD2 3.84Å; Y45-F50 HydrophobicContact CG-CD2 3.84Å; N46-F50 WeakPolarHBondContact O-CB 3.42Å; N46-F50 PolarHBondContact O-N 3.02Å; F50-N54 HydrophobicContact CE2-CB 4.32Å; F50-N54 HydrophobicContact CZ-CB 4.39Å; F50-N54 WeakPolarHBondContact O-CA 3.38Å; F50-N54 WeakPolarHBondContact O-CB 3.39Å; F50-N54 PolarHBondContact O-N 3.32Å; F50-A99 HydrophobicContact CE1-CB 4.44Å; F50-A99 HydrophobicContact CZ-CB 4.28Å; F50-A99 WeakPolarHBondContact CZ-O 3.46Å; F50-D102 HydrophobicContact CE2-CB 4.42Å; F50-A103 HydrophobicContact CE1-CB 4.32Å; F50-A103 HydrophobicContact CE2-CB 3.95Å; F50-A103 HydrophobicContact CZ-CB 3.66Å
51L88.6Confident82.5Confident107 Ų10776.9 Ų76.956%0.5637%0.371SS*.Hα-helixtrans-58.3-52-176.3-171.169000113.6L55L51-L55 HydrophobicContact CD1-CD1 3.94Å; L51-L55 HydrophobicContact CD1-CG 4.24Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CB 3.29Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.44Å; L51-L55 PolarHBondContact O-N 2.78Å
52P89.5Confident82.3Confident80 Ų8074.8 Ų74.852%0.51937%0.37SS..Hα-helixtrans-68.4-41.4-176.924.9-33.9000113.2I48 T49 F56I48-P52 WeakPolarHBondContact O-CD 3.43Å; T49-P52 WeakPolarHBondContact O-CD 3.19Å; P52-F56 VanDerWaalsContact O-CB 3.23Å; P52-F56 WeakPolarHBondContact O-CB 3.43Å; P52-F56 PolarHBondContact O-N 2.86Å
53L84.6Confident82.6Confident77 Ų7771.6 Ų71.640%0.40335%0.351SS..Hα-helixtrans-71.5-39.6178.1-69.7170.4000111.4Y45 T49 F56 E57Y45-L53 HydrophobicContact CD1-CB 4.08Å; Y45-L53 HydrophobicContact CD1-CD1 4.45Å; Y45-L53 HydrophobicContact CE1-CB 4.14Å; T49-L53 WeakPolarHBondContact O-CB 3.4Å; T49-L53 WeakPolarHBondContact O-CG 3.39Å; T49-L53 PolarHBondContact O-N 2.93Å; T49-L53 VanDerWaalsContact O-N 3.08Å; L53-F56 PolarHBondContact O-N 3.14Å; L53-E57 WeakPolarHBondContact O-CB 3.35Å; L53-E57 WeakPolarHBondContact O-CG 3.34Å; L53-E57 PolarHBondContact O-N 3.32Å
54N86.6Confident82.9Confident1 Ų171.4 Ų71.41%0.00535%0.349CS..Hα-helixtrans-65-48179.1-173.2-98000110.7F50 F56 E57 Q58 D102F50-N54 HydrophobicContact CE2-CB 4.32Å; F50-N54 HydrophobicContact CZ-CB 4.39Å; F50-N54 WeakPolarHBondContact O-CA 3.38Å; F50-N54 WeakPolarHBondContact O-CB 3.39Å; F50-N54 PolarHBondContact O-N 3.32Å; N54-F56 VanDerWaalsContact C-N 3.34Å; N54-F56 PolarHBondContact O-N 3.22Å; N54-E57 PolarHBondContact O-N 2.98Å; N54-Q58 WeakPolarHBondContact O-CB 3.4Å; N54-Q58 VanDerWaalsContact O-CG 3.29Å; N54-Q58 WeakPolarHBondContact O-CG 3.45Å; N54-Q58 PolarHBondContact O-N 3.49Å; N54-Q58 PolarHBondContact OD1-NE2 3.34Å; N54-D102 WeakPolarHBondContact ND2-CB 3.44Å; N54-D102 PolarHBondContact ND2-OD2 3.48Å
55L86.6Confident83.5Confident58 Ų5868.5 Ų68.530%0.30434%0.344SS..Hα-helixtrans-60.4-43.1174.5-73.4173.9000111.8L51 E57 Q58 F59L51-L55 HydrophobicContact CD1-CD1 3.94Å; L51-L55 HydrophobicContact CD1-CG 4.24Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CB 3.29Å; L51-L55 VanDerWaalsContact O-CG 3.31Å; L51-L55 WeakPolarHBondContact O-CG 3.44Å; L51-L55 PolarHBondContact O-N 2.78Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.43Å; L55-Q58 PolarHBondContact O-N 3.14Å; L55-F59 HydrophobicContact CB-CD2 4.45Å; L55-F59 HydrophobicContact CD2-CE2 4.24Å; L55-F59 WeakPolarHBondContact O-CD2 3.5Å; L55-F59 PolarHBondContact O-N 2.82Å
56F86.2Confident83.8Confident108 Ų10869.5 Ų69.547%0.47435%0.348SS..Hα-helixtrans-59.7-44.1175.8-177.9-103.3000111.9P52 L53 N54 F59 R60P52-F56 VanDerWaalsContact O-CB 3.23Å; P52-F56 WeakPolarHBondContact O-CB 3.43Å; P52-F56 PolarHBondContact O-N 2.86Å; L53-F56 PolarHBondContact O-N 3.14Å; N54-F56 VanDerWaalsContact C-N 3.34Å; N54-F56 PolarHBondContact O-N 3.22Å; F56-F59 PolarHBondContact O-N 3.37Å; F56-R60 HydrophobicContact CE1-CG 4.42Å; F56-R60 VanDerWaalsContact O-CG 3.32Å; F56-R60 WeakPolarHBondContact O-CG 3.38Å; F56-R60 PolarHBondContact O-N 2.97Å; F56-R60 VanDerWaalsContact O-N 3.13Å
57E77.9Confident83.8Confident65 Ų6566.1 Ų66.130%0.30433%0.33SS..Hα-helixtrans-65.7-37.4175.9-75.3-176.2159.800112.8Y45 L53 N54 L55 R60Y45-E57 PolarHBondContact OH-OE2 3.29Å; L53-E57 WeakPolarHBondContact O-CB 3.35Å; L53-E57 WeakPolarHBondContact O-CG 3.34Å; L53-E57 PolarHBondContact O-N 3.32Å; N54-E57 PolarHBondContact O-N 2.98Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.43Å; E57-R60 PolarHBondContact O-N 3.42Å
58Q82.4Confident84Confident1 Ų161.1 Ų61.11%0.00531%0.305CS..Hα-helixtrans-68-42176.5-71.5-164.742.800112N54 L55 R60 R61 N64 L95 T98N54-Q58 WeakPolarHBondContact O-CB 3.4Å; N54-Q58 VanDerWaalsContact O-CG 3.29Å; N54-Q58 WeakPolarHBondContact O-CG 3.45Å; N54-Q58 PolarHBondContact O-N 3.49Å; N54-Q58 PolarHBondContact OD1-NE2 3.34Å; L55-Q58 PolarHBondContact O-N 3.14Å; Q58-R60 VanDerWaalsContact C-N 3.3Å; Q58-R60 PolarHBondContact O-N 3.02Å; Q58-R61 VanDerWaalsContact O-CB 3.29Å; Q58-R61 WeakPolarHBondContact O-CB 2.89Å; Q58-R61 WeakPolarHBondContact O-CG 2.91Å; Q58-R61 PolarHBondContact O-N 3.04Å; Q58-R61 VanDerWaalsContact O-N 3.16Å; Q58-N64 WeakPolarHBondContact O-CB 3.25Å; Q58-N64 PolarHBondContact O-ND2 2.59Å; Q58-L95 HydrophobicContact CB-CD2 4.13Å; Q58-L95 PolarHBondContact NE2-O 3.1Å; Q58-T98 HydrophobicContact CG-CG2 4.05Å
59F83.6Confident84.1Confident60 Ų6058.4 Ų58.426%0.26329%0.288SS..Hα-helixtrans-76.4-13.3178.3-75.6-61.5000114.2L55 F56 R61 N64 L68 L95L55-F59 HydrophobicContact CB-CD2 4.45Å; L55-F59 HydrophobicContact CD2-CE2 4.24Å; L55-F59 WeakPolarHBondContact O-CD2 3.5Å; L55-F59 PolarHBondContact O-N 2.82Å; F56-F59 PolarHBondContact O-N 3.37Å; F59-R61 PolarHBondContact O-N 3.45Å; F59-N64 HydrophobicContact CD1-CB 4.01Å; F59-N64 HydrophobicContact CE1-CB 4.42Å; F59-L68 HydrophobicContact CD1-CB 4.45Å; F59-L68 HydrophobicContact CD1-CD2 4.1Å; F59-L68 HydrophobicContact CE1-CB 3.97Å; F59-L68 HydrophobicContact CE1-CD2 3.89Å; F59-L68 HydrophobicContact CE1-CG 4.35Å; F59-L68 HydrophobicContact CZ-CD2 4.26Å; F59-L95 HydrophobicContact CE1-CD1 4.27Å; F59-L95 HydrophobicContact CE2-CD1 4.34Å; F59-L95 HydrophobicContact CZ-CD1 3.65Å; F59-L95 HydrophobicContact CZ-CD2 4.38Å
60R78.1Confident84.1Confident126 Ų12656.1 Ų56.148%0.47527%0.274SS..THydrogen-bonded Turntrans-66.5-12.3166-76.4178.171.917710.2113.2F56 E57 Q58F56-R60 HydrophobicContact CE1-CG 4.42Å; F56-R60 VanDerWaalsContact O-CG 3.32Å; F56-R60 WeakPolarHBondContact O-CG 3.38Å; F56-R60 PolarHBondContact O-N 2.97Å; F56-R60 VanDerWaalsContact O-N 3.13Å; E57-R60 PolarHBondContact O-N 3.42Å; Q58-R60 VanDerWaalsContact C-N 3.3Å; Q58-R60 PolarHBondContact O-N 3.02Å
61R75.6Confident84.1Confident98 Ų9855.7 Ų55.737%0.3727%0.273SS..SBendtrans-78.4126.8170.9-57.1-178.7-175.7-168.12.7109.1Q58 F59 A63 N64 A65Q58-R61 VanDerWaalsContact O-CB 3.29Å; Q58-R61 WeakPolarHBondContact O-CB 2.89Å; Q58-R61 WeakPolarHBondContact O-CG 2.91Å; Q58-R61 PolarHBondContact O-N 3.04Å; Q58-R61 VanDerWaalsContact O-N 3.16Å; F59-R61 PolarHBondContact O-N 3.45Å; R61-A63 VanDerWaalsContact C-N 3.26Å; R61-A63 PolarHBondContact O-N 3.46Å; R61-N64 HydrophobicContact CB-CB 4.48Å; R61-N64 PolarHBondContact O-N 2.57Å; R61-N64 VanDerWaalsContact O-N 3.13Å; R61-A65 PolarHBondContact O-N 2.81Å; R61-A65 VanDerWaalsContact O-N 3.15Å
62L76.3Confident84.1Confident107 Ų10755.1 Ų55.156%0.5627%0.27SS*.Hα-helixtrans-52.8-40.9-176.5-73.6165.9000113.3A65 Y66 L285L62-A65 PolarHBondContact O-N 2.93Å; L62-Y66 WeakPolarHBondContact O-CB 3.25Å; L62-Y66 PolarHBondContact O-N 2.83Å; L62-L285 HydrophobicContact CD1-CD2 4.16Å
63A77.5Confident84.1Confident3 Ų352 Ų523%0.02525%0.249CC..Hα-helixtrans-64.3-46.4179.400000112.5R61 A65 Y66 F67 Y349R61-A63 VanDerWaalsContact C-N 3.26Å; R61-A63 PolarHBondContact O-N 3.46Å; A63-A65 VanDerWaalsContact C-N 3.31Å; A63-A65 PolarHBondContact O-N 3.16Å; A63-Y66 WeakPolarHBondContact O-CB 3.18Å; A63-Y66 PolarHBondContact O-N 2.89Å; A63-Y66 VanDerWaalsContact O-N 3.14Å; A63-F67 HydrophobicContact CB-CE2 4.14Å; A63-F67 WeakPolarHBondContact O-CD2 3.45Å; A63-F67 PolarHBondContact O-N 3.44Å; A63-Y349 HydrophobicContact CB-CD2 4.19Å; A63-Y349 HydrophobicContact CB-CE2 3.41Å; A63-Y349 VanDerWaalsContact CB-CE2 3.41Å
64N82.9Confident84.3Confident8 Ų848.6 Ų48.64%0.04323%0.231CC..Hα-helixtrans-64.2-38.3179.5-68.3-9000111.6Q58 F59 R61 L68Q58-N64 WeakPolarHBondContact O-CB 3.25Å; Q58-N64 PolarHBondContact O-ND2 2.59Å; F59-N64 HydrophobicContact CD1-CB 4.01Å; F59-N64 HydrophobicContact CE1-CB 4.42Å; R61-N64 HydrophobicContact CB-CB 4.48Å; R61-N64 PolarHBondContact O-N 2.57Å; R61-N64 VanDerWaalsContact O-N 3.13Å; N64-L68 PolarHBondContact O-N 3.42Å; N64-L68 VanDerWaalsContact O-N 3.1Å
65A84.6Confident84.3Confident44 Ų4453.9 Ų53.936%0.36426%0.258SS..Hα-helixtrans-64.2-40.3173.200000112.3R61 L62 A63 L68 F69R61-A65 PolarHBondContact O-N 2.81Å; R61-A65 VanDerWaalsContact O-N 3.15Å; L62-A65 PolarHBondContact O-N 2.93Å; A63-A65 VanDerWaalsContact C-N 3.31Å; A63-A65 PolarHBondContact O-N 3.16Å; A65-L68 PolarHBondContact O-N 3.06Å; A65-F69 WeakPolarHBondContact O-CB 3.35Å; A65-F69 PolarHBondContact O-N 3.12Å
66Y85.4Confident84.5Confident32 Ų3254.1 Ų54.113%0.12526%0.259CS..Hα-helixtrans-61.7-45.8176168.8-103.5000112.5L62 A63 L68 F69 L70 F288 L291 N341 V344L62-Y66 WeakPolarHBondContact O-CB 3.25Å; L62-Y66 PolarHBondContact O-N 2.83Å; A63-Y66 WeakPolarHBondContact O-CB 3.18Å; A63-Y66 PolarHBondContact O-N 2.89Å; A63-Y66 VanDerWaalsContact O-N 3.14Å; Y66-L68 VanDerWaalsContact C-N 3.35Å; Y66-L68 PolarHBondContact O-N 3.37Å; Y66-F69 WeakPolarHBondContact O-CB 3.38Å; Y66-F69 PolarHBondContact O-N 2.93Å; Y66-L70 HydrophobicContact CD1-CD1 3.93Å; Y66-L70 HydrophobicContact CD2-CG 4.47Å; Y66-L70 HydrophobicContact CE1-CD1 3.28Å; Y66-L70 HydrophobicContact CE1-CG 4.15Å; Y66-L70 HydrophobicContact CE2-CD1 4Å; Y66-L70 HydrophobicContact CE2-CD2 4.34Å; Y66-L70 HydrophobicContact CE2-CG 4.03Å; Y66-L70 PolarHBondContact O-N 3.41Å; Y66-F288 AromaticContact CD1-CE1 3.45Å; Y66-F288 HydrophobicContact CD1-CE1 3.45Å; Y66-F288 VanDerWaalsContact CD1-CE1 3.45Å; Y66-F288 AromaticContact CD1-CZ 3.62Å; Y66-F288 HydrophobicContact CD1-CZ 3.62Å; Y66-F288 HydrophobicContact CD2-CD1 4.2Å; Y66-F288 AromaticContact CD2-CE1 3.54Å; Y66-F288 HydrophobicContact CD2-CE1 3.54Å; Y66-F288 AromaticContact CD2-CZ 3.86Å; Y66-F288 HydrophobicContact CD2-CZ 3.86Å; Y66-F288 HydrophobicContact CE1-CD1 4.45Å; Y66-F288 AromaticContact CE1-CE1 3.47Å; Y66-F288 HydrophobicContact CE1-CE1 3.47Å; Y66-F288 VanDerWaalsContact CE1-CE1 3.47Å; Y66-F288 HydrophobicContact CE1-CZ 4.13Å; Y66-F288 AromaticContact CE2-CD1 4Å; Y66-F288 HydrophobicContact CE2-CD1 4Å; Y66-F288 AromaticContact CE2-CE1 3.58Å; Y66-F288 HydrophobicContact CE2-CE1 3.58Å; Y66-F288 HydrophobicContact CE2-CZ 4.37Å; Y66-F288 AromaticContact CG-CE1 3.46Å; Y66-F288 HydrophobicContact CG-CE1 3.46Å; Y66-F288 VanDerWaalsContact CG-CE1 3.46Å; Y66-F288 HydrophobicContact CG-CE2 4.5Å; Y66-F288 AromaticContact CG-CZ 3.44Å; Y66-F288 HydrophobicContact CG-CZ 3.44Å; Y66-F288 VanDerWaalsContact CG-CZ 3.44Å; Y66-F288 AromaticContact CZ-CE1 3.53Å; Y66-L291 WeakPolarHBondContact OH-CD2 3.24Å; Y66-N341 VanDerWaalsContact CE1-OD1 3.28Å; Y66-N341 WeakPolarHBondContact CE1-OD1 3.31Å; Y66-N341 PolarHBondContact OH-OD1 3.14Å; Y66-V344 HydrophobicContact CE1-CB 4.19Å
67F85.8Confident84.3Confident2 Ų254 Ų541%0.00927%0.269CS..Hα-helixtrans-69.3-32.3178.4-62.4-58.8000113.3A63 L70 L71 L91 V344 I346A63-F67 HydrophobicContact CB-CE2 4.14Å; A63-F67 WeakPolarHBondContact O-CD2 3.45Å; A63-F67 PolarHBondContact O-N 3.44Å; F67-L70 HydrophobicContact CD1-CD1 4.12Å; F67-L70 PolarHBondContact O-N 2.95Å; F67-L71 WeakPolarHBondContact O-CB 3.18Å; F67-L71 PolarHBondContact O-N 2.69Å; F67-L91 HydrophobicContact CB-CD1 4.04Å; F67-L91 HydrophobicContact CB-CD2 4.32Å; F67-V344 WeakPolarHBondContact CE1-O 3.2Å; F67-V344 HydrophobicContact CZ-CG1 4.02Å; F67-V344 WeakPolarHBondContact CZ-O 3.47Å; F67-I346 HydrophobicContact CB-CD1 4.32Å; F67-I346 HydrophobicContact CB-CG1 4.49Å; F67-I346 HydrophobicContact CD1-CD1 3.57Å; F67-I346 HydrophobicContact CD1-CG1 3.28Å; F67-I346 HydrophobicContact CD2-CB 4.47Å; F67-I346 HydrophobicContact CD2-CD1 4.31Å; F67-I346 HydrophobicContact CD2-CG1 3.6Å; F67-I346 HydrophobicContact CE1-CB 4.35Å; F67-I346 HydrophobicContact CE1-CD1 3.91Å; F67-I346 HydrophobicContact CE1-CG1 3.15Å; F67-I346 HydrophobicContact CE2-CB 4.1Å; F67-I346 HydrophobicContact CE2-CG1 3.46Å; F67-I346 VanDerWaalsContact CE2-CG1 3.46Å; F67-I346 HydrophobicContact CG-CD1 3.81Å; F67-I346 HydrophobicContact CG-CG1 3.52Å; F67-I346 HydrophobicContact CZ-CB 4.03Å; F67-I346 HydrophobicContact CZ-CD1 4.4Å; F67-I346 HydrophobicContact CZ-CG1 3.23Å
68L88.3Confident84.4Confident65 Ų6556.9 Ų56.934%0.3428%0.283SS..Hα-helixtrans-63.8-43.7170.8-177.764.3000111F59 N64 A65 Y66 L71 I72F59-L68 HydrophobicContact CD1-CB 4.45Å; F59-L68 HydrophobicContact CD1-CD2 4.1Å; F59-L68 HydrophobicContact CE1-CB 3.97Å; F59-L68 HydrophobicContact CE1-CD2 3.89Å; F59-L68 HydrophobicContact CE1-CG 4.35Å; F59-L68 HydrophobicContact CZ-CD2 4.26Å; N64-L68 PolarHBondContact O-N 3.42Å; N64-L68 VanDerWaalsContact O-N 3.1Å; A65-L68 PolarHBondContact O-N 3.06Å; Y66-L68 VanDerWaalsContact C-N 3.35Å; Y66-L68 PolarHBondContact O-N 3.37Å; L68-L71 PolarHBondContact O-N 2.88Å; L68-I72 HydrophobicContact CG-CD1 4.46Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 2.94Å; L68-I72 VanDerWaalsContact O-N 3.08Å
69F89.1Confident84.6Confident94 Ų9457.5 Ų57.541%0.41229%0.286SS..Hα-helixtrans-62-42.9175.6175.8-105.2000112A65 Y66 I72 L73 W334A65-F69 WeakPolarHBondContact O-CB 3.35Å; A65-F69 PolarHBondContact O-N 3.12Å; Y66-F69 WeakPolarHBondContact O-CB 3.38Å; Y66-F69 PolarHBondContact O-N 2.93Å; F69-I72 WeakPolarHBondContact O-CB 3.37Å; F69-I72 PolarHBondContact O-N 2.99Å; F69-L73 HydrophobicContact CD1-CD1 4.02Å; F69-L73 HydrophobicContact CE1-CD1 3.45Å; F69-L73 VanDerWaalsContact CE1-CD1 3.45Å; F69-L73 HydrophobicContact CE1-CG 4.14Å; F69-L73 HydrophobicContact CZ-CD1 3.8Å; F69-L73 HydrophobicContact CZ-CD2 4.24Å; F69-L73 HydrophobicContact CZ-CG 4.12Å; F69-L73 PolarHBondContact O-N 2.87Å; F69-W334 HydrophobicContact CE1-CH2 4.43Å; F69-W334 AromaticContact CE1-CZ3 3.88Å; F69-W334 HydrophobicContact CE1-CZ3 3.88Å; F69-W334 HydrophobicContact CZ-CH2 4.12Å; F69-W334 AromaticContact CZ-CZ3 3.95Å; F69-W334 HydrophobicContact CZ-CZ3 3.95Å
70L87.6Confident84.6Confident1 Ų156.6 Ų56.61%0.00529%0.287CS..Hα-helixtrans-63.7-40174.5-77.1177.7000113.5Y66 F67 I72 L73 Q74 V337 N341Y66-L70 HydrophobicContact CD1-CD1 3.93Å; Y66-L70 HydrophobicContact CD2-CG 4.47Å; Y66-L70 HydrophobicContact CE1-CD1 3.28Å; Y66-L70 HydrophobicContact CE1-CG 4.15Å; Y66-L70 HydrophobicContact CE2-CD1 4Å; Y66-L70 HydrophobicContact CE2-CD2 4.34Å; Y66-L70 HydrophobicContact CE2-CG 4.03Å; Y66-L70 PolarHBondContact O-N 3.41Å; F67-L70 HydrophobicContact CD1-CD1 4.12Å; F67-L70 PolarHBondContact O-N 2.95Å; L70-I72 VanDerWaalsContact C-N 3.26Å; L70-I72 PolarHBondContact O-N 3.28Å; L70-L73 HydrophobicContact CD2-CD1 4.37Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 3.11Å; L70-L73 VanDerWaalsContact O-N 3.13Å; L70-Q74 WeakPolarHBondContact O-CG 3.45Å; L70-Q74 PolarHBondContact O-N 3.23Å; L70-V337 HydrophobicContact CD2-CG1 3.73Å; L70-N341 HydrophobicContact CD1-CB 3.93Å; L70-N341 VanDerWaalsContact CD1-ND2 3.32Å; L70-N341 WeakPolarHBondContact CD1-ND2 3.07Å; L70-N341 WeakPolarHBondContact CD1-OD1 3.17Å
71L88.5Confident84.5Confident32 Ų3252.1 Ų52.117%0.16828%0.275CS..Hα-helixtrans-59.4-41.8175.1178.462.4000110.5F67 L68 L73 Q74 L75 T87 A88F67-L71 WeakPolarHBondContact O-CB 3.18Å; F67-L71 PolarHBondContact O-N 2.69Å; L68-L71 PolarHBondContact O-N 2.88Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.01Å; L71-Q74 PolarHBondContact O-N 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 2.55Å; L71-T87 HydrophobicContact CB-CG2 4.37Å; L71-A88 HydrophobicContact CD1-CB 3.85Å; L71-A88 HydrophobicContact CD2-CB 4.38Å
72I90.2Very high84.8Confident95 Ų9548 Ų4849%0.48726%0.26SS..Hα-helixtrans-61.8-41.5175-65.5164.4000111L68 F69 L70 L75L68-I72 HydrophobicContact CG-CD1 4.46Å; L68-I72 WeakPolarHBondContact O-CG1 3.43Å; L68-I72 PolarHBondContact O-N 2.94Å; L68-I72 VanDerWaalsContact O-N 3.08Å; F69-I72 WeakPolarHBondContact O-CB 3.37Å; F69-I72 PolarHBondContact O-N 2.99Å; L70-I72 VanDerWaalsContact C-N 3.26Å; L70-I72 PolarHBondContact O-N 3.28Å; I72-L75 PolarHBondContact O-N 3.49Å
73L89Confident85.1Confident15 Ų1544.7 Ų44.78%0.07925%0.246CC..Hα-helixtrans-65.2-39.4176.4-69.3178.1000112.8F69 L70 L71 L75 I76 W334 I338F69-L73 HydrophobicContact CD1-CD1 4.02Å; F69-L73 HydrophobicContact CE1-CD1 3.45Å; F69-L73 VanDerWaalsContact CE1-CD1 3.45Å; F69-L73 HydrophobicContact CE1-CG 4.14Å; F69-L73 HydrophobicContact CZ-CD1 3.8Å; F69-L73 HydrophobicContact CZ-CD2 4.24Å; F69-L73 HydrophobicContact CZ-CG 4.12Å; F69-L73 PolarHBondContact O-N 2.87Å; L70-L73 HydrophobicContact CD2-CD1 4.37Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 3.11Å; L70-L73 VanDerWaalsContact O-N 3.13Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 3.01Å; L73-L75 PolarHBondContact O-N 2.9Å; L73-I76 HydrophobicContact CD2-CD1 4.33Å; L73-I76 WeakPolarHBondContact O-CB 3.35Å; L73-I76 PolarHBondContact O-N 3.19Å; L73-I76 VanDerWaalsContact O-N 3.09Å; L73-W334 HydrophobicContact CD1-CD2 4.49Å; L73-W334 HydrophobicContact CD1-CE3 3.56Å; L73-W334 HydrophobicContact CD1-CZ3 3.84Å; L73-W334 HydrophobicContact CD2-CE3 4.4Å; L73-I338 HydrophobicContact CB-CD1 4.41Å
74Q88Confident85.3Confident6 Ų651.6 Ų51.63%0.02827%0.272CS..Hα-helixtrans-67.1-19.6177.7-76.9-177.8-24.400113.9L70 L71 I76 S80 T87 I338L70-Q74 WeakPolarHBondContact O-CG 3.45Å; L70-Q74 PolarHBondContact O-N 3.23Å; L71-Q74 PolarHBondContact O-N 3.28Å; Q74-I76 PolarHBondContact O-N 3.1Å; Q74-S80 VanDerWaalsContact O-CB 3.32Å; Q74-S80 WeakPolarHBondContact O-CB 3.26Å; Q74-S80 PolarHBondContact O-OG 2.82Å; Q74-T87 PolarHBondContact NE2-OG1 3.08Å; Q74-T87 PolarHBondContact OE1-OG1 3.37Å; Q74-I338 HydrophobicContact CG-CD1 3.88Å; Q74-I338 HydrophobicContact CG-CG1 4.09Å; Q74-I338 HydrophobicContact CG-CG2 3.87Å
75L87.9Confident85.2Confident111 Ų11154.3 Ų54.358%0.58128%0.283SS*.THydrogen-bonded Turntrans-75.7-10.9173.7-67.2171.6000112.7L71 I72 L73 P77 W84L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 2.55Å; I72-L75 PolarHBondContact O-N 3.49Å; L73-L75 PolarHBondContact O-N 2.9Å; L75-P77 WeakPolarHBondContact O-CD 3.23Å; L75-W84 HydrophobicContact CD2-CB 4.06Å; L75-W84 HydrophobicContact CD2-CG 4.33Å
76I88.9Confident84.9Confident63 Ų6352.9 Ų52.932%0.32327%0.27SS..  trans-88.6111.7178.6-55.7174.1000109.3L73 Q74 Q78 I79 S80L73-I76 HydrophobicContact CD2-CD1 4.33Å; L73-I76 WeakPolarHBondContact O-CB 3.35Å; L73-I76 PolarHBondContact O-N 3.19Å; L73-I76 VanDerWaalsContact O-N 3.09Å; Q74-I76 PolarHBondContact O-N 3.1Å; I76-Q78 VanDerWaalsContact C-N 3.3Å; I76-Q78 PolarHBondContact O-N 3.31Å; I76-I79 HydrophobicContact CB-CD1 4.33Å; I76-I79 HydrophobicContact CD1-CD1 4.22Å; I76-I79 HydrophobicContact CG2-CD1 3.97Å; I76-I79 HydrophobicContact CG2-CG1 4.25Å; I76-I79 PolarHBondContact O-N 3.24Å; I76-S80 WeakPolarHBondContact O-CB 3.4Å; I76-S80 PolarHBondContact O-N 3.41Å; I76-S80 VanDerWaalsContact O-N 3.09Å
77P83.1Confident84.7Confident106 Ų10651.6 Ų51.669%0.68827%0.265SS*.THydrogen-bonded Turntrans-60.3-33.5-172-24.634.4000114.6L75 I79L75-P77 WeakPolarHBondContact O-CD 3.23Å; P77-I79 PolarHBondContact O-N 2.86Å
78Q80.3Confident84.7Confident125 Ų12551.9 Ų51.958%0.58427%0.269SS*.THydrogen-bonded Turntrans-72.5-13.4-176.8-60.886.3-5.100114.2I76I76-Q78 VanDerWaalsContact C-N 3.3Å; I76-Q78 PolarHBondContact O-N 3.31Å
79I85.5Confident84.3Confident14 Ų1453.7 Ų53.77%0.07228%0.278CS..THydrogen-bonded Turntrans-116.5-22.5-175.9-61.6168.4000110.6I76 P77 S81 L331 W334 S335 I338I76-I79 HydrophobicContact CB-CD1 4.33Å; I76-I79 HydrophobicContact CD1-CD1 4.22Å; I76-I79 HydrophobicContact CG2-CD1 3.97Å; I76-I79 HydrophobicContact CG2-CG1 4.25Å; I76-I79 PolarHBondContact O-N 3.24Å; P77-I79 PolarHBondContact O-N 2.86Å; I79-S81 PolarHBondContact O-N 2.72Å; I79-S81 VanDerWaalsContact O-N 3.07Å; I79-L331 HydrophobicContact CD1-CD2 4.14Å; I79-L331 HydrophobicContact CG1-CD2 3.77Å; I79-W334 HydrophobicContact CD1-CB 4.21Å; I79-W334 HydrophobicContact CG1-CB 4.44Å; I79-W334 HydrophobicContact CG2-CB 3.38Å; I79-S335 PolarHBondContact O-OG 3.48Å; I79-S335 VanDerWaalsContact O-OG 3.11Å; I79-I338 HydrophobicContact CG2-CD1 3.82Å
80S83.4Confident83.7Confident41 Ų4150.4 Ų50.429%0.28727%0.266SS..  trans-73.3103.7-170.9-161.50000111.6Q74 I76 L82Q74-S80 VanDerWaalsContact O-CB 3.32Å; Q74-S80 WeakPolarHBondContact O-CB 3.26Å; Q74-S80 PolarHBondContact O-OG 2.82Å; I76-S80 WeakPolarHBondContact O-CB 3.4Å; I76-S80 PolarHBondContact O-N 3.41Å; I76-S80 VanDerWaalsContact O-N 3.09Å; S80-L82 PolarHBondContact OG-O 3.47Å
81S76.9Confident83.5Confident32 Ų3250.6 Ų50.622%0.22427%0.267CS..SBendtrans-92.3-6.3171.763.60000113.2I79 V339I79-S81 PolarHBondContact O-N 2.72Å; I79-S81 VanDerWaalsContact O-N 3.07Å; S81-V339 WeakPolarHBondContact OG-CG2 3.47Å
82L81.1Confident83.3Confident11 Ų1154 Ų546%0.05828%0.284CS..SBendtrans-138140.2-179.2-71.5176000109.3S80 I338 T907 E911 I914S80-L82 PolarHBondContact OG-O 3.47Å; L82-I338 HydrophobicContact CB-CG2 4Å; L82-I338 HydrophobicContact CD1-CG2 3.96Å; L82-I338 HydrophobicContact CG-CG2 4.17Å; L82-T907 HydrophobicContact CD2-CG2 3.88Å; L82-E911 HydrophobicContact CD2-CG 4.33Å; L82-I914 HydrophobicContact CD2-CD1 3.91Å
83S82.5Confident82.9Confident39 Ų3953.3 Ų53.327%0.27328%0.281SS..  trans-57.8139.4177.7-62.70000113.1F85 T86 E911S83-F85 PolarHBondContact O-N 3.05Å; S83-F85 VanDerWaalsContact O-N 3.1Å; S83-T86 WeakPolarHBondContact O-CB 3.3Å; S83-T86 VanDerWaalsContact O-CG2 3.24Å; S83-T86 WeakPolarHBondContact O-CG2 3.45Å; S83-T86 PolarHBondContact O-N 2.88Å; S83-T86 PolarHBondContact O-OG1 2.91Å; S83-E911 PolarHBondContact OG-OE2 3.16Å; S83-E911 VanDerWaalsContact OG-OE2 3.05Å
84W83.3Confident82.4Confident148 Ų14853 Ų5356%0.56128%0.28SS*.THydrogen-bonded Turntrans-58.2-28.7-17565-92000114.6L75 T86 T87 A88L75-W84 HydrophobicContact CD2-CB 4.06Å; L75-W84 HydrophobicContact CD2-CG 4.33Å; W84-T86 PolarHBondContact O-N 2.77Å; W84-T87 PolarHBondContact O-N 2.83Å; W84-A88 HydrophobicContact CE3-CB 3.97Å; W84-A88 HydrophobicContact CZ3-CB 4.1Å; W84-A88 PolarHBondContact O-N 2.95Å
85F80.9Confident82.2Confident65 Ų6553.7 Ų53.729%0.28528%0.283SS..Hα-helixtrans-67.6-21179.858.1-101.8000112.9S83 T87 L89 W912S83-F85 PolarHBondContact O-N 3.05Å; S83-F85 VanDerWaalsContact O-N 3.1Å; F85-T87 VanDerWaalsContact C-N 3.3Å; F85-T87 PolarHBondContact O-N 2.95Å; F85-L89 WeakPolarHBondContact O-CB 3.37Å; F85-L89 PolarHBondContact O-N 3.24Å; F85-L89 VanDerWaalsContact O-N 3.13Å; F85-W912 HydrophobicContact CE2-CH2 4.14Å; F85-W912 HydrophobicContact CE2-CZ2 4.39Å; F85-W912 HydrophobicContact CE2-CZ3 4.42Å; F85-W912 HydrophobicContact CZ-CZ2 4.42Å
86T77.5Confident82.1Confident14 Ų1451.5 Ų51.59%0.08628%0.277CS..Hα-helixtrans-63.5-32.9179.763.80000112.9S83 W84 P90 T915S83-T86 WeakPolarHBondContact O-CB 3.3Å; S83-T86 VanDerWaalsContact O-CG2 3.24Å; S83-T86 WeakPolarHBondContact O-CG2 3.45Å; S83-T86 PolarHBondContact O-N 2.88Å; S83-T86 PolarHBondContact O-OG1 2.91Å; W84-T86 PolarHBondContact O-N 2.77Å; T86-P90 WeakPolarHBondContact O-CD 3.42Å; T86-P90 WeakPolarHBondContact O-CG 3.36Å; T86-T915 VanDerWaalsContact CG2-OG1 3.26Å; T86-T915 WeakPolarHBondContact CG2-OG1 3.33Å
87T81.8Confident81.7Confident4 Ų452 Ų523%0.02528%0.279CS..Hα-helixtrans-96-37.4174.9-56.70000112.3L71 Q74 W84 F85 L89 P90 L91 I346L71-T87 HydrophobicContact CB-CG2 4.37Å; Q74-T87 PolarHBondContact NE2-OG1 3.08Å; Q74-T87 PolarHBondContact OE1-OG1 3.37Å; W84-T87 PolarHBondContact O-N 2.83Å; F85-T87 VanDerWaalsContact C-N 3.3Å; F85-T87 PolarHBondContact O-N 2.95Å; T87-L89 PolarHBondContact O-N 2.83Å; T87-P90 WeakPolarHBondContact O-CD 3.39Å; T87-L91 WeakPolarHBondContact O-CB 3.31Å; T87-L91 PolarHBondContact O-N 3.16Å; T87-I346 HydrophobicContact CG2-CD1 4.17Å
88A84.5Confident81.4Confident9 Ų947.8 Ų47.87%0.07425%0.252CS..Hα-helixtrans-62.2-45.1-176.400000112.5L71 W84 L91 I92L71-A88 HydrophobicContact CD1-CB 3.85Å; L71-A88 HydrophobicContact CD2-CB 4.38Å; W84-A88 HydrophobicContact CE3-CB 3.97Å; W84-A88 HydrophobicContact CZ3-CB 4.1Å; W84-A88 PolarHBondContact O-N 2.95Å; A88-L91 PolarHBondContact O-N 3.34Å; A88-I92 VanDerWaalsContact O-CG1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.33Å; A88-I92 PolarHBondContact O-N 3.4Å
89L80.7Confident81.7Confident102 Ų10242.7 Ų42.753%0.53423%0.231SC..Hα-helixtrans-64-50.2-175.4179.371.5000112.3F85 T87 L91 L93F85-L89 WeakPolarHBondContact O-CB 3.37Å; F85-L89 PolarHBondContact O-N 3.24Å; F85-L89 VanDerWaalsContact O-N 3.13Å; T87-L89 PolarHBondContact O-N 2.83Å; L89-L91 PolarHBondContact O-N 2.64Å; L89-L93 PolarHBondContact O-N 2.84Å
90P75.9Confident81.7Confident25 Ų2547 Ų4716%0.16226%0.257CS..Hα-helixtrans-59.5-42.8173.2-25.334.6000113.1T86 T87 L93 V94 I346T86-P90 WeakPolarHBondContact O-CD 3.42Å; T86-P90 WeakPolarHBondContact O-CG 3.36Å; T87-P90 WeakPolarHBondContact O-CD 3.39Å; P90-L93 PolarHBondContact O-N 3.32Å; P90-V94 WeakPolarHBondContact O-CG2 3.31Å; P90-V94 PolarHBondContact O-N 3.44Å; P90-I346 HydrophobicContact CB-CB 4.35Å; P90-I346 HydrophobicContact CB-CD1 3.97Å; P90-I346 HydrophobicContact CB-CG2 4.05Å
91L82.9Confident81.4Confident6 Ų647.5 Ų47.53%0.03126%0.255CS..Hα-helixtrans-62-46.3-178.2-178.560.6000111.7F67 T87 A88 L89 L93 V94 L95F67-L91 HydrophobicContact CB-CD1 4.04Å; F67-L91 HydrophobicContact CB-CD2 4.32Å; T87-L91 WeakPolarHBondContact O-CB 3.31Å; T87-L91 PolarHBondContact O-N 3.16Å; A88-L91 PolarHBondContact O-N 3.34Å; L89-L91 PolarHBondContact O-N 2.64Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.86Å; L91-V94 PolarHBondContact O-N 2.72Å; L91-L95 HydrophobicContact CD1-CD1 4.12Å; L91-L95 HydrophobicContact CD1-CG 4.16Å; L91-L95 HydrophobicContact CG-CD1 4Å; L91-L95 HydrophobicContact CG-CG 4.44Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 3.26Å
92I85.4Confident81.4Confident103 Ų10347.5 Ų47.553%0.52825%0.252SS..Hα-helixtrans-59.4-45.8176.6-69.8167.4000110.2A88 V94 L95 S96A88-I92 VanDerWaalsContact O-CG1 3.31Å; A88-I92 WeakPolarHBondContact O-CG1 3.33Å; A88-I92 PolarHBondContact O-N 3.4Å; I92-V94 VanDerWaalsContact C-N 3.33Å; I92-V94 PolarHBondContact O-N 2.82Å; I92-L95 PolarHBondContact O-N 3.48Å; I92-S96 VanDerWaalsContact O-CB 3.32Å; I92-S96 WeakPolarHBondContact O-CB 3.36Å; I92-S96 PolarHBondContact O-N 3.09Å; I92-S96 PolarHBondContact O-OG 2.9Å
93L81Confident81.6Confident81 Ų8148.3 Ų48.342%0.42426%0.26SS..Hα-helixtrans-58.8-44.2179.2-170.9153.7000111.9L89 P90 L91 M97L89-L93 PolarHBondContact O-N 2.84Å; P90-L93 PolarHBondContact O-N 3.32Å; L91-L93 VanDerWaalsContact C-N 3.32Å; L91-L93 PolarHBondContact O-N 2.86Å; L93-M97 WeakPolarHBondContact O-CB 3.41Å; L93-M97 PolarHBondContact O-N 2.94Å
94V78.1Confident81.5Confident8 Ų850.6 Ų50.65%0.04827%0.269CS..Hα-helixtrans-62.3-48.7177.6-179.60000111.5P90 L91 I92 S96 M97 T98 I346 V350P90-V94 WeakPolarHBondContact O-CG2 3.31Å; P90-V94 PolarHBondContact O-N 3.44Å; L91-V94 PolarHBondContact O-N 2.72Å; I92-V94 VanDerWaalsContact C-N 3.33Å; I92-V94 PolarHBondContact O-N 2.82Å; V94-S96 VanDerWaalsContact C-N 3.34Å; V94-M97 PolarHBondContact O-N 3.41Å; V94-T98 WeakPolarHBondContact O-CB 3.2Å; V94-T98 PolarHBondContact O-N 3.21Å; V94-T98 PolarHBondContact O-OG1 3.48Å; V94-I346 HydrophobicContact CB-CG2 4.49Å; V94-I346 HydrophobicContact CG2-CG2 3.28Å; V94-V350 HydrophobicContact CB-CG2 3.71Å; V94-V350 HydrophobicContact CG1-CG2 3.65Å; V94-V350 HydrophobicContact CG2-CG2 3.22Å
95L84.9Confident80.8Confident20 Ų2046.6 Ų46.611%0.10526%0.259CS..Hα-helixtrans-65.3-41.1-176.9-65.7175.1000110.8Q58 F59 L91 I92 A99Q58-L95 HydrophobicContact CB-CD2 4.13Å; Q58-L95 PolarHBondContact NE2-O 3.1Å; F59-L95 HydrophobicContact CE1-CD1 4.27Å; F59-L95 HydrophobicContact CE2-CD1 4.34Å; F59-L95 HydrophobicContact CZ-CD1 3.65Å; F59-L95 HydrophobicContact CZ-CD2 4.38Å; L91-L95 HydrophobicContact CD1-CD1 4.12Å; L91-L95 HydrophobicContact CD1-CG 4.16Å; L91-L95 HydrophobicContact CG-CD1 4Å; L91-L95 HydrophobicContact CG-CG 4.44Å; L91-L95 VanDerWaalsContact O-CG 3.26Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 3.26Å; I92-L95 PolarHBondContact O-N 3.48Å; L95-A99 VanDerWaalsContact O-CB 3.31Å; L95-A99 WeakPolarHBondContact O-CB 3.13Å; L95-A99 PolarHBondContact O-N 2.72Å
96S86.2Confident80.7Confident65 Ų6543.9 Ų43.946%0.45525%0.248SC..Hα-helixtrans-64.4-47176.3-65.60000112.2I92 V94 T98 A99 V100I92-S96 VanDerWaalsContact O-CB 3.32Å; I92-S96 WeakPolarHBondContact O-CB 3.36Å; I92-S96 PolarHBondContact O-N 3.09Å; I92-S96 PolarHBondContact O-OG 2.9Å; V94-S96 VanDerWaalsContact C-N 3.34Å; S96-T98 VanDerWaalsContact C-N 3.33Å; S96-T98 PolarHBondContact O-N 2.88Å; S96-A99 PolarHBondContact O-N 3.21Å; S96-V100 WeakPolarHBondContact O-CG2 2.96Å; S96-V100 PolarHBondContact O-N 2.67Å
97M79.9Confident81Confident73 Ų7348.2 Ų48.236%0.3627%0.269SS..Hα-helixtrans-63.2-41.5179.6-172.3-179.3176.700111.6L93 V94 V100 K101 V350 V354L93-M97 WeakPolarHBondContact O-CB 3.41Å; L93-M97 PolarHBondContact O-N 2.94Å; V94-M97 PolarHBondContact O-N 3.41Å; M97-V100 PolarHBondContact O-N 2.9Å; M97-K101 PolarHBondContact O-N 3.22Å; M97-K101 VanDerWaalsContact O-N 3.08Å; M97-V350 HydrophobicContact SD-CG1 3.75Å; M97-V354 HydrophobicContact CE-CG2 3.46Å; M97-V354 VanDerWaalsContact CE-CG2 3.46Å; M97-V354 HydrophobicContact SD-CG2 4.16Å
98T77.1Confident80.6Confident19 Ų1952.1 Ų52.112%0.11729%0.29CS..Hα-helixtrans-64.3-41.5175.9-53.10000111.1Q58 V94 S96 K101 D102Q58-T98 HydrophobicContact CG-CG2 4.05Å; V94-T98 WeakPolarHBondContact O-CB 3.2Å; V94-T98 PolarHBondContact O-N 3.21Å; V94-T98 PolarHBondContact O-OG1 3.48Å; S96-T98 VanDerWaalsContact C-N 3.33Å; S96-T98 PolarHBondContact O-N 2.88Å; T98-K101 PolarHBondContact O-N 2.8Å; T98-D102 PolarHBondContact O-N 2.97Å
99A85.9Confident80.1Confident17 Ų1755.5 Ų55.514%0.1430%0.301CS..Hα-helixtrans-63.2-42.9176.100000111.7F50 L95 S96 K101 D102 A103F50-A99 HydrophobicContact CE1-CB 4.44Å; F50-A99 HydrophobicContact CZ-CB 4.28Å; F50-A99 WeakPolarHBondContact CZ-O 3.46Å; L95-A99 VanDerWaalsContact O-CB 3.31Å; L95-A99 WeakPolarHBondContact O-CB 3.13Å; L95-A99 PolarHBondContact O-N 2.72Å; S96-A99 PolarHBondContact O-N 3.21Å; A99-K101 VanDerWaalsContact C-N 3.33Å; A99-K101 PolarHBondContact O-N 3.04Å; A99-D102 PolarHBondContact O-N 3.13Å; A99-A103 VanDerWaalsContact O-CB 3.26Å; A99-A103 WeakPolarHBondContact O-CB 3.15Å; A99-A103 PolarHBondContact O-N 3.27Å
100V85.1Confident80.2Confident104 Ų10453 Ų5363%0.6329%0.286SS*.Hα-helixtrans-61-42.8177170.60000111.4S96 M97 A103 N104S96-V100 WeakPolarHBondContact O-CG2 2.96Å; S96-V100 PolarHBondContact O-N 2.67Å; M97-V100 PolarHBondContact O-N 2.9Å; V100-A103 PolarHBondContact O-N 2.78Å; V100-N104 PolarHBondContact O-N 2.57Å
101K78.2Confident80.5Confident52 Ų5259.2 Ų59.223%0.22631%0.311CS..Hα-helixtrans-59.1-54.2175-179.1-167.5179.2178.90111.4M97 T98 A99 A103 N104 D105 E353 T383M97-K101 PolarHBondContact O-N 3.22Å; M97-K101 VanDerWaalsContact O-N 3.08Å; T98-K101 PolarHBondContact O-N 2.8Å; A99-K101 VanDerWaalsContact C-N 3.33Å; A99-K101 PolarHBondContact O-N 3.04Å; K101-A103 VanDerWaalsContact C-N 3.26Å; K101-A103 PolarHBondContact O-N 2.66Å; K101-N104 PolarHBondContact O-N 3.09Å; K101-N104 VanDerWaalsContact O-N 3.16Å; K101-D105 PolarHBondContact O-N 3.3Å; K101-E353 IonicContact NZ-OE2 2.79Å; K101-E353 PolarHBondContact NZ-OE2 3.39Å; K101-T383 WeakPolarHBondContact CE-OG1 3.36Å; K101-T383 PolarHBondContact NZ-OG1 2.86Å
102D77.4Confident80Confident33 Ų3361.5 Ų61.518%0.17633%0.327CS..Hα-helixtrans-63.7-33.7-177.8-69.6-22.6000111.9F50 N54 T98 A99 D106F50-D102 HydrophobicContact CE2-CB 4.42Å; N54-D102 WeakPolarHBondContact ND2-CB 3.44Å; N54-D102 PolarHBondContact ND2-OD2 3.48Å; T98-D102 PolarHBondContact O-N 2.97Å; A99-D102 PolarHBondContact O-N 3.13Å; D102-D106 PolarHBondContact O-N 2.9Å
103A84.3Confident79.8Confident27 Ų2757.1 Ų57.122%0.22331%0.305CS..Hα-helixtrans-64.4-45.7173.800000111.7F50 A99 V100 K101 D105 D106 I107F50-A103 HydrophobicContact CE1-CB 4.32Å; F50-A103 HydrophobicContact CE2-CB 3.95Å; F50-A103 HydrophobicContact CZ-CB 3.66Å; A99-A103 VanDerWaalsContact O-CB 3.26Å; A99-A103 WeakPolarHBondContact O-CB 3.15Å; A99-A103 PolarHBondContact O-N 3.27Å; V100-A103 PolarHBondContact O-N 2.78Å; K101-A103 VanDerWaalsContact C-N 3.26Å; K101-A103 PolarHBondContact O-N 2.66Å; A103-D105 PolarHBondContact O-N 2.85Å; A103-D106 PolarHBondContact O-N 3.42Å; A103-I107 WeakPolarHBondContact O-CB 3.46Å; A103-I107 WeakPolarHBondContact O-CD1 3.42Å; A103-I107 WeakPolarHBondContact O-CG1 3.44Å; A103-I107 PolarHBondContact O-N 2.96Å
104N79.7Confident80.1Confident87 Ų8761.3 Ų61.347%0.46532%0.315SS..Hα-helixtrans-62-43.4178.2-17560.4000111.8V100 K101 D106 I107 N108V100-N104 PolarHBondContact O-N 2.57Å; K101-N104 PolarHBondContact O-N 3.09Å; K101-N104 VanDerWaalsContact O-N 3.16Å; N104-D106 PolarHBondContact O-N 2.97Å; N104-I107 PolarHBondContact O-N 2.81Å; N104-N108 PolarHBondContact O-N 3.19Å; N104-N108 VanDerWaalsContact O-N 3.12Å; N104-N108 PolarHBondContact O-ND2 3.47Å
105D69.6Low80.4Confident64 Ų6467.5 Ų67.534%0.34234%0.344SS..Hα-helixtrans-62.3-42176.9-74.2-7.2000111.9K101 A103 N108 R109K101-D105 PolarHBondContact O-N 3.3Å; A103-D105 PolarHBondContact O-N 2.85Å; D105-N108 PolarHBondContact O-N 3.16Å; D105-R109 PolarHBondContact O-N 2.85Å
106D79.4Confident80.2Confident9 Ų968.3 Ų68.35%0.04835%0.349CS..Hα-helixtrans-72.7-35.1179.1-147.656.4000112K44 Y45 D102 A103 N104 N108 R109 H110K44-D106 PolarHBondContact N-OD1 2.84Å; Y45-D106 HydrophobicContact CD2-CB 4.01Å; Y45-D106 PolarHBondContact N-OD2 2.91Å; Y45-D106 VanDerWaalsContact N-OD2 3.09Å; D102-D106 PolarHBondContact O-N 2.9Å; A103-D106 PolarHBondContact O-N 3.42Å; N104-D106 PolarHBondContact O-N 2.97Å; D106-N108 VanDerWaalsContact C-N 3.31Å; D106-N108 PolarHBondContact O-N 3.37Å; D106-R109 WeakPolarHBondContact O-CB 3.43Å; D106-R109 PolarHBondContact O-N 3.41Å; D106-R109 VanDerWaalsContact O-N 3.15Å; D106-H110 PolarHBondContact O-CD2 2.96Å; D106-H110 PolarHBondContact O-N 3.26Å; D106-H110 IonicContact OD2-CD2 2.79Å; D106-H110 IonicContact OD2-NE2 2.82Å; D106-H110 PolarHBondContact OD2-NE2 2.88Å
107I82.3Confident80.4Confident104 Ų10466.1 Ų66.153%0.53333%0.332SS..Hα-helixtrans-57.9-44.2172.6-73.1164.4000110.8A103 N104 R109 H110 K111A103-I107 WeakPolarHBondContact O-CB 3.46Å; A103-I107 WeakPolarHBondContact O-CD1 3.42Å; A103-I107 WeakPolarHBondContact O-CG1 3.44Å; A103-I107 PolarHBondContact O-N 2.96Å; N104-I107 PolarHBondContact O-N 2.81Å; I107-R109 VanDerWaalsContact C-N 3.32Å; I107-R109 PolarHBondContact O-N 3.11Å; I107-H110 PolarHBondContact O-N 3.22Å; I107-K111 PolarHBondContact O-N 3.37Å
108N74.2Confident80.9Confident87 Ų8765.9 Ų65.947%0.46533%0.332SS..Hα-helixtrans-62.7-38.5177.1-73.3-34.1000112N104 D105 D106 K111 S112N104-N108 PolarHBondContact O-N 3.19Å; N104-N108 VanDerWaalsContact O-N 3.12Å; N104-N108 PolarHBondContact O-ND2 3.47Å; D105-N108 PolarHBondContact O-N 3.16Å; D106-N108 VanDerWaalsContact C-N 3.31Å; D106-N108 PolarHBondContact O-N 3.37Å; N108-K111 PolarHBondContact O-N 2.95Å; N108-S112 PolarHBondContact O-N 3.17Å
109R74.4Confident81.4Confident79 Ų7968.6 Ų68.630%0.29834%0.34SS..Hα-helixtrans-65.2-45.1173.4-68.4179.6-173.8172.28112.4D105 D106 I107 K111 S112 D113D105-R109 PolarHBondContact O-N 2.85Å; D106-R109 WeakPolarHBondContact O-CB 3.43Å; D106-R109 PolarHBondContact O-N 3.41Å; D106-R109 VanDerWaalsContact O-N 3.15Å; I107-R109 VanDerWaalsContact C-N 3.32Å; I107-R109 PolarHBondContact O-N 3.11Å; R109-K111 VanDerWaalsContact C-N 3.27Å; R109-K111 PolarHBondContact O-N 2.82Å; R109-S112 PolarHBondContact O-N 2.84Å; R109-D113 WeakPolarHBondContact O-CB 3.43Å; R109-D113 PolarHBondContact O-N 3.45Å
110H82.4Confident81.7Confident51 Ų5172 Ų7224%0.23636%0.355CS..Hα-helixtrans-59.8-37.8175.1-79.3-74.6000112S43 Y45 D106 I107 R114S43-H110 WeakPolarHBondContact CB-CE1 3.1Å; S43-H110 VanDerWaalsContact CB-NE2 3.27Å; S43-H110 WeakPolarHBondContact CB-NE2 3.24Å; S43-H110 PolarHBondContact OG-CE1 3.39Å; S43-H110 PolarHBondContact OG-NE2 3.35Å; Y45-H110 PolarHBondContact O-NE2 2.85Å; D106-H110 PolarHBondContact O-CD2 2.96Å; D106-H110 PolarHBondContact O-N 3.26Å; D106-H110 IonicContact OD2-CD2 2.79Å; D106-H110 IonicContact OD2-NE2 2.82Å; D106-H110 PolarHBondContact OD2-NE2 2.88Å; I107-H110 PolarHBondContact O-N 3.22Å; H110-R114 WeakPolarHBondContact O-CB 3.33Å; H110-R114 VanDerWaalsContact O-CG 3.25Å; H110-R114 WeakPolarHBondContact O-CG 3.32Å; H110-R114 PolarHBondContact O-N 3.34Å
111K82.3Confident82.1Confident154 Ų15467.2 Ų67.267%0.6733%0.326SS*.Hα-helixtrans-63.7-45.9175.3-171.2178.8178.7-177.70111.5I107 N108 R109 R114 Q115I107-K111 PolarHBondContact O-N 3.37Å; N108-K111 PolarHBondContact O-N 2.95Å; R109-K111 VanDerWaalsContact C-N 3.27Å; R109-K111 PolarHBondContact O-N 2.82Å; K111-R114 PolarHBondContact O-N 2.98Å; K111-Q115 PolarHBondContact O-N 3.17Å
112S73.1Confident82.9Confident54 Ų5466.2 Ų66.238%0.37832%0.323SS..Hα-helixtrans-62.8-47.7176.6-171.40000112.1N108 R109 R114 Q115 V116N108-S112 PolarHBondContact O-N 3.17Å; R109-S112 PolarHBondContact O-N 2.84Å; S112-R114 VanDerWaalsContact C-N 3.33Å; S112-R114 PolarHBondContact O-N 3.03Å; S112-Q115 WeakPolarHBondContact O-CB 3.34Å; S112-Q115 PolarHBondContact O-N 2.87Å; S112-Q115 VanDerWaalsContact O-N 3.15Å; S112-V116 PolarHBondContact O-N 3.07Å
113D81.3Confident83.7Confident12 Ų1264.6 Ų64.66%0.06431%0.314CS..Hα-helixtrans-59.7-43.6177.8-73-11.5000110.9T42 S43 R109 Q115 V116 N117T42-D113 WeakPolarHBondContact CB-OD1 3.39Å; T42-D113 WeakPolarHBondContact CG2-OD1 3.37Å; T42-D113 PolarHBondContact N-OD1 2.75Å; T42-D113 PolarHBondContact N-OD2 3.33Å; T42-D113 VanDerWaalsContact OG1-CG 3.26Å; T42-D113 PolarHBondContact OG1-OD1 3.23Å; T42-D113 PolarHBondContact OG1-OD2 2.95Å; S43-D113 PolarHBondContact N-OD2 3.48Å; R109-D113 WeakPolarHBondContact O-CB 3.43Å; R109-D113 PolarHBondContact O-N 3.45Å; D113-Q115 VanDerWaalsContact C-N 3.32Å; D113-Q115 PolarHBondContact O-N 2.92Å; D113-V116 PolarHBondContact O-N 3.09Å; D113-N117 VanDerWaalsContact O-CB 3.22Å; D113-N117 WeakPolarHBondContact O-CB 3.46Å; D113-N117 PolarHBondContact O-N 3.44Å; D113-N117 PolarHBondContact O-ND2 3.2Å; D113-N117 VanDerWaalsContact O-ND2 3.13Å
114R85.9Confident84Confident168 Ų16863.6 Ų63.663%0.63431%0.305SS*.Hα-helixtrans-62.3-37.6176.2-77.9179.7-161.8-176.36.3112.6H110 K111 S112 N118H110-R114 WeakPolarHBondContact O-CB 3.33Å; H110-R114 VanDerWaalsContact O-CG 3.25Å; H110-R114 WeakPolarHBondContact O-CG 3.32Å; H110-R114 PolarHBondContact O-N 3.34Å; K111-R114 PolarHBondContact O-N 2.98Å; S112-R114 VanDerWaalsContact C-N 3.33Å; S112-R114 PolarHBondContact O-N 3.03Å; R114-N118 WeakPolarHBondContact O-CB 3.47Å; R114-N118 VanDerWaalsContact O-CG 3.32Å; R114-N118 PolarHBondContact O-N 3.08Å; R114-N118 PolarHBondContact O-ND2 3.25Å
115Q83.9Confident84.4Confident139 Ų13960.4 Ų60.465%0.6529%0.288SS*.Hα-helixtrans-64.2-42.2179.5-173.3178.6-2.400111.4K111 S112 D113K111-Q115 PolarHBondContact O-N 3.17Å; S112-Q115 WeakPolarHBondContact O-CB 3.34Å; S112-Q115 PolarHBondContact O-N 2.87Å; S112-Q115 VanDerWaalsContact O-N 3.15Å; D113-Q115 VanDerWaalsContact C-N 3.32Å; D113-Q115 PolarHBondContact O-N 2.92Å
116V82.6Confident85Confident36 Ų3664.2 Ų64.222%0.21831%0.308CS..Hα-helixtrans-73.6-45.9178.2178.30000111.3I40 S112 D113 N118 R119 W134I40-V116 HydrophobicContact CD1-CG1 4.31Å; S112-V116 PolarHBondContact O-N 3.07Å; D113-V116 PolarHBondContact O-N 3.09Å; V116-N118 VanDerWaalsContact C-N 3.29Å; V116-N118 PolarHBondContact O-N 3.34Å; V116-R119 WeakPolarHBondContact O-CB 3.43Å; V116-R119 WeakPolarHBondContact O-CG 3.4Å; V116-R119 PolarHBondContact O-N 3.2Å; V116-W134 HydrophobicContact CG1-CE3 4.01Å; V116-W134 HydrophobicContact CG1-CZ3 4.12Å
117N88.6Confident85.1Confident19 Ų1965 Ų6510%0.10232%0.318CS..Hα-helixtrans-67.9-26.6-175.8-72.2-26.2000113.7I40 D113 W134 M135I40-N117 PolarHBondContact N-OD1 2.73Å; I40-N117 PolarHBondContact O-ND2 2.85Å; D113-N117 VanDerWaalsContact O-CB 3.22Å; D113-N117 WeakPolarHBondContact O-CB 3.46Å; D113-N117 PolarHBondContact O-N 3.44Å; D113-N117 PolarHBondContact O-ND2 3.2Å; D113-N117 VanDerWaalsContact O-ND2 3.13Å; N117-W134 PolarHBondContact O-N 2.77Å; N117-M135 HydrophobicContact CB-CB 4.08Å; N117-M135 HydrophobicContact CB-SD 4.38Å; N117-M135 PolarHBondContact O-N 2.85Å
118N90.8Very high85.5Confident68 Ų6864 Ų6436%0.36432%0.317SS..THydrogen-bonded Turntrans-91.24.5177.2-71-48.8000113.9R114 V116 K133R114-N118 WeakPolarHBondContact O-CB 3.47Å; R114-N118 VanDerWaalsContact O-CG 3.32Å; R114-N118 PolarHBondContact O-N 3.08Å; R114-N118 PolarHBondContact O-ND2 3.25Å; V116-N118 VanDerWaalsContact C-N 3.29Å; V116-N118 PolarHBondContact O-N 3.34Å; N118-K133 WeakPolarHBondContact OD1-CD 3.49Å; N118-K133 PolarHBondContact OD1-NZ 2.8Å; N118-K133 VanDerWaalsContact OD1-NZ 3.12Å
119R88.4Confident86.3Confident76 Ų7662 Ų6229%0.28731%0.306SS..  trans-59.3144.7169.7-70.5-178.6-179-174.8-1.3109.2V116 K133 W134V116-R119 WeakPolarHBondContact O-CB 3.43Å; V116-R119 WeakPolarHBondContact O-CG 3.4Å; V116-R119 PolarHBondContact O-N 3.2Å; R119-K133 CarbonylContact O-C 3.42Å; R119-K133 WeakPolarHBondContact O-CA 3.47Å; R119-W134 VanDerWaalsContact C-CD1 3.45Å; R119-W134 HydrophobicContact CB-CD2 3.7Å; R119-W134 HydrophobicContact CB-CE3 4.44Å; R119-W134 HydrophobicContact CB-CG 3.72Å; R119-W134 HydrophobicContact CB-CZ2 4.29Å; R119-W134 PolarHBondContact O-N 2.66Å
120M91.9Very high87.2Confident89 Ų8962.3 Ų62.344%0.43831%0.309SS..EExtended strand (participates in β ladder)trans-100147.1-174.6-63.2-59-6300110.5N131 E132 K133M120-N131 WeakPolarHBondContact CB-OD1 3.46Å; M120-N131 HydrophobicContact CE-CB 4.2Å; M120-N131 WeakPolarHBondContact CE-OD1 3.16Å; M120-E132 CarbonylContact C-O 3.49Å; M120-E132 WeakPolarHBondContact CA-O 3.29Å; M120-K133 HydrophobicContact SD-CG 3.71Å
121V93.8Very high87.7Confident3 Ų364.3 Ų64.32%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-152.7149.1173.974.20000110.9V123 N131 E132 V137 V143 L145 T152V121-V123 HydrophobicContact CG1-CG2 3.89Å; V121-N131 PolarHBondContact N-OD1 2.89Å; V121-N131 PolarHBondContact O-OD1 3.03Å; V121-E132 PolarHBondContact N-O 2.98Å; V121-E132 PolarHBondContact O-N 3.13Å; V121-V137 HydrophobicContact CG1-CG2 3.81Å; V121-V143 HydrophobicContact CB-CG1 4.29Å; V121-V143 HydrophobicContact CG1-CG1 4.05Å; V121-V143 HydrophobicContact CG2-CG1 3.26Å; V121-L145 HydrophobicContact CG2-CD2 3.85Å; V121-T152 HydrophobicContact CB-CG2 3.74Å; V121-T152 HydrophobicContact CG1-CG2 3.94Å; V121-T152 HydrophobicContact CG2-CG2 3.59Å
122N94.8Very high88.3Confident31 Ų3159.6 Ų59.617%0.16630%0.303CS..EExtended strand (participates in β ladder)trans-81.1121.1176.5-66.2-37.5000110.5L129 V143 K144N122-L129 HydrophobicContact CB-CD2 4.33Å; N122-V143 CarbonylContact O-C 3.52Å; N122-V143 WeakPolarHBondContact O-CA 3.4Å; N122-V143 WeakPolarHBondContact O-CG1 3.14Å; N122-K144 HydrophobicContact CB-CB 4.08Å; N122-K144 PolarHBondContact O-N 3.03Å
123V94Very high89.3Confident0 Ų061 Ų610%030%0.302CS..EExtended strand (participates in β ladder)trans-117.8136.1179.3-172.60000109.4V121 I125 K130 E132 V137 D141 V143V121-V123 HydrophobicContact CG1-CG2 3.89Å; V123-I125 HydrophobicContact CB-CD1 4.32Å; V123-I125 HydrophobicContact CB-CG1 4.25Å; V123-I125 HydrophobicContact CG1-CD1 4.19Å; V123-I125 HydrophobicContact CG1-CG1 3.85Å; V123-I125 PolarHBondContact O-N 3.31Å; V123-K130 PolarHBondContact N-O 2.97Å; V123-K130 PolarHBondContact O-N 2.75Å; V123-E132 HydrophobicContact CB-CB 4.49Å; V123-E132 HydrophobicContact CG2-CB 3.91Å; V123-E132 HydrophobicContact CG2-CG 4.5Å; V123-V137 HydrophobicContact CG2-CG2 4.08Å; V123-D141 HydrophobicContact CG1-CB 3.86Å; V123-V143 HydrophobicContact CG2-CG2 4.37Å
124L91.1Very high89.8Confident6 Ų661 Ų613%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-79.8110.1175.4-174.263.8000109.7L129 I142 I196 L199L124-L129 HydrophobicContact CB-CD2 4.33Å; L124-L129 HydrophobicContact CD1-CD2 4.49Å; L124-L129 HydrophobicContact CD1-CG 4.47Å; L124-I142 HydrophobicContact CB-CB 4.14Å; L124-I142 HydrophobicContact CB-CG2 4.45Å; L124-I142 HydrophobicContact CD2-CB 4.36Å; L124-I142 HydrophobicContact CD2-CD1 4.39Å; L124-I142 HydrophobicContact CD2-CG2 4.45Å; L124-I142 PolarHBondContact N-O 2.75Å; L124-I196 HydrophobicContact CD1-CG2 3.59Å; L124-L199 HydrophobicContact CD2-CB 3.89Å
125I86.9Confident90.1Very high20 Ų2056.7 Ų56.710%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-131.9123.5-178.8-55.7176.7000108.2V123 G127 V128 K130 E132V123-I125 HydrophobicContact CB-CD1 4.32Å; V123-I125 HydrophobicContact CB-CG1 4.25Å; V123-I125 HydrophobicContact CG1-CD1 4.19Å; V123-I125 HydrophobicContact CG1-CG1 3.85Å; V123-I125 PolarHBondContact O-N 3.31Å; I125-G127 PolarHBondContact O-N 3.27Å; I125-V128 PolarHBondContact N-O 3.49Å; I125-V128 PolarHBondContact O-N 2.91Å; I125-V128 VanDerWaalsContact O-N 3.1Å; I125-V128 VanDerWaalsContact O-O 3.08Å; I125-K130 HydrophobicContact CB-CD 4.18Å; I125-E132 HydrophobicContact CD1-CG 4.08Å
126D82.7Confident90.6Very high143 Ų14353.5 Ų53.577%0.76528%0.276SS*.THydrogen-bonded Turntrans54.138.6179.8-48.1-45.2000113.2V128 K130D126-V128 VanDerWaalsContact C-N 3.29Å; D126-V128 PolarHBondContact O-N 3.31Å; D126-K130 IonicContact OD2-NZ 3.08Å
127G82.6Confident91Very high26 Ų2651.9 Ų51.927%0.26827%0.266SS..THydrogen-bonded Turntrans776.7-179.800000115.4I125 I196 S200I125-G127 PolarHBondContact O-N 3.27Å; G127-I196 VanDerWaalsContact O-CG2 3.27Å; G127-I196 WeakPolarHBondContact O-CG2 3.41Å; G127-S200 WeakPolarHBondContact CA-OG 3.3Å
128V89.3Confident91.2Very high83 Ų8354.1 Ų54.150%0.50328%0.276SS..EExtended strand (participates in β ladder)trans-124.4138.5177.6-179.20000110.6I125 D126 K130I125-V128 PolarHBondContact N-O 3.49Å; I125-V128 PolarHBondContact O-N 2.91Å; I125-V128 VanDerWaalsContact O-N 3.1Å; I125-V128 VanDerWaalsContact O-O 3.08Å; D126-V128 VanDerWaalsContact C-N 3.29Å; D126-V128 PolarHBondContact O-N 3.31Å; V128-K130 HydrophobicContact CG1-CG 4.49Å; V128-K130 PolarHBondContact O-N 3.41Å
129L91.4Very high91.3Very high46 Ų4651.2 Ų51.224%0.24126%0.261CS..EExtended strand (participates in β ladder)trans-73.3111169.9-76.3169000109.8N122 L124 K144 I196 F250N122-L129 HydrophobicContact CB-CD2 4.33Å; L124-L129 HydrophobicContact CB-CD2 4.33Å; L124-L129 HydrophobicContact CD1-CD2 4.49Å; L124-L129 HydrophobicContact CD1-CG 4.47Å; L129-K144 HydrophobicContact CD1-CD 3.83Å; L129-K144 HydrophobicContact CD2-CB 4.03Å; L129-I196 HydrophobicContact CD1-CD1 3.83Å; L129-I196 HydrophobicContact CD1-CG1 4.24Å; L129-I196 HydrophobicContact CG-CD1 4.3Å; L129-F250 HydrophobicContact CD1-CE1 4.49Å; L129-F250 HydrophobicContact CD1-CZ 4.49Å; L129-F250 HydrophobicContact CD2-CE1 4.19Å
130K92.6Very high91.5Very high84 Ų8447.7 Ų47.737%0.36525%0.248SC..EExtended strand (participates in β ladder)trans-108.2137.7176.2-66.4-179-172.9162.90109.6V123 I125 D126 V128 E132V123-K130 PolarHBondContact N-O 2.97Å; V123-K130 PolarHBondContact O-N 2.75Å; I125-K130 HydrophobicContact CB-CD 4.18Å; D126-K130 IonicContact OD2-NZ 3.08Å; V128-K130 HydrophobicContact CG1-CG 4.49Å; V128-K130 PolarHBondContact O-N 3.41Å; K130-E132 PolarHBondContact O-N 3.26Å
131N93.6Very high91.6Very high93 Ų9343.6 Ų43.650%0.49723%0.228SC..EExtended strand (participates in β ladder)trans-82.1113176.5-162.3-3.3000109.7M120 V121M120-N131 WeakPolarHBondContact CB-OD1 3.46Å; M120-N131 HydrophobicContact CE-CB 4.2Å; M120-N131 WeakPolarHBondContact CE-OD1 3.16Å; V121-N131 PolarHBondContact N-OD1 2.89Å; V121-N131 PolarHBondContact O-OD1 3.03Å
132E94.3Very high91.6Very high56 Ų5643.4 Ų43.426%0.26223%0.227SC..EExtended strand (participates in β ladder)trans-121.8157.3-172.5-82.5-65.6163.800112.1M120 V121 V123 I125 K130 N136M120-E132 CarbonylContact C-O 3.49Å; M120-E132 WeakPolarHBondContact CA-O 3.29Å; V121-E132 PolarHBondContact N-O 2.98Å; V121-E132 PolarHBondContact O-N 3.13Å; V123-E132 HydrophobicContact CB-CB 4.49Å; V123-E132 HydrophobicContact CG2-CB 3.91Å; V123-E132 HydrophobicContact CG2-CG 4.5Å; I125-E132 HydrophobicContact CD1-CG 4.08Å; K130-E132 PolarHBondContact O-N 3.26Å; E132-N136 WeakPolarHBondContact OE2-CB 3.13Å; E132-N136 PolarHBondContact OE2-ND2 2.89Å
133K94.1Very high91.6Very high83 Ų8342 Ų4236%0.36122%0.219SC..EExtended strand (participates in β ladder)trans-76.5147.3174.6-67.1178.5177.8-171.90110.5N118 R119 M120 M135 N136N118-K133 WeakPolarHBondContact OD1-CD 3.49Å; N118-K133 PolarHBondContact OD1-NZ 2.8Å; N118-K133 VanDerWaalsContact OD1-NZ 3.12Å; R119-K133 CarbonylContact O-C 3.42Å; R119-K133 WeakPolarHBondContact O-CA 3.47Å; M120-K133 HydrophobicContact SD-CG 3.71Å; K133-M135 HydrophobicContact CB-CG 4.03Å; K133-M135 PolarHBondContact O-N 2.95Å; K133-M135 VanDerWaalsContact O-N 3.12Å; K133-N136 WeakPolarHBondContact O-CB 3.45Å; K133-N136 PolarHBondContact O-N 2.74Å
134W93.2Very high91.7Very high13 Ų1343.3 Ų43.35%0.04923%0.225CC..G310 helixtrans-51.7-39.5176.9-81.626.6000113N38 V116 N117 R119 N136 V137 F150 T152N38-W134 WeakPolarHBondContact CB-O 3.29Å; N38-W134 PolarHBondContact ND2-O 2.98Å; V116-W134 HydrophobicContact CG1-CE3 4.01Å; V116-W134 HydrophobicContact CG1-CZ3 4.12Å; N117-W134 PolarHBondContact O-N 2.77Å; R119-W134 VanDerWaalsContact C-CD1 3.45Å; R119-W134 HydrophobicContact CB-CD2 3.7Å; R119-W134 HydrophobicContact CB-CE3 4.44Å; R119-W134 HydrophobicContact CB-CG 3.72Å; R119-W134 HydrophobicContact CB-CZ2 4.29Å; R119-W134 PolarHBondContact O-N 2.66Å; W134-N136 PolarHBondContact O-N 2.86Å; W134-V137 WeakPolarHBondContact O-CB 3.43Å; W134-V137 PolarHBondContact O-N 3.42Å; W134-F150 HydrophobicContact CH2-CB 3.7Å; W134-F150 HydrophobicContact CZ2-CB 3.8Å; W134-T152 HydrophobicContact CD2-CG2 4.15Å; W134-T152 VanDerWaalsContact CE2-CG2 3.42Å; W134-T152 HydrophobicContact CG-CG2 4.35Å; W134-T152 HydrophobicContact CZ2-CG2 3.72Å
135M92.1Very high91.8Very high77 Ų7743 Ų4338%0.37922%0.224SC..G310 helixtrans-65-20.6178.363.6-179.7-6800114.9A39 N117 K133A39-M135 HydrophobicContact CB-CB 4Å; N117-M135 HydrophobicContact CB-CB 4.08Å; N117-M135 HydrophobicContact CB-SD 4.38Å; N117-M135 PolarHBondContact O-N 2.85Å; K133-M135 HydrophobicContact CB-CG 4.03Å; K133-M135 PolarHBondContact O-N 2.95Å; K133-M135 VanDerWaalsContact O-N 3.12Å
136N93Very high92.1Very high71 Ų7146.3 Ų46.338%0.3824%0.238SC..G310 helixtrans-91.5-11.3-178.8-66-13.5000112.9E132 K133 W134E132-N136 WeakPolarHBondContact OE2-CB 3.13Å; E132-N136 PolarHBondContact OE2-ND2 2.89Å; K133-N136 WeakPolarHBondContact O-CB 3.45Å; K133-N136 PolarHBondContact O-N 2.74Å; W134-N136 PolarHBondContact O-N 2.86Å
137V92.4Very high92.3Very high2 Ų241.7 Ų41.71%0.01222%0.217CC..  trans-66.8132.6177.4-179.90000109.8N38 V121 V123 W134 V143 V253N38-V137 HydrophobicContact CB-CB 4.26Å; N38-V137 VanDerWaalsContact CB-O 3.23Å; N38-V137 WeakPolarHBondContact CB-O 3.25Å; V121-V137 HydrophobicContact CG1-CG2 3.81Å; V123-V137 HydrophobicContact CG2-CG2 4.08Å; W134-V137 WeakPolarHBondContact O-CB 3.43Å; W134-V137 PolarHBondContact O-N 3.42Å; V137-V143 HydrophobicContact CG1-CG2 4.2Å; V137-V253 HydrophobicContact CG1-CG1 4.5Å; V137-V253 HydrophobicContact CG1-CG2 3.63Å
138Q92.3Very high92.3Very high66 Ų6644.7 Ų44.731%0.30823%0.227SC..  trans-115.5159.9-179.2-59.4-169.9-0.300111.9G140 D141 V253Q138-G140 PolarHBondContact O-N 3.05Å; Q138-D141 PolarHBondContact N-OD2 2.84Å; Q138-D141 WeakPolarHBondContact O-CB 3.38Å; Q138-D141 PolarHBondContact O-N 3.08Å; Q138-V253 WeakPolarHBondContact O-CB 3.39Å
139V92.9Very high92.3Very high8 Ų843.2 Ų43.25%0.04822%0.215CC..THydrogen-bonded Turntrans-64.6130.3173.8175.70000109.6V22 N30 Y35 I254V22-V139 HydrophobicContact CB-CG1 4.38Å; V22-V139 HydrophobicContact CG1-CG1 3.86Å; V22-V139 HydrophobicContact CG2-CG1 3.61Å; N30-V139 PolarHBondContact ND2-O 2.65Å; N30-V139 VanDerWaalsContact ND2-O 3.15Å; Y35-V139 HydrophobicContact CD2-CB 3.95Å; Y35-V139 HydrophobicContact CD2-CG1 3.77Å; Y35-V139 HydrophobicContact CD2-CG2 4.42Å; Y35-V139 HydrophobicContact CE2-CG1 4.15Å; Y35-V139 HydrophobicContact CG-CB 4.46Å; Y35-V139 HydrophobicContact CG-CG1 4.47Å; Y35-V139 HydrophobicContact CG-CG2 4.45Å; V139-I254 WeakPolarHBondContact CG1-O 3.25Å
140G92.3Very high92.2Very high1 Ų144.1 Ų44.11%0.0122%0.217CC..THydrogen-bonded Turntrans89.7-0.5-175.400000115.7N25 N30 Q138 L252 V253N25-G140 PolarHBondContact N-O 2.76Å; N30-G140 WeakPolarHBondContact ND2-CA 3.4Å; Q138-G140 PolarHBondContact O-N 3.05Å; G140-L252 WeakPolarHBondContact O-CD1 3.49Å; G140-V253 PolarHBondContact N-O 3.21Å
141D93.3Very high92.2Very high3 Ų340.1 Ų40.12%0.01620%0.199CC..  trans-72.6144.8170-71.9-14.7000111R27 V123 Q138 V253R27-D141 WeakPolarHBondContact CG-OD1 3.14Å; R27-D141 IonicContact CZ-OD1 2.7Å; R27-D141 IonicContact CZ-OD2 3.52Å; R27-D141 IonicContact NE-OD1 3.68Å; R27-D141 PolarHBondContact NE-OD1 3.08Å; R27-D141 IonicContact NE-OD2 2.72Å; R27-D141 PolarHBondContact NE-OD2 2.99Å; R27-D141 VanDerWaalsContact NH2-CG 3.34Å; R27-D141 IonicContact NH2-OD1 3.31Å; R27-D141 PolarHBondContact NH2-OD1 3.41Å; R27-D141 IonicContact NH2-OD2 3.16Å; R27-D141 PolarHBondContact NH2-OD2 3.34Å; V123-D141 HydrophobicContact CG1-CB 3.86Å; Q138-D141 PolarHBondContact N-OD2 2.84Å; Q138-D141 WeakPolarHBondContact O-CB 3.38Å; Q138-D141 PolarHBondContact O-N 3.08Å; D141-V253 HydrophobicContact CB-CG2 4.31Å; D141-V253 WeakPolarHBondContact O-CG2 3.45Å; D141-V253 PolarHBondContact O-N 3.22Å
142I94.6Very high92.1Very high0 Ų035.7 Ų35.70%018%0.176CC..EExtended strand (participates in β ladder)trans-94.1129.1169.2-61.5177.5000108.8N25 L124 L158 L199 F202 F250 G251 L252N25-I142 WeakPolarHBondContact ND2-CD1 3.27Å; N25-I142 WeakPolarHBondContact OD1-CD1 3.26Å; N25-I142 WeakPolarHBondContact OD1-CG1 3.47Å; L124-I142 HydrophobicContact CB-CB 4.14Å; L124-I142 HydrophobicContact CB-CG2 4.45Å; L124-I142 HydrophobicContact CD2-CB 4.36Å; L124-I142 HydrophobicContact CD2-CD1 4.39Å; L124-I142 HydrophobicContact CD2-CG2 4.45Å; L124-I142 PolarHBondContact N-O 2.75Å; I142-L158 HydrophobicContact CD1-CD1 3.93Å; I142-L158 HydrophobicContact CG1-CD1 4.1Å; I142-L158 HydrophobicContact CG2-CD1 4.2Å; I142-L199 WeakPolarHBondContact CD1-O 3.32Å; I142-F202 HydrophobicContact CD1-CD1 4.42Å; I142-F250 HydrophobicContact CG2-CB 4.37Å; I142-F250 HydrophobicContact CG2-CD1 3.97Å; I142-G251 WeakPolarHBondContact CA-O 3.49Å; I142-L252 HydrophobicContact CG1-CD1 4Å
143V94.9Very high92.1Very high0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-120.9133.9-174-174.80000109.3V121 N122 V123 V137 L145 F250 G251 V253V121-V143 HydrophobicContact CB-CG1 4.29Å; V121-V143 HydrophobicContact CG1-CG1 4.05Å; V121-V143 HydrophobicContact CG2-CG1 3.26Å; N122-V143 CarbonylContact O-C 3.52Å; N122-V143 WeakPolarHBondContact O-CA 3.4Å; N122-V143 WeakPolarHBondContact O-CG1 3.14Å; V123-V143 HydrophobicContact CG2-CG2 4.37Å; V137-V143 HydrophobicContact CG1-CG2 4.2Å; V143-L145 HydrophobicContact CG1-CD2 4.25Å; V143-F250 WeakPolarHBondContact O-CA 3.43Å; V143-G251 PolarHBondContact N-O 2.88Å; V143-G251 PolarHBondContact O-N 3.42Å; V143-V253 HydrophobicContact CG2-CG2 3.62Å
144K95.2Very high92.2Very high28 Ų2829.2 Ų29.212%0.12215%0.147CC..EExtended strand (participates in β ladder)trans-95.5121.2170.3-175.4174.7-173.7156.90108.8N122 L129 D194 F250N122-K144 HydrophobicContact CB-CB 4.08Å; N122-K144 PolarHBondContact O-N 3.03Å; L129-K144 HydrophobicContact CD1-CD 3.83Å; L129-K144 HydrophobicContact CD2-CB 4.03Å; K144-D194 VanDerWaalsContact NZ-CG 3.33Å; K144-D194 IonicContact NZ-OD1 2.69Å; K144-D194 PolarHBondContact NZ-OD1 3.38Å; K144-D194 IonicContact NZ-OD2 2.61Å; K144-D194 PolarHBondContact NZ-OD2 3.29Å; K144-D194 VanDerWaalsContact NZ-OD2 3.07Å; K144-F250 HydrophobicContact CB-CD1 3.95Å; K144-F250 HydrophobicContact CB-CE1 3.68Å; K144-F250 HydrophobicContact CB-CZ 4.17Å; K144-F250 HydrophobicContact CD-CE1 4.03Å; K144-F250 HydrophobicContact CD-CE2 4.2Å; K144-F250 HydrophobicContact CD-CZ 3.64Å; K144-F250 HydrophobicContact CG-CD1 4.43Å; K144-F250 HydrophobicContact CG-CE1 4.02Å; K144-F250 HydrophobicContact CG-CE2 4.33Å; K144-F250 HydrophobicContact CG-CZ 3.97Å
145L94.3Very high92.3Very high1 Ų128.6 Ų28.61%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-103.1138.6172.4-61.9176.2000109.2V121 V143 V151 T152 L155 L237 L243 W248 C249V121-L145 HydrophobicContact CG2-CD2 3.85Å; V143-L145 HydrophobicContact CG1-CD2 4.25Å; L145-V151 HydrophobicContact CD1-CB 4.39Å; L145-V151 HydrophobicContact CD1-CG1 4.46Å; L145-V151 HydrophobicContact CD1-CG2 3.89Å; L145-T152 HydrophobicContact CD2-CG2 4.08Å; L145-L155 HydrophobicContact CD1-CD1 3.67Å; L145-L155 HydrophobicContact CG-CD1 4.25Å; L145-L237 HydrophobicContact CD1-CD1 4.44Å; L145-L243 HydrophobicContact CB-CD2 3.89Å; L145-W248 CarbonylContact O-C 3.44Å; L145-W248 WeakPolarHBondContact O-CA 3.45Å; L145-C249 PolarHBondContact N-O 3.4Å; L145-C249 PolarHBondContact O-N 2.7Å
146E92.9Very high92.5Very high88 Ų8825 Ų2541%0.41113%0.127SC..EExtended strand (participates in β ladder)trans-103.7163.2174.4-59.3174.316800111.2N148 Q149 E247E146-N148 PolarHBondContact O-N 3.08Å; E146-Q149 HydrophobicContact CB-CG 4.18Å; E146-Q149 VanDerWaalsContact O-CB 3.26Å; E146-Q149 WeakPolarHBondContact O-CB 3.44Å; E146-Q149 WeakPolarHBondContact O-CG 3.4Å; E146-Q149 PolarHBondContact O-N 3.46Å; E146-Q149 VanDerWaalsContact O-N 3.07Å; E146-Q149 PolarHBondContact OE2-NE2 2.98Å; E146-E247 WeakPolarHBondContact CA-O 3.22Å
147S86.6Confident92.6Very high46 Ų4621.7 Ų21.732%0.32211%0.109SC..THydrogen-bonded Turntrans-50134.6178-153.80000112.9Q149 T246 E247S147-Q149 VanDerWaalsContact C-N 3.25Å; S147-Q149 PolarHBondContact O-N 2.93Å; S147-T246 VanDerWaalsContact CA-O 3.3Å; S147-T246 WeakPolarHBondContact CA-O 3.39Å; S147-T246 WeakPolarHBondContact CB-O 3.29Å; S147-T246 PolarHBondContact OG-O 3.08Å; S147-T246 VanDerWaalsContact OG-O 3.08Å; S147-E247 PolarHBondContact N-O 2.88Å
148N83.7Confident92.6Very high90 Ų9021.7 Ų21.748%0.48111%0.109SC..THydrogen-bonded Turntrans67.213.8-178.1-48.8-63000115.6E146 L243 R244E146-N148 PolarHBondContact O-N 3.08Å; N148-L243 WeakPolarHBondContact CA-O 2.84Å; N148-L243 PolarHBondContact N-O 3.46Å; N148-R244 VanDerWaalsContact OD1-CD 3.31Å; N148-R244 WeakPolarHBondContact OD1-CD 3.28Å; N148-R244 PolarHBondContact OD1-NH1 2.85Å
149Q88.8Confident92.6Very high52 Ų5218.5 Ų18.524%0.2439%0.094CC..PPolyproline II helixtrans-87.7147.9171.9-65.8-175.2-10.800112.2E146 S147 L243E146-Q149 HydrophobicContact CB-CG 4.18Å; E146-Q149 VanDerWaalsContact O-CB 3.26Å; E146-Q149 WeakPolarHBondContact O-CB 3.44Å; E146-Q149 WeakPolarHBondContact O-CG 3.4Å; E146-Q149 PolarHBondContact O-N 3.46Å; E146-Q149 VanDerWaalsContact O-N 3.07Å; E146-Q149 PolarHBondContact OE2-NE2 2.98Å; S147-Q149 VanDerWaalsContact C-N 3.25Å; S147-Q149 PolarHBondContact O-N 2.93Å; Q149-L243 PolarHBondContact O-N 3.47Å
150F89.3Confident92.5Very high64 Ų6418.4 Ų18.428%0.2819%0.094SC..BIsolated β-bridgetrans-72.9140170.8-72-82.5000110.9W134 T152 E173 T242W134-F150 HydrophobicContact CH2-CB 3.7Å; W134-F150 HydrophobicContact CZ2-CB 3.8Å; F150-T152 PolarHBondContact O-N 2.8Å; F150-E173 HydrophobicContact CE1-CG 4.35Å; F150-E173 VanDerWaalsContact CE1-OE1 3.3Å; F150-E173 WeakPolarHBondContact CE1-OE1 3.49Å; F150-T242 WeakPolarHBondContact CD1-OG1 3.41Å; F150-T242 WeakPolarHBondContact CE1-OG1 3.15Å
151V93.1Very high92.3Very high0 Ų020 Ų200%011%0.105CC..PPolyproline II helixtrans-67.6124.5171.8177.90000109.3L145 A153 L155 L237 L238 C241L145-V151 HydrophobicContact CD1-CB 4.39Å; L145-V151 HydrophobicContact CD1-CG1 4.46Å; L145-V151 HydrophobicContact CD1-CG2 3.89Å; V151-A153 WeakPolarHBondContact CG1-O 3.24Å; V151-L155 HydrophobicContact CG1-CD1 4.07Å; V151-L155 HydrophobicContact CG1-CG 4.05Å; V151-L237 HydrophobicContact CG1-CB 4.07Å; V151-L237 HydrophobicContact CG2-CB 4.23Å; V151-L238 WeakPolarHBondContact CB-O 3.38Å; V151-L238 VanDerWaalsContact CG1-O 3.32Å; V151-L238 WeakPolarHBondContact CG1-O 3.49Å; V151-C241 HydrophobicContact CB-CB 4.17Å; V151-C241 HydrophobicContact CG2-CB 3.68Å; V151-C241 WeakPolarHBondContact CG2-O 3.43Å; V151-C241 PolarHBondContact N-O 2.89Å
152T91.8Very high91.7Very high1 Ų122.4 Ų22.41%0.00612%0.116CC..  trans-80-29-165.859.80000114.7N38 V121 W134 L145 F150 R239N38-T152 PolarHBondContact ND2-O 3.11Å; V121-T152 HydrophobicContact CB-CG2 3.74Å; V121-T152 HydrophobicContact CG1-CG2 3.94Å; V121-T152 HydrophobicContact CG2-CG2 3.59Å; W134-T152 HydrophobicContact CD2-CG2 4.15Å; W134-T152 VanDerWaalsContact CE2-CG2 3.42Å; W134-T152 HydrophobicContact CG-CG2 4.35Å; W134-T152 HydrophobicContact CZ2-CG2 3.72Å; L145-T152 HydrophobicContact CD2-CG2 4.08Å; F150-T152 PolarHBondContact O-N 2.8Å; T152-R239 PolarHBondContact O-NH1 2.55Å
153A94.4Very high90.3Very high0 Ų025.5 Ų25.50%014%0.136CC..SBendtrans-158.2176.4-174.700000108V151 L155 V253 F255V151-A153 WeakPolarHBondContact CG1-O 3.24Å; A153-L155 HydrophobicContact CB-CD2 4.08Å; A153-L155 WeakPolarHBondContact O-CG 3.19Å; A153-L155 PolarHBondContact O-N 3.45Å; A153-V253 HydrophobicContact CB-CG1 3.8Å; A153-V253 HydrophobicContact CB-CG2 4.49Å; A153-F255 WeakPolarHBondContact CB-O 3.36Å
154D95.1Very high89Confident2 Ų228.7 Ų28.71%0.01115%0.153CC..EExtended strand (participates in β ladder)trans-77.2115.1173.8-62.7-17.1000108.5L237 L238 R239 I254 F255 T260 K261D154-L237 CarbonylContact C-O 3.25Å; D154-L237 WeakPolarHBondContact CA-O 3.49Å; D154-L238 HydrophobicContact CB-CD2 4.4Å; D154-L238 WeakPolarHBondContact OD1-CA 3.44Å; D154-R239 PolarHBondContact OD1-N 3.05Å; D154-I254 PolarHBondContact O-N 3.32Å; D154-F255 HydrophobicContact CB-CB 4Å; D154-F255 HydrophobicContact CB-CD2 4Å; D154-F255 HydrophobicContact CB-CG 4.41Å; D154-F255 PolarHBondContact N-O 3.27Å; D154-F255 PolarHBondContact O-N 2.95Å; D154-F255 WeakPolarHBondContact OD2-CD2 3.3Å; D154-T260 VanDerWaalsContact OD2-CA 3.31Å; D154-T260 WeakPolarHBondContact OD2-CA 3.47Å; D154-K261 PolarHBondContact OD2-N 2.99Å
155L95.8Very high88.2Confident0 Ų028.5 Ų28.50%015%0.153CC..EExtended strand (participates in β ladder)trans-111.3138.9-171.1-49.2-177.9000111.7L145 V151 A153 I236 L237 L252 V253L145-L155 HydrophobicContact CD1-CD1 3.67Å; L145-L155 HydrophobicContact CG-CD1 4.25Å; V151-L155 HydrophobicContact CG1-CD1 4.07Å; V151-L155 HydrophobicContact CG1-CG 4.05Å; A153-L155 HydrophobicContact CB-CD2 4.08Å; A153-L155 WeakPolarHBondContact O-CG 3.19Å; A153-L155 PolarHBondContact O-N 3.45Å; L155-I236 CarbonylContact O-C 3.56Å; L155-I236 WeakPolarHBondContact O-CA 3.47Å; L155-L237 HydrophobicContact CB-CB 4.34Å; L155-L237 PolarHBondContact N-O 3.03Å; L155-L237 PolarHBondContact O-N 3.28Å; L155-L252 CarbonylContact C-O 3.35Å; L155-L252 VanDerWaalsContact CA-O 3.27Å; L155-L252 WeakPolarHBondContact CA-O 3.32Å; L155-V253 HydrophobicContact CD2-CB 4.12Å; L155-V253 HydrophobicContact CD2-CG2 3.51Å
156L95.6Very high87.6Confident2 Ų229.2 Ų29.21%0.0116%0.157CC..EExtended strand (participates in β ladder)trans-83.1119.2162.6170.966.4000109.6L158 V206 L231 K235 I236 G251 L252 I254L156-L158 HydrophobicContact CD2-CD2 4.47Å; L156-L158 HydrophobicContact CG-CD2 4.47Å; L156-L158 PolarHBondContact O-N 3.41Å; L156-V206 HydrophobicContact CD2-CG2 3.82Å; L156-L231 HydrophobicContact CD1-CD1 4.03Å; L156-L231 HydrophobicContact CD1-CD2 3.71Å; L156-L231 HydrophobicContact CD1-CG 4.44Å; L156-L231 HydrophobicContact CD2-CD1 4Å; L156-L231 HydrophobicContact CD2-CD2 4.48Å; L156-K235 HydrophobicContact CD1-CB 4.07Å; L156-I236 HydrophobicContact CB-CD1 4.06Å; L156-I236 HydrophobicContact CD1-CD1 4.05Å; L156-G251 CarbonylContact O-C 3.49Å; L156-G251 WeakPolarHBondContact O-CA 3.38Å; L156-L252 HydrophobicContact CB-CB 4.27Å; L156-L252 HydrophobicContact CD2-CD2 4.37Å; L156-L252 PolarHBondContact N-O 2.91Å; L156-L252 PolarHBondContact O-N 3.27Å; L156-I254 HydrophobicContact CB-CD1 4.09Å; L156-I254 HydrophobicContact CB-CG1 3.94Å
157L94.6Very high87.2Confident2 Ų225 Ų251%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-69.1121.7-179.5179.560.9000110.9V167 K183 A185 K235 L237 C249L157-V167 HydrophobicContact CD1-CG2 3.6Å; L157-V167 HydrophobicContact CD2-CB 4.02Å; L157-V167 HydrophobicContact CD2-CG2 3.61Å; L157-V167 HydrophobicContact CG-CG2 4.26Å; L157-K183 HydrophobicContact CD2-CB 4.28Å; L157-A185 HydrophobicContact CD2-CB 4.08Å; L157-A185 HydrophobicContact CG-CB 3.77Å; L157-K235 WeakPolarHBondContact CB-O 3.5Å; L157-K235 PolarHBondContact N-O 3.43Å; L157-L237 HydrophobicContact CB-CG 4.48Å; L157-L237 HydrophobicContact CD1-CD1 4.36Å; L157-C249 HydrophobicContact CD1-CB 3.9Å
158L93.3Very high87Confident1 Ų124.7 Ų24.71%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-100.7-53.2-178.5-61.5179.6000112.1I142 L156 A185 T189 G190 L199 F202 F250 L252I142-L158 HydrophobicContact CD1-CD1 3.93Å; I142-L158 HydrophobicContact CG1-CD1 4.1Å; I142-L158 HydrophobicContact CG2-CD1 4.2Å; L156-L158 HydrophobicContact CD2-CD2 4.47Å; L156-L158 HydrophobicContact CG-CD2 4.47Å; L156-L158 PolarHBondContact O-N 3.41Å; L158-A185 VanDerWaalsContact O-CB 3.31Å; L158-A185 WeakPolarHBondContact O-CB 3.29Å; L158-T189 HydrophobicContact CD2-CG2 4.21Å; L158-T189 CarbonylContact O-C 3.56Å; L158-T189 VanDerWaalsContact O-CB 3.25Å; L158-T189 WeakPolarHBondContact O-CB 3.37Å; L158-T189 PolarHBondContact O-OG1 3.47Å; L158-G190 WeakPolarHBondContact O-CA 3.45Å; L158-G190 PolarHBondContact O-N 3.29Å; L158-G190 VanDerWaalsContact O-N 3.13Å; L158-L199 HydrophobicContact CD1-CD2 4.27Å; L158-F202 HydrophobicContact CD2-CE1 4.2Å; L158-F202 HydrophobicContact CD2-CZ 4.44Å; L158-F250 HydrophobicContact CB-CB 4.48Å; L158-F250 PolarHBondContact N-O 3.13Å; L158-L252 HydrophobicContact CD1-CB 4.18Å; L158-L252 HydrophobicContact CD2-CB 4.4Å; L158-L252 HydrophobicContact CG-CB 4.36Å
159S93.1Very high87Confident0 Ų020.4 Ų20.40%011%0.107CC..EExtended strand (participates in β ladder)trans-149.5160.1-178.964.70000111.2G193 C249 F250S159-G193 WeakPolarHBondContact CB-O 3.06Å; S159-G193 PolarHBondContact OG-O 3.48Å; S159-C249 CarbonylContact O-C 3.51Å; S159-C249 WeakPolarHBondContact O-CA 3.49Å; S159-C249 WeakPolarHBondContact O-CB 3.32Å; S159-F250 PolarHBondContact N-O 3Å; S159-F250 PolarHBondContact O-N 3.4Å; S159-F250 WeakPolarHBondContact OG-CD2 3.44Å
160S91.1Very high86.6Confident6 Ų619.7 Ų19.74%0.04210%0.103CC..EExtended strand (participates in β ladder)trans-145.1160.1-178.41790000111.6E162 L166 V167 T246 W248S160-E162 VanDerWaalsContact C-N 3.31Å; S160-E162 PolarHBondContact OG-N 3.43Å; S160-L166 VanDerWaalsContact CB-O 3.25Å; S160-L166 WeakPolarHBondContact CB-O 3.27Å; S160-L166 PolarHBondContact OG-O 3Å; S160-V167 WeakPolarHBondContact OG-CG2 3.34Å; S160-T246 VanDerWaalsContact OG-CG2 3.29Å; S160-T246 WeakPolarHBondContact OG-CG2 3.25Å; S160-W248 VanDerWaalsContact C-CH2 3.46Å; S160-W248 VanDerWaalsContact C-CZ3 3.49Å; S160-W248 WeakPolarHBondContact O-CH2 3.47Å
161S86.6Confident86Confident34 Ų3417 Ų1724%0.2389%0.092CC..SBendtrans-66.4-30.8172.462.20000113.4T246 E247 W248S161-T246 WeakPolarHBondContact OG-CG2 3.29Å; S161-E247 PolarHBondContact OG-N 2.82Å; S161-W248 PolarHBondContact N-O 3.42Å; S161-W248 PolarHBondContact OG-N 3.07Å
162E81.4Confident84.7Confident53 Ų5317.5 Ų17.525%0.24810%0.096CC..SBendtrans-77.7151-173-58-52125.400112.3S160 N165 L166 Y168 T246S160-E162 VanDerWaalsContact C-N 3.31Å; S160-E162 PolarHBondContact OG-N 3.43Å; E162-N165 WeakPolarHBondContact O-CA 3.24Å; E162-N165 PolarHBondContact O-N 3.34Å; E162-L166 HydrophobicContact CB-CB 4.38Å; E162-L166 WeakPolarHBondContact CB-O 3.4Å; E162-Y168 HydrophobicContact CG-CE2 4.38Å; E162-T246 HydrophobicContact CG-CG2 4.22Å
163P65.2Low83.5Confident65 Ų6519.2 Ų19.242%0.42210%0.104SC..G310 helixtrans-50.9143.6173-24.833.7000112N165P163-N165 PolarHBondContact O-N 2.9Å
164L67Low82.3Confident67 Ų6719.7 Ų19.735%0.35111%0.106SC..G310 helixtrans62.412.7-175.7-46.6163.5000115.3L166 Q184 R1151L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 HydrophobicContact CB-CD1 4.46Å; L164-L166 HydrophobicContact CB-CG 4.21Å; L164-L166 HydrophobicContact CD1-CD1 4.18Å; L164-Q184 PolarHBondContact O-NE2 2.82Å; L164-R1151 HydrophobicContact CD1-CB 3.5Å; L164-R1151 VanDerWaalsContact CD1-CB 3.5Å; L164-R1151 HydrophobicContact CD1-CG 4.16Å; L164-R1151 HydrophobicContact CD2-CB 3.99Å; L164-R1151 HydrophobicContact CD2-CG 4.3Å; L164-R1151 HydrophobicContact CG-CB 4.08Å
165N79.1Confident80.7Confident25 Ų2520.8 Ų20.813%0.13411%0.112CC..G310 helixtrans60.640.2-177.5-54.4-79.4000113.1E162 P163 A185 G190E162-N165 WeakPolarHBondContact O-CA 3.24Å; E162-N165 PolarHBondContact O-N 3.34Å; P163-N165 PolarHBondContact O-N 2.9Å; N165-A185 HydrophobicContact CB-CB 3.6Å; N165-A185 PolarHBondContact O-N 3.14Å; N165-G190 VanDerWaalsContact ND2-CA 3.29Å; N165-G190 WeakPolarHBondContact ND2-CA 3.4Å; N165-G190 VanDerWaalsContact OD1-CA 3.24Å; N165-G190 WeakPolarHBondContact OD1-CA 3.45Å; N165-G190 PolarHBondContact OD1-O 2.91Å; N165-G190 VanDerWaalsContact OD1-O 3.13Å
166L80.9Confident78.8Confident15 Ų1520.9 Ų20.98%0.07911%0.113CC..EExtended strand (participates in β ladder)trans-80.1151.8174-63.7169.9000110.9S160 E162 L164 V182 K183 Q184S160-L166 VanDerWaalsContact CB-O 3.25Å; S160-L166 WeakPolarHBondContact CB-O 3.27Å; S160-L166 PolarHBondContact OG-O 3Å; E162-L166 HydrophobicContact CB-CB 4.38Å; E162-L166 WeakPolarHBondContact CB-O 3.4Å; L164-L166 VanDerWaalsContact C-N 3.32Å; L164-L166 HydrophobicContact CB-CD1 4.46Å; L164-L166 HydrophobicContact CB-CG 4.21Å; L164-L166 HydrophobicContact CD1-CD1 4.18Å; L166-V182 HydrophobicContact CB-CG1 4.38Å; L166-V182 HydrophobicContact CD2-CG1 3.7Å; L166-V182 HydrophobicContact CG-CG1 4.44Å; L166-K183 CarbonylContact C-O 3.59Å; L166-K183 WeakPolarHBondContact CA-O 3.45Å; L166-Q184 HydrophobicContact CD2-CB 3.84Å; L166-Q184 HydrophobicContact CD2-CG 3.73Å
167V84.1Confident77.3Confident0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-136.8138.5174.3173.10000108.5L157 S160 V169 V182 K183 L237 L243 T246 C249L157-V167 HydrophobicContact CD1-CG2 3.6Å; L157-V167 HydrophobicContact CD2-CB 4.02Å; L157-V167 HydrophobicContact CD2-CG2 3.61Å; L157-V167 HydrophobicContact CG-CG2 4.26Å; S160-V167 WeakPolarHBondContact OG-CG2 3.34Å; V167-V169 HydrophobicContact CG1-CG1 3.98Å; V167-V182 CarbonylContact O-C 3.41Å; V167-V182 WeakPolarHBondContact O-CA 3.27Å; V167-K183 HydrophobicContact CB-CB 4.44Å; V167-K183 PolarHBondContact N-O 2.66Å; V167-K183 PolarHBondContact O-N 2.99Å; V167-L237 HydrophobicContact CG1-CD2 4.38Å; V167-L243 HydrophobicContact CG1-CD1 3.16Å; V167-T246 HydrophobicContact CG2-CG2 4.28Å; V167-C249 HydrophobicContact CG2-CB 3.78Å
168Y82.8Confident75.4Confident39 Ų3927.4 Ų27.415%0.15315%0.147CC..EExtended strand (participates in β ladder)trans-103126.4171.6-53.1-94000109.9E162 K181 V182 R244 N245 T246E162-Y168 HydrophobicContact CG-CE2 4.38Å; Y168-K181 WeakPolarHBondContact CA-O 3.13Å; Y168-V182 HydrophobicContact CD1-CG2 3.78Å; Y168-V182 HydrophobicContact CE1-CG2 3.63Å; Y168-R244 WeakPolarHBondContact CB-O 3.45Å; Y168-R244 PolarHBondContact O-N 3.49Å; Y168-N245 HydrophobicContact CD2-CB 3.9Å; Y168-N245 WeakPolarHBondContact CD2-O 3.42Å; Y168-N245 HydrophobicContact CG-CB 4.24Å; Y168-T246 PolarHBondContact N-OG1 3.36Å
169V84Confident74Confident1 Ų130.2 Ų30.21%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-122135.3176.2-68.20000111.2V167 T171 K181 K183 L237 C241 T242V167-V169 HydrophobicContact CG1-CG1 3.98Å; V169-T171 HydrophobicContact CG2-CG2 4.32Å; V169-K181 HydrophobicContact CG2-CB 4.14Å; V169-K181 PolarHBondContact N-O 2.93Å; V169-K181 PolarHBondContact O-N 2.83Å; V169-K183 HydrophobicContact CG2-CG 3.93Å; V169-L237 HydrophobicContact CG1-CD2 3.84Å; V169-C241 HydrophobicContact CB-CB 4.09Å; V169-C241 HydrophobicContact CG1-CB 4.3Å; V169-T242 WeakPolarHBondContact CA-O 3.38Å
170E80.7Confident72.8Confident37 Ų3732.8 Ų32.817%0.17318%0.176CC..EExtended strand (participates in β ladder)trans-87.5128.1167.6-179179.5-164.400108.6A172 L180 C241 T242 R244E170-A172 HydrophobicContact CG-CB 4.22Å; E170-L180 HydrophobicContact CB-CD2 4.02Å; E170-C241 CarbonylContact O-C 3.5Å; E170-C241 VanDerWaalsContact O-CA 3.28Å; E170-C241 WeakPolarHBondContact O-CA 3.38Å; E170-T242 PolarHBondContact N-O 3.2Å; E170-T242 PolarHBondContact O-N 3.31Å; E170-R244 HydrophobicContact CB-CG 3.95Å; E170-R244 IonicContact OE2-CZ 2.67Å; E170-R244 VanDerWaalsContact OE2-CZ 3.24Å; E170-R244 IonicContact OE2-NE 3.08Å; E170-R244 PolarHBondContact OE2-NE 3.38Å; E170-R244 IonicContact OE2-NH2 2.73Å; E170-R244 PolarHBondContact OE2-NH2 3.34Å
171T75.7Confident72.1Confident8 Ų835.5 Ų35.55%0.04919%0.187CC..  trans-107.414.6-17557.90000114.3V169 E173 L174 D175 E177 K181V169-T171 HydrophobicContact CG2-CG2 4.32Å; T171-E173 VanDerWaalsContact C-N 3.29Å; T171-E173 PolarHBondContact O-N 2.76Å; T171-E173 VanDerWaalsContact O-N 3.09Å; T171-L174 WeakPolarHBondContact O-CA 3.48Å; T171-L174 WeakPolarHBondContact O-CB 3.29Å; T171-L174 PolarHBondContact O-N 2.82Å; T171-D175 WeakPolarHBondContact CB-OD1 3.39Å; T171-D175 PolarHBondContact O-N 3.09Å; T171-D175 PolarHBondContact OG1-OD1 2.86Å; T171-D175 PolarHBondContact OG1-OD2 3.11Å; T171-E177 CarbonylContact C-O 3.2Å; T171-K181 HydrophobicContact CG2-CD 3.83Å; T171-K181 HydrophobicContact CG2-CG 4.33Å; T171-K181 VanDerWaalsContact OG1-CE 3.28Å; T171-K181 WeakPolarHBondContact OG1-CE 3.32Å
172A66.3Low71.8Confident9 Ų935.6 Ų35.67%0.07419%0.186CC..Hα-helixtrans-49.3-41.6-176.300000114.4E170 L174 G176 E177 E843E170-A172 HydrophobicContact CG-CB 4.22Å; A172-L174 VanDerWaalsContact C-N 3.29Å; A172-L174 PolarHBondContact O-N 3Å; A172-G176 WeakPolarHBondContact O-CA 3.36Å; A172-G176 PolarHBondContact O-N 3.38Å; A172-E177 WeakPolarHBondContact CA-O 3.47Å; A172-E177 PolarHBondContact N-O 3.49Å; A172-E843 CarbonylContact C-O 3.48Å
173E66.4Low71.9Confident37 Ų3734.2 Ų34.217%0.17318%0.179CC..Hα-helixtrans-73.3-14.9178.6-60.6-164.115700114.9F150 T171 G240 A824 Q846F150-E173 HydrophobicContact CE1-CG 4.35Å; F150-E173 VanDerWaalsContact CE1-OE1 3.3Å; F150-E173 WeakPolarHBondContact CE1-OE1 3.49Å; T171-E173 VanDerWaalsContact C-N 3.29Å; T171-E173 PolarHBondContact O-N 2.76Å; T171-E173 VanDerWaalsContact O-N 3.09Å; E173-G240 WeakPolarHBondContact CB-O 3.36Å; E173-A824 WeakPolarHBondContact O-CB 3.23Å; E173-Q846 HydrophobicContact CB-CG 4.23Å
174L68.9Low72.9Confident11 Ų1134.7 Ų34.76%0.05818%0.176CC..Hα-helixtrans-96.6-50.6-178.9-78152000111.4T171 A172 L215 L238 R239 C241 L262 A824T171-L174 WeakPolarHBondContact O-CA 3.48Å; T171-L174 WeakPolarHBondContact O-CB 3.29Å; T171-L174 PolarHBondContact O-N 2.82Å; A172-L174 VanDerWaalsContact C-N 3.29Å; A172-L174 PolarHBondContact O-N 3Å; L174-L215 HydrophobicContact CD2-CD2 3.92Å; L174-L238 HydrophobicContact CD1-CB 3.77Å; L174-L238 HydrophobicContact CD1-CD1 4.46Å; L174-L238 HydrophobicContact CD2-CB 4.3Å; L174-L238 HydrophobicContact CD2-CD1 4.5Å; L174-R239 WeakPolarHBondContact CD2-O 3.48Å; L174-C241 HydrophobicContact CD1-CB 4.38Å; L174-C241 WeakPolarHBondContact CD1-SG 3.23Å; L174-L262 HydrophobicContact CD2-CB 4.03Å; L174-L262 HydrophobicContact CD2-CD1 3.79Å; L174-L262 HydrophobicContact CD2-CG 4.45Å; L174-L262 HydrophobicContact CG-CD1 4.37Å; L174-A824 WeakPolarHBondContact O-CB 3.36Å
175D63.3Low73.9Confident24 Ų2431.7 Ų31.713%0.12816%0.16CC..Hα-helixtrans-132.913.4-171.561.115.3000113.6T171 E177 K181 N825T171-D175 WeakPolarHBondContact CB-OD1 3.39Å; T171-D175 PolarHBondContact O-N 3.09Å; T171-D175 PolarHBondContact OG1-OD1 2.86Å; T171-D175 PolarHBondContact OG1-OD2 3.11Å; D175-E177 PolarHBondContact O-N 3.02Å; D175-E177 WeakPolarHBondContact OD1-CB 3.45Å; D175-E177 PolarHBondContact OD1-N 2.95Å; D175-E177 VanDerWaalsContact OD1-N 3.16Å; D175-K181 IonicContact OD2-NZ 3.92Å; D175-K181 PolarHBondContact OD2-NZ 2.85Å; D175-N825 VanDerWaalsContact CA-OD1 3.25Å; D175-N825 WeakPolarHBondContact CA-OD1 3.34Å; D175-N825 VanDerWaalsContact O-CG 3.26Å; D175-N825 PolarHBondContact O-ND2 2.98Å; D175-N825 PolarHBondContact O-OD1 2.92Å
176G55.8Low74.2Confident2 Ų231.7 Ų31.72%0.02116%0.16CC..SBendtrans68.5-6.717900000114.9A172 T178 E843A172-G176 WeakPolarHBondContact O-CA 3.36Å; A172-G176 PolarHBondContact O-N 3.38Å; G176-T178 PolarHBondContact O-N 3.34Å; G176-E843 WeakPolarHBondContact O-CG 3.26Å
177E63.8Low74.2Confident89 Ų8935.8 Ų35.842%0.41619%0.186SC..  trans-76.5120.7-178.7-63179.4-173.900110.3T171 A172 D175 N179 K181T171-E177 CarbonylContact C-O 3.2Å; A172-E177 WeakPolarHBondContact CA-O 3.47Å; A172-E177 PolarHBondContact N-O 3.49Å; D175-E177 PolarHBondContact O-N 3.02Å; D175-E177 WeakPolarHBondContact OD1-CB 3.45Å; D175-E177 PolarHBondContact OD1-N 2.95Å; D175-E177 VanDerWaalsContact OD1-N 3.16Å; E177-N179 VanDerWaalsContact C-N 3.3Å; E177-K181 IonicContact OE1-NZ 2.83Å; E177-K181 WeakPolarHBondContact OE2-CE 3.25Å; E177-K181 IonicContact OE2-NZ 2.69Å; E177-K181 PolarHBondContact OE2-NZ 2.9Å
178T55Low74.2Confident52 Ų5239 Ų3932%0.31920%0.203SC..  trans-83-10.2175.653.30000112.9G176 E843G176-T178 PolarHBondContact O-N 3.34Å; T178-E843 HydrophobicContact CG2-CG 4.42Å
179N63.1Low74.3Confident61 Ų6137.3 Ų37.333%0.32620%0.197SC..SBendtrans-68.4141176.8-68.4-28000110.6E177 K181 Q498E177-N179 VanDerWaalsContact C-N 3.3Å; N179-K181 PolarHBondContact O-N 2.98Å; N179-Q498 PolarHBondContact ND2-O 3.27Å; N179-Q498 PolarHBondContact OD1-O 2.56Å
180L68.3Low74.2Confident54 Ų5437.4 Ų37.428%0.28320%0.198SC..EExtended strand (participates in β ladder)trans-73.9124.5175.8-63178.4000110.2E170 R244 N245E170-L180 HydrophobicContact CB-CD2 4.02Å; L180-R244 HydrophobicContact CD1-CB 4.43Å; L180-R244 HydrophobicContact CD2-CB 3.58Å; L180-R244 HydrophobicContact CD2-CG 3.74Å; L180-N245 WeakPolarHBondContact CD1-ND2 3.39Å
181K76.1Confident74.3Confident62 Ų6243.5 Ų43.527%0.2723%0.226SC..EExtended strand (participates in β ladder)trans-93.4132.6171.1-61.3-171.6-175-178.20109.2Y168 V169 T171 D175 E177 N179Y168-K181 WeakPolarHBondContact CA-O 3.13Å; V169-K181 HydrophobicContact CG2-CB 4.14Å; V169-K181 PolarHBondContact N-O 2.93Å; V169-K181 PolarHBondContact O-N 2.83Å; T171-K181 HydrophobicContact CG2-CD 3.83Å; T171-K181 HydrophobicContact CG2-CG 4.33Å; T171-K181 VanDerWaalsContact OG1-CE 3.28Å; T171-K181 WeakPolarHBondContact OG1-CE 3.32Å; D175-K181 IonicContact OD2-NZ 3.92Å; D175-K181 PolarHBondContact OD2-NZ 2.85Å; E177-K181 IonicContact OE1-NZ 2.83Å; E177-K181 WeakPolarHBondContact OE2-CE 3.25Å; E177-K181 IonicContact OE2-NZ 2.69Å; E177-K181 PolarHBondContact OE2-NZ 2.9Å; N179-K181 PolarHBondContact O-N 2.98Å
182V79.5Confident74.8Confident37 Ų3744.6 Ų44.622%0.22423%0.232CC..EExtended strand (participates in β ladder)trans-85132.7175.6-1720000108.9L166 V167 Y168 Y1143L166-V182 HydrophobicContact CB-CG1 4.38Å; L166-V182 HydrophobicContact CD2-CG1 3.7Å; L166-V182 HydrophobicContact CG-CG1 4.44Å; V167-V182 CarbonylContact O-C 3.41Å; V167-V182 WeakPolarHBondContact O-CA 3.27Å; Y168-V182 HydrophobicContact CD1-CG2 3.78Å; Y168-V182 HydrophobicContact CE1-CG2 3.63Å; V182-Y1143 HydrophobicContact CG2-CE2 4.02Å
183K85.1Confident75.7Confident24 Ų2445.2 Ų45.210%0.10424%0.239CC..EExtended strand (participates in β ladder)trans-123.1148.7173.4-63.6-66.9-179.6-177.50108.8L157 L166 V167 V169 N233 D234 L237L157-K183 HydrophobicContact CD2-CB 4.28Å; L166-K183 CarbonylContact C-O 3.59Å; L166-K183 WeakPolarHBondContact CA-O 3.45Å; V167-K183 HydrophobicContact CB-CB 4.44Å; V167-K183 PolarHBondContact N-O 2.66Å; V167-K183 PolarHBondContact O-N 2.99Å; V169-K183 HydrophobicContact CG2-CG 3.93Å; K183-N233 PolarHBondContact NZ-O 3.33Å; K183-D234 WeakPolarHBondContact CA-O 3.29Å; K183-D234 WeakPolarHBondContact CB-O 3.46Å; K183-D234 VanDerWaalsContact CD-O 3.29Å; K183-D234 WeakPolarHBondContact CD-O 3.11Å; K183-D234 IonicContact NZ-OD1 3.52Å; K183-L237 HydrophobicContact CB-CD2 3.85Å; K183-L237 HydrophobicContact CG-CD2 3.79Å
184Q84.6Confident76.6Confident74 Ų7446.8 Ų46.835%0.34625%0.248SC..EExtended strand (participates in β ladder)trans-132131.6-175.6-166.1-178.7700111.1L164 L166 D234 K235L164-Q184 PolarHBondContact O-NE2 2.82Å; L166-Q184 HydrophobicContact CD2-CB 3.84Å; L166-Q184 HydrophobicContact CD2-CG 3.73Å; Q184-D234 PolarHBondContact N-O 2.92Å; Q184-K235 WeakPolarHBondContact O-CG 3.44Å
185A88.4Confident77.5Confident4 Ų448.7 Ų48.73%0.03326%0.263CS..  trans-73.6161172.400000111.6L157 L158 N165L157-A185 HydrophobicContact CD2-CB 4.08Å; L157-A185 HydrophobicContact CG-CB 3.77Å; L158-A185 VanDerWaalsContact O-CB 3.31Å; L158-A185 WeakPolarHBondContact O-CB 3.29Å; N165-A185 HydrophobicContact CB-CB 3.6Å; N165-A185 PolarHBondContact O-N 3.14Å
186L85.3Confident78.7Confident26 Ų2650.5 Ų50.514%0.13627%0.272CS..  trans-65139.7167.8-72.1168.7000109.8L188 T189 G190 L222 L231 K235L186-L188 PolarHBondContact O-N 2.82Å; L186-T189 PolarHBondContact O-N 3.12Å; L186-T189 VanDerWaalsContact O-N 3.13Å; L186-T189 PolarHBondContact O-OG1 3.17Å; L186-T189 VanDerWaalsContact O-OG1 3.09Å; L186-G190 PolarHBondContact O-N 3.34Å; L186-L222 HydrophobicContact CD1-CD2 3.67Å; L186-L231 HydrophobicContact CD1-CD2 3.9Å; L186-K235 HydrophobicContact CD2-CD 3.97Å; L186-K235 HydrophobicContact CG-CD 4.07Å
187T81.1Confident80.2Confident101 Ų10158.2 Ų58.262%0.6231%0.307SS*.Hα-helixtrans-55.5-42.3178.8-41.10000111.6T189 G190 E191T187-T189 PolarHBondContact O-N 2.8Å; T187-G190 PolarHBondContact O-N 3.29Å; T187-E191 PolarHBondContact O-N 3.07Å
188L83.3Confident81.2Confident68 Ų6855.6 Ų55.636%0.35630%0.301SS..Hα-helixtrans-55.4-47.5177.2-17799.7000112.7L186 V224 Y229L186-L188 PolarHBondContact O-N 2.82Å; L188-V224 HydrophobicContact CD2-CB 4.04Å; L188-V224 HydrophobicContact CD2-CG1 4.02Å; L188-V224 HydrophobicContact CD2-CG2 4.25Å; L188-Y229 HydrophobicContact CD2-CE2 4.03Å
189T85.5Confident82.8Confident2 Ų253.1 Ų53.11%0.01229%0.286CS..Hα-helixtrans-80.4-29.3-17855.70000111.7L158 L186 T187 E191 M192 F202 L222L158-T189 HydrophobicContact CD2-CG2 4.21Å; L158-T189 CarbonylContact O-C 3.56Å; L158-T189 VanDerWaalsContact O-CB 3.25Å; L158-T189 WeakPolarHBondContact O-CB 3.37Å; L158-T189 PolarHBondContact O-OG1 3.47Å; L186-T189 PolarHBondContact O-N 3.12Å; L186-T189 VanDerWaalsContact O-N 3.13Å; L186-T189 PolarHBondContact O-OG1 3.17Å; L186-T189 VanDerWaalsContact O-OG1 3.09Å; T187-T189 PolarHBondContact O-N 2.8Å; T189-E191 VanDerWaalsContact C-N 3.32Å; T189-E191 PolarHBondContact O-N 2.68Å; T189-M192 HydrophobicContact CG2-CE 4.13Å; T189-M192 VanDerWaalsContact O-CB 3.31Å; T189-M192 WeakPolarHBondContact O-CB 3.37Å; T189-M192 WeakPolarHBondContact O-CE 3.4Å; T189-M192 WeakPolarHBondContact O-CG 3.13Å; T189-M192 PolarHBondContact O-N 3.45Å; T189-F202 HydrophobicContact CG2-CE2 4.07Å; T189-F202 HydrophobicContact CG2-CZ 4.13Å; T189-L222 HydrophobicContact CG2-CD2 4.08Å
190G81.8Confident84Confident4 Ų452.3 Ų52.34%0.04129%0.285CS..Hα-helixtrans-67-30.2-179.700000114.1L158 N165 L186 T187 M192 G193L158-G190 WeakPolarHBondContact O-CA 3.45Å; L158-G190 PolarHBondContact O-N 3.29Å; L158-G190 VanDerWaalsContact O-N 3.13Å; N165-G190 VanDerWaalsContact ND2-CA 3.29Å; N165-G190 WeakPolarHBondContact ND2-CA 3.4Å; N165-G190 VanDerWaalsContact OD1-CA 3.24Å; N165-G190 WeakPolarHBondContact OD1-CA 3.45Å; N165-G190 PolarHBondContact OD1-O 2.91Å; N165-G190 VanDerWaalsContact OD1-O 3.13Å; L186-G190 PolarHBondContact O-N 3.34Å; T187-G190 PolarHBondContact O-N 3.29Å; G190-M192 PolarHBondContact O-N 2.93Å; G190-M192 VanDerWaalsContact O-N 3.1Å; G190-G193 PolarHBondContact O-N 2.91Å
191E83Confident84.8Confident164 Ų16453.3 Ų53.377%0.76630%0.301SS*.THydrogen-bonded Turntrans-59.6-19.7173.8-74.9179.7-171.900113.6T187 T189 G193T187-E191 PolarHBondContact O-N 3.07Å; T189-E191 VanDerWaalsContact C-N 3.32Å; T189-E191 PolarHBondContact O-N 2.68Å; E191-G193 PolarHBondContact O-N 2.94Å
192M85.8Confident85.4Confident32 Ų3251.2 Ų51.216%0.15829%0.292CS..THydrogen-bonded Turntrans-67.3-23.9175.4-59.9-171.7-7500113.1T189 G190 S195 A198 L199 F202T189-M192 HydrophobicContact CG2-CE 4.13Å; T189-M192 VanDerWaalsContact O-CB 3.31Å; T189-M192 WeakPolarHBondContact O-CB 3.37Å; T189-M192 WeakPolarHBondContact O-CE 3.4Å; T189-M192 WeakPolarHBondContact O-CG 3.13Å; T189-M192 PolarHBondContact O-N 3.45Å; G190-M192 PolarHBondContact O-N 2.93Å; G190-M192 VanDerWaalsContact O-N 3.1Å; M192-S195 VanDerWaalsContact O-CB 3.25Å; M192-S195 WeakPolarHBondContact O-CB 3.36Å; M192-S195 PolarHBondContact O-N 3.2Å; M192-S195 VanDerWaalsContact O-N 3.12Å; M192-A198 HydrophobicContact CB-CB 4.23Å; M192-A198 HydrophobicContact CG-CB 4.29Å; M192-L199 HydrophobicContact CB-CD2 4.33Å; M192-L199 HydrophobicContact CB-CG 4.45Å; M192-L199 HydrophobicContact CE-CD2 3.77Å; M192-L199 HydrophobicContact SD-CD2 4.14Å; M192-F202 HydrophobicContact CE-CD2 3.9Å; M192-F202 HydrophobicContact CE-CE2 4.27Å; M192-F202 HydrophobicContact CE-CG 4.17Å; M192-F202 HydrophobicContact SD-CB 4.12Å; M192-F202 HydrophobicContact SD-CD2 3.94Å; M192-F202 HydrophobicContact SD-CG 4.23Å
193G85.7Confident85.8Confident22 Ų2258 Ų5823%0.22732%0.318CS..THydrogen-bonded Turntrans54.9-137179.300000113.7S159 G190 E191 S195 W248S159-G193 WeakPolarHBondContact CB-O 3.06Å; S159-G193 PolarHBondContact OG-O 3.48Å; G190-G193 PolarHBondContact O-N 2.91Å; E191-G193 PolarHBondContact O-N 2.94Å; G193-S195 VanDerWaalsContact C-N 3.31Å; G193-W248 VanDerWaalsContact C-CH2 3.49Å
194D85.8Confident85.9Confident69 Ų6956.9 Ų56.937%0.36931%0.314SS..THydrogen-bonded Turntrans-92.217.8173.9-159.211.8000112.2K144 I196 W248 F250K144-D194 VanDerWaalsContact NZ-CG 3.33Å; K144-D194 IonicContact NZ-OD1 2.69Å; K144-D194 PolarHBondContact NZ-OD1 3.38Å; K144-D194 IonicContact NZ-OD2 2.61Å; K144-D194 PolarHBondContact NZ-OD2 3.29Å; K144-D194 VanDerWaalsContact NZ-OD2 3.07Å; D194-I196 PolarHBondContact O-N 2.91Å; D194-I196 VanDerWaalsContact O-N 3.11Å; D194-W248 HydrophobicContact CB-CH2 3.78Å; D194-W248 HydrophobicContact CB-CZ2 3.64Å; D194-W248 HydrophobicContact CB-CZ3 4.28Å; D194-F250 HydrophobicContact CB-CE2 4.42Å; D194-F250 WeakPolarHBondContact OD1-CE2 3.35Å; D194-F250 WeakPolarHBondContact OD1-CZ 3.44Å
195S88.2Confident86.3Confident52 Ų5256.4 Ų56.436%0.36431%0.312SS..  trans-75.6103.2179.9-179.40000110.9M192 G193 E197 A198 L199M192-S195 VanDerWaalsContact O-CB 3.25Å; M192-S195 WeakPolarHBondContact O-CB 3.36Å; M192-S195 PolarHBondContact O-N 3.2Å; M192-S195 VanDerWaalsContact O-N 3.12Å; G193-S195 VanDerWaalsContact C-N 3.31Å; S195-E197 PolarHBondContact O-N 3.33Å; S195-A198 PolarHBondContact O-N 2.78Å; S195-A198 PolarHBondContact OG-N 2.8Å; S195-L199 WeakPolarHBondContact O-CG 3.23Å; S195-L199 PolarHBondContact O-N 2.96Å
196I88.4Confident86.5Confident62 Ų6256.2 Ų56.232%0.31831%0.31SS..Hα-helixtrans-59.1-38.1178.4-59.1177.3000111.1L124 G127 L129 D194 L199 S200L124-I196 HydrophobicContact CD1-CG2 3.59Å; G127-I196 VanDerWaalsContact O-CG2 3.27Å; G127-I196 WeakPolarHBondContact O-CG2 3.41Å; L129-I196 HydrophobicContact CD1-CD1 3.83Å; L129-I196 HydrophobicContact CD1-CG1 4.24Å; L129-I196 HydrophobicContact CG-CD1 4.3Å; D194-I196 PolarHBondContact O-N 2.91Å; D194-I196 VanDerWaalsContact O-N 3.11Å; I196-L199 PolarHBondContact O-N 3.35Å; I196-S200 VanDerWaalsContact O-CB 3.25Å; I196-S200 WeakPolarHBondContact O-CB 3.33Å; I196-S200 PolarHBondContact O-N 3.1Å
197E85.9Confident86.9Confident163 Ų16360.6 Ų60.676%0.76233%0.325SS*.Hα-helixtrans-64.6-45.1178.9-64.8175.6-17700111.5S195 S200 A201S195-E197 PolarHBondContact O-N 3.33Å; E197-S200 PolarHBondContact O-N 2.81Å; E197-A201 WeakPolarHBondContact O-CB 3.45Å; E197-A201 PolarHBondContact O-N 2.94Å
198A86.3Confident87.4Confident35 Ų3556.1 Ų56.129%0.28930%0.297SS..Hα-helixtrans-66.1-44178.100000111.6M192 S195 S200 A201 F202M192-A198 HydrophobicContact CB-CB 4.23Å; M192-A198 HydrophobicContact CG-CB 4.29Å; S195-A198 PolarHBondContact O-N 2.78Å; S195-A198 PolarHBondContact OG-N 2.8Å; A198-S200 VanDerWaalsContact C-N 3.3Å; A198-S200 PolarHBondContact O-N 2.81Å; A198-A201 PolarHBondContact O-N 3.04Å; A198-F202 PolarHBondContact O-N 3.05Å
199L88.1Confident87.8Confident0 Ų054.6 Ų54.60%029%0.288CS..Hα-helixtrans-65.9-32.3176.8-71.8164.9000112.4N25 L124 I142 L158 M192 S195 I196 F202 F250N25-L199 PolarHBondContact ND2-O 3.48Å; L124-L199 HydrophobicContact CD2-CB 3.89Å; I142-L199 WeakPolarHBondContact CD1-O 3.32Å; L158-L199 HydrophobicContact CD1-CD2 4.27Å; M192-L199 HydrophobicContact CB-CD2 4.33Å; M192-L199 HydrophobicContact CB-CG 4.45Å; M192-L199 HydrophobicContact CE-CD2 3.77Å; M192-L199 HydrophobicContact SD-CD2 4.14Å; S195-L199 WeakPolarHBondContact O-CG 3.23Å; S195-L199 PolarHBondContact O-N 2.96Å; I196-L199 PolarHBondContact O-N 3.35Å; L199-F202 WeakPolarHBondContact O-CB 3.15Å; L199-F250 HydrophobicContact CD1-CB 4.31Å; L199-F250 HydrophobicContact CD1-CD1 3.58Å; L199-F250 HydrophobicContact CD1-CD2 3.68Å; L199-F250 HydrophobicContact CD1-CE1 3.6Å; L199-F250 HydrophobicContact CD1-CE2 3.75Å; L199-F250 HydrophobicContact CD1-CG 3.59Å; L199-F250 HydrophobicContact CD1-CZ 3.68Å; L199-F250 HydrophobicContact CD2-CB 4.42Å
200S87Confident88Confident44 Ų4456.6 Ų56.631%0.30830%0.302SS..Hα-helixtrans-73.9-34.2175.1-171.50000112.2N25 G127 I196 E197 A198 F202N25-S200 PolarHBondContact ND2-O 3.28Å; G127-S200 WeakPolarHBondContact CA-OG 3.3Å; I196-S200 VanDerWaalsContact O-CB 3.25Å; I196-S200 WeakPolarHBondContact O-CB 3.33Å; I196-S200 PolarHBondContact O-N 3.1Å; E197-S200 PolarHBondContact O-N 2.81Å; A198-S200 VanDerWaalsContact C-N 3.3Å; A198-S200 PolarHBondContact O-N 2.81Å; S200-F202 VanDerWaalsContact C-N 3.29Å
201A87.1Confident88.4Confident74 Ų7457.8 Ų57.861%0.61231%0.309SS*.Hα-helixtrans-78.8-12.717700000113.2E197 A198 K203E197-A201 WeakPolarHBondContact O-CB 3.45Å; E197-A201 PolarHBondContact O-N 2.94Å; A198-A201 PolarHBondContact O-N 3.04Å; A201-K203 PolarHBondContact O-N 3.31Å
202F88.2Confident88.6Confident18 Ų1851.1 Ų51.18%0.07928%0.278CS..  trans-62.2118.9-178.6-180-109.3000112A24 I142 L158 T189 M192 A198 L199 S200 L222 V224A24-F202 HydrophobicContact CB-CD1 3.65Å; A24-F202 HydrophobicContact CB-CE1 3.75Å; I142-F202 HydrophobicContact CD1-CD1 4.42Å; L158-F202 HydrophobicContact CD2-CE1 4.2Å; L158-F202 HydrophobicContact CD2-CZ 4.44Å; T189-F202 HydrophobicContact CG2-CE2 4.07Å; T189-F202 HydrophobicContact CG2-CZ 4.13Å; M192-F202 HydrophobicContact CE-CD2 3.9Å; M192-F202 HydrophobicContact CE-CE2 4.27Å; M192-F202 HydrophobicContact CE-CG 4.17Å; M192-F202 HydrophobicContact SD-CB 4.12Å; M192-F202 HydrophobicContact SD-CD2 3.94Å; M192-F202 HydrophobicContact SD-CG 4.23Å; A198-F202 PolarHBondContact O-N 3.05Å; L199-F202 WeakPolarHBondContact O-CB 3.15Å; S200-F202 VanDerWaalsContact C-N 3.29Å; F202-L222 HydrophobicContact CZ-CD1 4.28Å; F202-L222 HydrophobicContact CZ-CD2 4.48Å; F202-V224 HydrophobicContact CE2-CG1 4.34Å; F202-V224 HydrophobicContact CE2-CG2 3.69Å; F202-V224 HydrophobicContact CZ-CG2 3.86Å
203K86.4Confident88.2Confident179 Ų17954 Ų5478%0.77830%0.295SS*.  trans-118.283.4176.1-67.9-177.5-177.5-179.40109.9A201A201-K203 PolarHBondContact O-N 3.31Å
204G88.3Confident88Confident2 Ų259.1 Ų59.12%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-103.3139.9173.400000112A24A24-G204 PolarHBondContact N-O 2.9Å
205E93.3Very high87.7Confident63 Ų6358 Ų5829%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-104.5123.8166.8-56.8-163.214900109.4R23 T223R23-E205 HydrophobicContact CG-CG 4.24Å; R23-E205 IonicContact CZ-OE1 3.49Å; R23-E205 IonicContact NE-OE1 3.59Å; R23-E205 PolarHBondContact NE-OE1 2.82Å; R23-E205 IonicContact NH2-OE1 3.19Å; R23-E205 PolarHBondContact NH2-OE1 3.09Å; E205-T223 PolarHBondContact N-O 2.7Å; E205-T223 PolarHBondContact O-N 2.81Å
206V93.2Very high87.3Confident1 Ų161.5 Ų61.51%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-105.7126.9175.8-179.90000109.2V22 L156 C208 T221 L222 L231 L252 I254V22-V206 HydrophobicContact CB-CB 4.34Å; V22-V206 PolarHBondContact N-O 3.06Å; V22-V206 PolarHBondContact O-N 2.94Å; L156-V206 HydrophobicContact CD2-CG2 3.82Å; V206-C208 HydrophobicContact CG1-CB 4.49Å; V206-T221 WeakPolarHBondContact CA-O 3.27Å; V206-L222 HydrophobicContact CG2-CD1 3.64Å; V206-L231 HydrophobicContact CG1-CD1 3.88Å; V206-L252 HydrophobicContact CG2-CD2 3.88Å; V206-I254 HydrophobicContact CB-CD1 4.27Å; V206-I254 HydrophobicContact CG1-CD1 3.99Å; V206-I254 HydrophobicContact CG2-CD1 4.28Å
207R92.8Very high87.1Confident118 Ų11862.2 Ų62.245%0.44532%0.316SS..EExtended strand (participates in β ladder)trans-114125.1169.8-62.1-175-175.7-166.8-0.8108.9R20 Y21 G220 T221R20-R207 WeakPolarHBondContact O-CA 3.44Å; Y21-R207 HydrophobicContact CD1-CG 3.8Å; Y21-R207 HydrophobicContact CE1-CG 3.8Å; R207-G220 CarbonylContact O-C 3.58Å; R207-G220 WeakPolarHBondContact O-CA 3.42Å; R207-T221 PolarHBondContact N-O 2.64Å; R207-T221 PolarHBondContact O-N 2.78Å
208C92Very high87.3Confident6 Ų654.8 Ų54.84%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-145.2168.1-176610000113R20 V206 F218R20-C208 PolarHBondContact N-O 3.36Å; R20-C208 PolarHBondContact O-N 3.04Å; V206-C208 HydrophobicContact CG1-CB 4.49Å; C208-F218 HydrophobicContact CB-CE1 4.45Å; C208-F218 HydrophobicContact CB-CE2 4.15Å; C208-F218 HydrophobicContact CB-CZ 3.67Å
209E90.9Very high87.4Confident36 Ų3659.3 Ų59.317%0.16829%0.294CS..PPolyproline II helixtrans-60.7154.8174.664.1-179.5-171.900112.3N212 K219E209-N212 PolarHBondContact OE1-ND2 3.13Å; E209-K219 PolarHBondContact N-O 2.73Å
210P90.9Very high87.6Confident45 Ų4559.9 Ų59.929%0.29230%0.3SS..PPolyproline II helixtrans-66.9159.2177.827.7-34.7000111.5E17 E18 N212E17-P210 WeakPolarHBondContact O-CB 3.38Å; E18-P210 WeakPolarHBondContact O-CD 3.46Å; P210-N212 PolarHBondContact O-N 3.05Å; P210-N212 PolarHBondContact O-ND2 2.66Å
211P89.3Confident87.9Confident29 Ų2960.4 Ų60.419%0.18830%0.301CS..PPolyproline II helixtrans-48.8123.5175.6-30.437.8000112.2F255 D259P211-F255 HydrophobicContact CG-CD1 4.2Å; P211-F255 HydrophobicContact CG-CE1 4.12Å; P211-D259 HydrophobicContact CB-CB 4.21Å; P211-D259 HydrophobicContact CG-CB 3.85Å
212N86.9Confident88.1Confident24 Ų2456.9 Ų56.913%0.12827%0.273CS..  trans-139.9171.8-179.769.369.9000110.8E209 P210 R214E209-N212 PolarHBondContact OE1-ND2 3.13Å; P210-N212 PolarHBondContact O-N 3.05Å; P210-N212 PolarHBondContact O-ND2 2.66Å; N212-R214 WeakPolarHBondContact OD1-CB 3.35Å; N212-R214 PolarHBondContact OD1-N 3.26Å
213N78.8Confident88.3Confident93 Ų9357.5 Ų57.550%0.49728%0.278SS..SBendtrans-96.711.9-17566.3-21.4000114Q264 N265N213-Q264 HydrophobicContact CB-CB 4.28Å; N213-N265 PolarHBondContact O-ND2 3.39Å; N213-N265 PolarHBondContact O-OD1 3.21Å
214R80.6Confident88.4Confident129 Ų12949.5 Ų49.549%0.48724%0.244SC..  trans-92.3106.3-177.7-54.7179.6-140.8-176.110.1110.5N212 D216 K217 K261N212-R214 WeakPolarHBondContact OD1-CB 3.35Å; N212-R214 PolarHBondContact OD1-N 3.26Å; R214-D216 VanDerWaalsContact C-N 3.35Å; R214-K217 HydrophobicContact CB-CB 4.26Å; R214-K261 WeakPolarHBondContact O-CD 3.47Å; R214-K261 WeakPolarHBondContact O-CE 3.39Å; R214-K261 PolarHBondContact O-NZ 3.2Å
215L80.4Confident88.2Confident44 Ų4456.8 Ų56.823%0.2328%0.283CS..SBendtrans-71.3-29.2-175.9-61.8176.6000113.3L174 N233 L238 K261L174-L215 HydrophobicContact CD2-CD2 3.92Å; L215-N233 PolarHBondContact O-ND2 3.03Å; L215-N233 PolarHBondContact O-OD1 3.44Å; L215-L238 HydrophobicContact CB-CD1 4.5Å; L215-L238 HydrophobicContact CD2-CD1 4.14Å; L215-K261 HydrophobicContact CD2-CB 3.91Å
216D78.3Confident87.6Confident126 Ų12657.2 Ų57.267%0.67430%0.303SS*.SBendtrans-86.3-19.6-174.561.8-39000113.8R214 N233R214-D216 VanDerWaalsContact C-N 3.35Å; D216-N233 WeakPolarHBondContact O-CB 3.28Å; D216-N233 PolarHBondContact O-ND2 2.86Å; D216-N233 VanDerWaalsContact O-ND2 3.16Å
217K84.1Confident87.1Confident77 Ų7762.8 Ų62.834%0.33533%0.33SS..  trans-119.1126.5-172.3-171.8175.4-178.3175.50111.6R214 K261R214-K217 HydrophobicContact CB-CB 4.26Å; K217-K261 PolarHBondContact O-NZ 2.69Å
218F90.2Very high86.8Confident7 Ų762.6 Ų62.63%0.03134%0.337CS..  trans-137.5139.3166.5-178.5-95.6000108.5C208 L231 N233 I236 F255C208-F218 HydrophobicContact CB-CE1 4.45Å; C208-F218 HydrophobicContact CB-CE2 4.15Å; C208-F218 HydrophobicContact CB-CZ 3.67Å; F218-L231 HydrophobicContact CD1-CB 4.37Å; F218-L231 HydrophobicContact CE1-CB 3.94Å; F218-L231 HydrophobicContact CE1-CD1 4.38Å; F218-N233 HydrophobicContact CB-CB 4.26Å; F218-I236 HydrophobicContact CB-CG1 4.3Å; F218-I236 HydrophobicContact CD1-CD1 3.95Å; F218-I236 HydrophobicContact CD1-CG1 3.51Å; F218-I236 HydrophobicContact CD2-CG1 4.16Å; F218-I236 HydrophobicContact CE1-CD1 3.61Å; F218-I236 HydrophobicContact CE1-CG1 3.75Å; F218-I236 HydrophobicContact CE2-CD1 4.21Å; F218-I236 HydrophobicContact CE2-CG1 4.36Å; F218-I236 HydrophobicContact CG-CD1 4.38Å; F218-I236 HydrophobicContact CG-CG1 3.73Å; F218-I236 HydrophobicContact CZ-CD1 3.74Å; F218-I236 HydrophobicContact CZ-CG1 4.16Å; F218-F255 HydrophobicContact CD2-CE2 4.5Å; F218-F255 HydrophobicContact CE2-CE2 4.04Å; F218-F255 HydrophobicContact CE2-CZ 4.19Å
219K89.8Confident86.6Confident131 Ų13165.2 Ų65.257%0.5735%0.347SS*.  trans-133.2127.3173.5-71.6-169.4173.5-166.30110E209E209-K219 PolarHBondContact N-O 2.73Å
220G91.5Very high86.5Confident12 Ų1266.1 Ų66.112%0.12437%0.366CS..EExtended strand (participates in β ladder)trans-161178.8171.800000112.3R207 L231R207-G220 CarbonylContact O-C 3.58Å; R207-G220 WeakPolarHBondContact O-CA 3.42Å; G220-L231 PolarHBondContact N-O 2.81Å; G220-L231 VanDerWaalsContact N-O 3.14Å; G220-L231 WeakPolarHBondContact O-CA 3.4Å; G220-L231 WeakPolarHBondContact O-CB 3.49Å; G220-L231 PolarHBondContact O-N 2.72Å
221T92.6Very high86.4Confident54 Ų5464.4 Ų64.433%0.33135%0.354SS..EExtended strand (participates in β ladder)trans-133.9129.3177.4-52.90000108.1V206 R207 N228 Y229V206-T221 WeakPolarHBondContact CA-O 3.27Å; R207-T221 PolarHBondContact N-O 2.64Å; R207-T221 PolarHBondContact O-N 2.78Å; T221-N228 HydrophobicContact CG2-CB 3.71Å; T221-Y229 CarbonylContact C-O 3.5Å; T221-Y229 WeakPolarHBondContact CA-O 3.29Å
222L92.6Very high86.3Confident1 Ų166 Ų661%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-98121.7169.2173.166.5000108.6L186 T189 F202 V206 V224 Y229 L231L186-L222 HydrophobicContact CD1-CD2 3.67Å; T189-L222 HydrophobicContact CG2-CD2 4.08Å; F202-L222 HydrophobicContact CZ-CD1 4.28Å; F202-L222 HydrophobicContact CZ-CD2 4.48Å; V206-L222 HydrophobicContact CG2-CD1 3.64Å; L222-V224 HydrophobicContact CD1-CG2 3.93Å; L222-V224 HydrophobicContact CD2-CG2 3.98Å; L222-V224 HydrophobicContact CG-CG2 3.79Å; L222-Y229 PolarHBondContact N-O 2.68Å; L222-Y229 PolarHBondContact O-N 3.37Å; L222-L231 HydrophobicContact CB-CD1 4.06Å; L222-L231 HydrophobicContact CB-CD2 4.02Å; L222-L231 HydrophobicContact CB-CG 4.11Å
223T92.1Very high86.3Confident30 Ų3066.1 Ų66.118%0.18436%0.362CS..EExtended strand (participates in β ladder)trans-102.2116.6173.1-54.40000109.4E205 Q227 N228E205-T223 PolarHBondContact N-O 2.7Å; E205-T223 PolarHBondContact O-N 2.81Å; T223-Q227 VanDerWaalsContact CA-O 3.29Å; T223-Q227 WeakPolarHBondContact CA-O 3.44Å; T223-N228 WeakPolarHBondContact CG2-OD1 3.19Å; T223-N228 PolarHBondContact OG1-OD1 2.91Å
224V87.6Confident86.6Confident12 Ų1266 Ų667%0.07336%0.361CS..EExtended strand (participates in β ladder)trans-129.6129.2175.4177.60000108L188 F202 L222 G226 Q227L188-V224 HydrophobicContact CD2-CB 4.04Å; L188-V224 HydrophobicContact CD2-CG1 4.02Å; L188-V224 HydrophobicContact CD2-CG2 4.25Å; F202-V224 HydrophobicContact CE2-CG1 4.34Å; F202-V224 HydrophobicContact CE2-CG2 3.69Å; F202-V224 HydrophobicContact CZ-CG2 3.86Å; L222-V224 HydrophobicContact CD1-CG2 3.93Å; L222-V224 HydrophobicContact CD2-CG2 3.98Å; L222-V224 HydrophobicContact CG-CG2 3.79Å; V224-G226 PolarHBondContact O-N 3.32Å; V224-G226 VanDerWaalsContact O-N 3.09Å; V224-Q227 PolarHBondContact N-O 3.45Å; V224-Q227 PolarHBondContact O-N 3.4Å
225N84.9Confident87Confident155 Ų15561.4 Ų61.483%0.82935%0.345SS*.THydrogen-bonded Turntrans51.533.1-179.3-58.8-23.7000114.2Q227N225-Q227 VanDerWaalsContact C-N 3.3Å; N225-Q227 PolarHBondContact O-N 3.07Å
226G80Confident87.6Confident71 Ų7159.5 Ų59.573%0.73234%0.335SS*.THydrogen-bonded Turntrans80.20.2-179.100000115.6V224V224-G226 PolarHBondContact O-N 3.32Å; V224-G226 VanDerWaalsContact O-N 3.09Å
227Q83.1Confident88.4Confident119 Ų11953.5 Ų53.556%0.55630%0.303SS*.EExtended strand (participates in β ladder)trans-101142.6174-67.8-174.3-6.700111.5T223 V224 N225 Y229T223-Q227 VanDerWaalsContact CA-O 3.29Å; T223-Q227 WeakPolarHBondContact CA-O 3.44Å; V224-Q227 PolarHBondContact N-O 3.45Å; V224-Q227 PolarHBondContact O-N 3.4Å; N225-Q227 VanDerWaalsContact C-N 3.3Å; N225-Q227 PolarHBondContact O-N 3.07Å; Q227-Y229 HydrophobicContact CB-CE2 3.85Å; Q227-Y229 PolarHBondContact OE1-OH 3.5Å
228N86.9Confident88.8Confident113 Ų11350.6 Ų50.660%0.60429%0.291SS*.EExtended strand (participates in β ladder)trans-104.1129.5-176.7-69.6-20.7000111.3T221 T223T221-N228 HydrophobicContact CG2-CB 3.71Å; T223-N228 WeakPolarHBondContact CG2-OD1 3.19Å; T223-N228 PolarHBondContact OG1-OD1 2.91Å
229Y87.4Confident88.7Confident61 Ų6150.6 Ų50.624%0.23929%0.29CS..EExtended strand (participates in β ladder)trans-118.6132177.7-63.2-91.1000109.8L188 T221 L222 Q227L188-Y229 HydrophobicContact CD2-CE2 4.03Å; T221-Y229 CarbonylContact C-O 3.5Å; T221-Y229 WeakPolarHBondContact CA-O 3.29Å; L222-Y229 PolarHBondContact N-O 2.68Å; L222-Y229 PolarHBondContact O-N 3.37Å; Q227-Y229 HydrophobicContact CB-CE2 3.85Å; Q227-Y229 PolarHBondContact OE1-OH 3.5Å
230G88.2Confident88.3Confident56 Ų5644.5 Ų44.558%0.57727%0.265SS*.EExtended strand (participates in β ladder)trans-70.6132.4177.500000112
231L89.6Confident88.2Confident9 Ų944.1 Ų44.15%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-107.4129.3172.3-56.6178.8000110.2L156 L186 V206 F218 G220 L222 K235L156-L231 HydrophobicContact CD1-CD1 4.03Å; L156-L231 HydrophobicContact CD1-CD2 3.71Å; L156-L231 HydrophobicContact CD1-CG 4.44Å; L156-L231 HydrophobicContact CD2-CD1 4Å; L156-L231 HydrophobicContact CD2-CD2 4.48Å; L186-L231 HydrophobicContact CD1-CD2 3.9Å; V206-L231 HydrophobicContact CG1-CD1 3.88Å; F218-L231 HydrophobicContact CD1-CB 4.37Å; F218-L231 HydrophobicContact CE1-CB 3.94Å; F218-L231 HydrophobicContact CE1-CD1 4.38Å; G220-L231 PolarHBondContact N-O 2.81Å; G220-L231 VanDerWaalsContact N-O 3.14Å; G220-L231 WeakPolarHBondContact O-CA 3.4Å; G220-L231 WeakPolarHBondContact O-CB 3.49Å; G220-L231 PolarHBondContact O-N 2.72Å; L222-L231 HydrophobicContact CB-CD1 4.06Å; L222-L231 HydrophobicContact CB-CD2 4.02Å; L222-L231 HydrophobicContact CB-CG 4.11Å; L231-K235 HydrophobicContact CD2-CD 3.88Å
232D86.6Confident87.9Confident62 Ų6242.1 Ų42.133%0.33225%0.248SC..  trans-121.9-178.5175.35322.7000110.1D234 K235D232-D234 PolarHBondContact O-N 2.79Å; D232-D234 PolarHBondContact OD1-N 3.34Å; D232-K235 PolarHBondContact O-N 2.9Å; D232-K235 WeakPolarHBondContact OD1-CD 3.46Å; D232-K235 WeakPolarHBondContact OD1-CG 3.43Å; D232-K235 IonicContact OD1-NZ 3.05Å; D232-K235 PolarHBondContact OD1-NZ 3.22Å; D232-K235 IonicContact OD2-NZ 3.75Å; D232-K235 PolarHBondContact OD2-NZ 3.38Å
233N86.8Confident87.7Confident26 Ų2642 Ų4214%0.13925%0.248CC..G310 helixtrans-67.2-18.8-177.8-159.848.6000113.4K183 L215 D216 F218 K235 I236K183-N233 PolarHBondContact NZ-O 3.33Å; L215-N233 PolarHBondContact O-ND2 3.03Å; L215-N233 PolarHBondContact O-OD1 3.44Å; D216-N233 WeakPolarHBondContact O-CB 3.28Å; D216-N233 PolarHBondContact O-ND2 2.86Å; D216-N233 VanDerWaalsContact O-ND2 3.16Å; F218-N233 HydrophobicContact CB-CB 4.26Å; N233-K235 PolarHBondContact O-N 3.17Å; N233-I236 PolarHBondContact O-N 3.4Å
234D84.7Confident87.1Confident90 Ų9044.2 Ų44.248%0.48125%0.252SS..G310 helixtrans-76.5-14.9-178.7-65.6-23.9000113K183 Q184 D232K183-D234 WeakPolarHBondContact CA-O 3.29Å; K183-D234 WeakPolarHBondContact CB-O 3.46Å; K183-D234 VanDerWaalsContact CD-O 3.29Å; K183-D234 WeakPolarHBondContact CD-O 3.11Å; K183-D234 IonicContact NZ-OD1 3.52Å; Q184-D234 PolarHBondContact N-O 2.92Å; D232-D234 PolarHBondContact O-N 2.79Å; D232-D234 PolarHBondContact OD1-N 3.34Å
235K89.8Confident86.5Confident33 Ų3346 Ų4614%0.14326%0.262CS..G310 helixtrans-97.1-1.6177.4-63.5164.1-173.771.30113L156 L157 Q184 L186 L231 D232 N233L156-K235 HydrophobicContact CD1-CB 4.07Å; L157-K235 WeakPolarHBondContact CB-O 3.5Å; L157-K235 PolarHBondContact N-O 3.43Å; Q184-K235 WeakPolarHBondContact O-CG 3.44Å; L186-K235 HydrophobicContact CD2-CD 3.97Å; L186-K235 HydrophobicContact CG-CD 4.07Å; L231-K235 HydrophobicContact CD2-CD 3.88Å; D232-K235 PolarHBondContact O-N 2.9Å; D232-K235 WeakPolarHBondContact OD1-CD 3.46Å; D232-K235 WeakPolarHBondContact OD1-CG 3.43Å; D232-K235 IonicContact OD1-NZ 3.05Å; D232-K235 PolarHBondContact OD1-NZ 3.22Å; D232-K235 IonicContact OD2-NZ 3.75Å; D232-K235 PolarHBondContact OD2-NZ 3.38Å; N233-K235 PolarHBondContact O-N 3.17Å
236I93.6Very high86.3Confident4 Ų438.7 Ų38.72%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-111.8135.4-176-59.2-68.1000111L155 L156 F218 N233 L238L155-I236 CarbonylContact O-C 3.56Å; L155-I236 WeakPolarHBondContact O-CA 3.47Å; L156-I236 HydrophobicContact CB-CD1 4.06Å; L156-I236 HydrophobicContact CD1-CD1 4.05Å; F218-I236 HydrophobicContact CB-CG1 4.3Å; F218-I236 HydrophobicContact CD1-CD1 3.95Å; F218-I236 HydrophobicContact CD1-CG1 3.51Å; F218-I236 HydrophobicContact CD2-CG1 4.16Å; F218-I236 HydrophobicContact CE1-CD1 3.61Å; F218-I236 HydrophobicContact CE1-CG1 3.75Å; F218-I236 HydrophobicContact CE2-CD1 4.21Å; F218-I236 HydrophobicContact CE2-CG1 4.36Å; F218-I236 HydrophobicContact CG-CD1 4.38Å; F218-I236 HydrophobicContact CG-CG1 3.73Å; F218-I236 HydrophobicContact CZ-CD1 3.74Å; F218-I236 HydrophobicContact CZ-CG1 4.16Å; N233-I236 PolarHBondContact O-N 3.4Å; I236-L238 HydrophobicContact CG2-CD2 3.77Å
237L94.4Very high86.5Confident1 Ų142.1 Ų42.11%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-102.8125.1167.8-51.5-175.7000108.6L145 V151 D154 L155 L157 V167 V169 K183L145-L237 HydrophobicContact CD1-CD1 4.44Å; V151-L237 HydrophobicContact CG1-CB 4.07Å; V151-L237 HydrophobicContact CG2-CB 4.23Å; D154-L237 CarbonylContact C-O 3.25Å; D154-L237 WeakPolarHBondContact CA-O 3.49Å; L155-L237 HydrophobicContact CB-CB 4.34Å; L155-L237 PolarHBondContact N-O 3.03Å; L155-L237 PolarHBondContact O-N 3.28Å; L157-L237 HydrophobicContact CB-CG 4.48Å; L157-L237 HydrophobicContact CD1-CD1 4.36Å; V167-L237 HydrophobicContact CG1-CD2 4.38Å; V169-L237 HydrophobicContact CG1-CD2 3.84Å; K183-L237 HydrophobicContact CB-CD2 3.85Å; K183-L237 HydrophobicContact CG-CD2 3.79Å
238L92.5Very high87Confident15 Ų1538.5 Ų38.58%0.07920%0.201CC..PPolyproline II helixtrans-92.4148.9-177-60.8178.1000111.6V151 D154 L174 L215 I236 G240 C241 K261V151-L238 WeakPolarHBondContact CB-O 3.38Å; V151-L238 VanDerWaalsContact CG1-O 3.32Å; V151-L238 WeakPolarHBondContact CG1-O 3.49Å; D154-L238 HydrophobicContact CB-CD2 4.4Å; D154-L238 WeakPolarHBondContact OD1-CA 3.44Å; L174-L238 HydrophobicContact CD1-CB 3.77Å; L174-L238 HydrophobicContact CD1-CD1 4.46Å; L174-L238 HydrophobicContact CD2-CB 4.3Å; L174-L238 HydrophobicContact CD2-CD1 4.5Å; L215-L238 HydrophobicContact CB-CD1 4.5Å; L215-L238 HydrophobicContact CD2-CD1 4.14Å; I236-L238 HydrophobicContact CG2-CD2 3.77Å; L238-G240 PolarHBondContact O-N 3.35Å; L238-C241 VanDerWaalsContact O-CB 3.24Å; L238-C241 WeakPolarHBondContact O-CB 3.32Å; L238-C241 PolarHBondContact O-N 2.72Å; L238-C241 VanDerWaalsContact O-N 3.09Å; L238-C241 PolarHBondContact O-SG 3.16Å; L238-C241 VanDerWaalsContact O-SG 3.34Å; L238-K261 HydrophobicContact CD2-CD 3.82Å; L238-K261 HydrophobicContact CD2-CG 4.29Å
239R88.9Confident87.3Confident7 Ų733.1 Ų33.13%0.02617%0.172CC..THydrogen-bonded Turntrans-59.7131.2170.9-176.1174.2-179.1135.60.4110.1N38 T152 D154 L174 T260 L262N38-R239 PolarHBondContact O-NH1 2.69Å; N38-R239 PolarHBondContact OD1-NH1 2.83Å; T152-R239 PolarHBondContact O-NH1 2.55Å; D154-R239 PolarHBondContact OD1-N 3.05Å; L174-R239 WeakPolarHBondContact CD2-O 3.48Å; R239-T260 HydrophobicContact CB-CG2 4.07Å; R239-L262 HydrophobicContact CG-CD2 4.38Å
240G80.9Confident87.7Confident4 Ų430.2 Ų30.24%0.04116%0.161CC..THydrogen-bonded Turntrans99.9-15.8-173.800000113.4E173 L238E173-G240 WeakPolarHBondContact CB-O 3.36Å; L238-G240 PolarHBondContact O-N 3.35Å
241C88.6Confident88Confident4 Ų427.6 Ų27.63%0.02713%0.134CC..  trans-65.2148.8165.1-67.50000110.8V151 V169 E170 L174 L238V151-C241 HydrophobicContact CB-CB 4.17Å; V151-C241 HydrophobicContact CG2-CB 3.68Å; V151-C241 WeakPolarHBondContact CG2-O 3.43Å; V151-C241 PolarHBondContact N-O 2.89Å; V169-C241 HydrophobicContact CB-CB 4.09Å; V169-C241 HydrophobicContact CG1-CB 4.3Å; E170-C241 CarbonylContact O-C 3.5Å; E170-C241 VanDerWaalsContact O-CA 3.28Å; E170-C241 WeakPolarHBondContact O-CA 3.38Å; L174-C241 HydrophobicContact CD1-CB 4.38Å; L174-C241 WeakPolarHBondContact CD1-SG 3.23Å; L238-C241 VanDerWaalsContact O-CB 3.24Å; L238-C241 WeakPolarHBondContact O-CB 3.32Å; L238-C241 PolarHBondContact O-N 2.72Å; L238-C241 VanDerWaalsContact O-N 3.09Å; L238-C241 PolarHBondContact O-SG 3.16Å; L238-C241 VanDerWaalsContact O-SG 3.34Å
242T86.3Confident88.3Confident11 Ų1127.2 Ų27.27%0.06713%0.132CC..EExtended strand (participates in β ladder)trans-111.3130167.6-54.70000109.8F150 V169 E170 R244F150-T242 WeakPolarHBondContact CD1-OG1 3.41Å; F150-T242 WeakPolarHBondContact CE1-OG1 3.15Å; V169-T242 WeakPolarHBondContact CA-O 3.38Å; E170-T242 PolarHBondContact N-O 3.2Å; E170-T242 PolarHBondContact O-N 3.31Å; T242-R244 PolarHBondContact O-N 2.8Å
243L88.2Confident88.7Confident0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-69.9125.7175.1-174.562000109.3L145 N148 Q149 V167 T246L145-L243 HydrophobicContact CB-CD2 3.89Å; N148-L243 WeakPolarHBondContact CA-O 2.84Å; N148-L243 PolarHBondContact N-O 3.46Å; Q149-L243 PolarHBondContact O-N 3.47Å; V167-L243 HydrophobicContact CG1-CD1 3.16Å; L243-T246 HydrophobicContact CD1-CG2 4.15Å; L243-T246 HydrophobicContact CD2-CG2 4.49Å
244R80.9Confident89.1Confident75 Ų7523.1 Ų23.128%0.28311%0.11SC..EExtended strand (participates in β ladder)trans-130.3156.5178.3-63.3-64.1-170-168.5-0.9109.3N148 Y168 E170 L180 T242 T246N148-R244 VanDerWaalsContact OD1-CD 3.31Å; N148-R244 WeakPolarHBondContact OD1-CD 3.28Å; N148-R244 PolarHBondContact OD1-NH1 2.85Å; Y168-R244 WeakPolarHBondContact CB-O 3.45Å; Y168-R244 PolarHBondContact O-N 3.49Å; E170-R244 HydrophobicContact CB-CG 3.95Å; E170-R244 IonicContact OE2-CZ 2.67Å; E170-R244 VanDerWaalsContact OE2-CZ 3.24Å; E170-R244 IonicContact OE2-NE 3.08Å; E170-R244 PolarHBondContact OE2-NE 3.38Å; E170-R244 IonicContact OE2-NH2 2.73Å; E170-R244 PolarHBondContact OE2-NH2 3.34Å; L180-R244 HydrophobicContact CD1-CB 4.43Å; L180-R244 HydrophobicContact CD2-CB 3.58Å; L180-R244 HydrophobicContact CD2-CG 3.74Å; T242-R244 PolarHBondContact O-N 2.8Å; R244-T246 PolarHBondContact O-N 2.79Å; R244-T246 PolarHBondContact O-OG1 2.87Å
245N73.4Confident89.6Confident51 Ų5118.9 Ų18.927%0.2739%0.087SC..SBendtrans47.131.1172.6-57-11.7000115.3Y168 L180 Q496Y168-N245 HydrophobicContact CD2-CB 3.9Å; Y168-N245 WeakPolarHBondContact CD2-O 3.42Å; Y168-N245 HydrophobicContact CG-CB 4.24Å; L180-N245 WeakPolarHBondContact CD1-ND2 3.39Å; N245-Q496 PolarHBondContact ND2-NE2 2.98Å; N245-Q496 PolarHBondContact ND2-OE1 2.93Å; N245-Q496 PolarHBondContact OD1-NE2 2.93Å
246T81.2Confident89.7Confident1 Ų117.3 Ų17.31%0.0068%0.081CC..  trans-144.6123.8178.4-61.60000104.4S147 S160 S161 E162 V167 Y168 L243 R244 W248S147-T246 VanDerWaalsContact CA-O 3.3Å; S147-T246 WeakPolarHBondContact CA-O 3.39Å; S147-T246 WeakPolarHBondContact CB-O 3.29Å; S147-T246 PolarHBondContact OG-O 3.08Å; S147-T246 VanDerWaalsContact OG-O 3.08Å; S160-T246 VanDerWaalsContact OG-CG2 3.29Å; S160-T246 WeakPolarHBondContact OG-CG2 3.25Å; S161-T246 WeakPolarHBondContact OG-CG2 3.29Å; E162-T246 HydrophobicContact CG-CG2 4.22Å; V167-T246 HydrophobicContact CG2-CG2 4.28Å; Y168-T246 PolarHBondContact N-OG1 3.36Å; L243-T246 HydrophobicContact CD1-CG2 4.15Å; L243-T246 HydrophobicContact CD2-CG2 4.49Å; R244-T246 PolarHBondContact O-N 2.79Å; R244-T246 PolarHBondContact O-OG1 2.87Å; T246-W248 WeakPolarHBondContact CG2-O 3.38Å
247E85.1Confident89.4Confident143 Ų14317.1 Ų17.167%0.6688%0.08SC*.SBendtrans-65.2-45.9-177.7-68.1-172.8166.700110.5E146 S147 S161E146-E247 WeakPolarHBondContact CA-O 3.22Å; S147-E247 PolarHBondContact N-O 2.88Å; S161-E247 PolarHBondContact OG-N 2.82Å
248W92.5Very high89Confident42 Ų4220.1 Ų20.116%0.15910%0.099CC..EExtended strand (participates in β ladder)trans-153.2154.1176.956.6-93.7000112.4L145 S160 S161 G193 D194 T246 F250L145-W248 CarbonylContact O-C 3.44Å; L145-W248 WeakPolarHBondContact O-CA 3.45Å; S160-W248 VanDerWaalsContact C-CH2 3.46Å; S160-W248 VanDerWaalsContact C-CZ3 3.49Å; S160-W248 WeakPolarHBondContact O-CH2 3.47Å; S161-W248 PolarHBondContact N-O 3.42Å; S161-W248 PolarHBondContact OG-N 3.07Å; G193-W248 VanDerWaalsContact C-CH2 3.49Å; D194-W248 HydrophobicContact CB-CH2 3.78Å; D194-W248 HydrophobicContact CB-CZ2 3.64Å; D194-W248 HydrophobicContact CB-CZ3 4.28Å; T246-W248 WeakPolarHBondContact CG2-O 3.38Å; W248-F250 AromaticContact CE3-CD2 3.68Å; W248-F250 HydrophobicContact CE3-CD2 3.68Å; W248-F250 AromaticContact CE3-CE2 3.68Å; W248-F250 HydrophobicContact CE3-CE2 3.68Å; W248-F250 AromaticContact CZ3-CD2 3.68Å; W248-F250 HydrophobicContact CZ3-CD2 3.68Å; W248-F250 AromaticContact CZ3-CE2 3.81Å; W248-F250 HydrophobicContact CZ3-CE2 3.81Å
249C94.9Very high88.9Confident0 Ų020.5 Ų20.50%010%0.101CC..EExtended strand (participates in β ladder)trans-143.5150.8165.570.30000111.6L145 L157 S159 V167L145-C249 PolarHBondContact N-O 3.4Å; L145-C249 PolarHBondContact O-N 2.7Å; L157-C249 HydrophobicContact CD1-CB 3.9Å; S159-C249 CarbonylContact O-C 3.51Å; S159-C249 WeakPolarHBondContact O-CA 3.49Å; S159-C249 WeakPolarHBondContact O-CB 3.32Å; V167-C249 HydrophobicContact CG2-CB 3.78Å
250F95.3Very high89Confident1 Ų120.2 Ų20.20%0.00410%0.1CC..EExtended strand (participates in β ladder)trans-103.5134.3171.3-71.3-92.6000110.9L129 I142 V143 K144 L158 S159 D194 L199 W248L129-F250 HydrophobicContact CD1-CE1 4.49Å; L129-F250 HydrophobicContact CD1-CZ 4.49Å; L129-F250 HydrophobicContact CD2-CE1 4.19Å; I142-F250 HydrophobicContact CG2-CB 4.37Å; I142-F250 HydrophobicContact CG2-CD1 3.97Å; V143-F250 WeakPolarHBondContact O-CA 3.43Å; K144-F250 HydrophobicContact CB-CD1 3.95Å; K144-F250 HydrophobicContact CB-CE1 3.68Å; K144-F250 HydrophobicContact CB-CZ 4.17Å; K144-F250 HydrophobicContact CD-CE1 4.03Å; K144-F250 HydrophobicContact CD-CE2 4.2Å; K144-F250 HydrophobicContact CD-CZ 3.64Å; K144-F250 HydrophobicContact CG-CD1 4.43Å; K144-F250 HydrophobicContact CG-CE1 4.02Å; K144-F250 HydrophobicContact CG-CE2 4.33Å; K144-F250 HydrophobicContact CG-CZ 3.97Å; L158-F250 HydrophobicContact CB-CB 4.48Å; L158-F250 PolarHBondContact N-O 3.13Å; S159-F250 PolarHBondContact N-O 3Å; S159-F250 PolarHBondContact O-N 3.4Å; S159-F250 WeakPolarHBondContact OG-CD2 3.44Å; D194-F250 HydrophobicContact CB-CE2 4.42Å; D194-F250 WeakPolarHBondContact OD1-CE2 3.35Å; D194-F250 WeakPolarHBondContact OD1-CZ 3.44Å; L199-F250 HydrophobicContact CD1-CB 4.31Å; L199-F250 HydrophobicContact CD1-CD1 3.58Å; L199-F250 HydrophobicContact CD1-CD2 3.68Å; L199-F250 HydrophobicContact CD1-CE1 3.6Å; L199-F250 HydrophobicContact CD1-CE2 3.75Å; L199-F250 HydrophobicContact CD1-CG 3.59Å; L199-F250 HydrophobicContact CD1-CZ 3.68Å; L199-F250 HydrophobicContact CD2-CB 4.42Å; W248-F250 AromaticContact CE3-CD2 3.68Å; W248-F250 HydrophobicContact CE3-CD2 3.68Å; W248-F250 AromaticContact CE3-CE2 3.68Å; W248-F250 HydrophobicContact CE3-CE2 3.68Å; W248-F250 AromaticContact CZ3-CD2 3.68Å; W248-F250 HydrophobicContact CZ3-CD2 3.68Å; W248-F250 AromaticContact CZ3-CE2 3.81Å; W248-F250 HydrophobicContact CZ3-CE2 3.81Å
251G94.9Very high89.2Confident1 Ų120 Ų201%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-136.1143.4177.800000113.1I142 V143 L156I142-G251 WeakPolarHBondContact CA-O 3.49Å; V143-G251 PolarHBondContact N-O 2.88Å; V143-G251 PolarHBondContact O-N 3.42Å; L156-G251 CarbonylContact O-C 3.49Å; L156-G251 WeakPolarHBondContact O-CA 3.38Å
252L95.3Very high88.9Confident0 Ų020.9 Ų20.90%010%0.102CC..EExtended strand (participates in β ladder)trans-91.2126.4174.5176.170.8000110.4A24 G140 I142 L155 L156 L158 V206 I254A24-L252 HydrophobicContact CB-CD1 3.84Å; A24-L252 HydrophobicContact CB-CD2 4.13Å; G140-L252 WeakPolarHBondContact O-CD1 3.49Å; I142-L252 HydrophobicContact CG1-CD1 4Å; L155-L252 CarbonylContact C-O 3.35Å; L155-L252 VanDerWaalsContact CA-O 3.27Å; L155-L252 WeakPolarHBondContact CA-O 3.32Å; L156-L252 HydrophobicContact CB-CB 4.27Å; L156-L252 HydrophobicContact CD2-CD2 4.37Å; L156-L252 PolarHBondContact N-O 2.91Å; L156-L252 PolarHBondContact O-N 3.27Å; L158-L252 HydrophobicContact CD1-CB 4.18Å; L158-L252 HydrophobicContact CD2-CB 4.4Å; L158-L252 HydrophobicContact CG-CB 4.36Å; V206-L252 HydrophobicContact CG2-CD2 3.88Å; L252-I254 HydrophobicContact CD2-CD1 4.12Å; L252-I254 HydrophobicContact CG-CD1 4.26Å; L252-I254 PolarHBondContact O-N 3.03Å
253V95.4Very high88.6Confident1 Ų123 Ų231%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-70.8119.3-178.8-178.80000111.2V137 Q138 G140 D141 V143 A153 L155V137-V253 HydrophobicContact CG1-CG1 4.5Å; V137-V253 HydrophobicContact CG1-CG2 3.63Å; Q138-V253 WeakPolarHBondContact O-CB 3.39Å; G140-V253 PolarHBondContact N-O 3.21Å; D141-V253 HydrophobicContact CB-CG2 4.31Å; D141-V253 WeakPolarHBondContact O-CG2 3.45Å; D141-V253 PolarHBondContact O-N 3.22Å; V143-V253 HydrophobicContact CG2-CG2 3.62Å; A153-V253 HydrophobicContact CB-CG1 3.8Å; A153-V253 HydrophobicContact CB-CG2 4.49Å; L155-V253 HydrophobicContact CD2-CB 4.12Å; L155-V253 HydrophobicContact CD2-CG2 3.51Å
254I94.7Very high88.1Confident1 Ų126.9 Ų26.91%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-101-50.5177.8-55.8-56.4000111.3V22 V139 D154 L156 V206 L252V22-I254 HydrophobicContact CG1-CD1 4.46Å; V139-I254 WeakPolarHBondContact CG1-O 3.25Å; D154-I254 PolarHBondContact O-N 3.32Å; L156-I254 HydrophobicContact CB-CD1 4.09Å; L156-I254 HydrophobicContact CB-CG1 3.94Å; V206-I254 HydrophobicContact CB-CD1 4.27Å; V206-I254 HydrophobicContact CG1-CD1 3.99Å; V206-I254 HydrophobicContact CG2-CD1 4.28Å; L252-I254 HydrophobicContact CD2-CD1 4.12Å; L252-I254 HydrophobicContact CG-CD1 4.26Å; L252-I254 PolarHBondContact O-N 3.03Å
255F94.3Very high87.7Confident1 Ų126.8 Ų26.80%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-122.2128.4178.4-52-45.4000111A153 D154 P211 F218 D259 T260A153-F255 WeakPolarHBondContact CB-O 3.36Å; D154-F255 HydrophobicContact CB-CB 4Å; D154-F255 HydrophobicContact CB-CD2 4Å; D154-F255 HydrophobicContact CB-CG 4.41Å; D154-F255 PolarHBondContact N-O 3.27Å; D154-F255 PolarHBondContact O-N 2.95Å; D154-F255 WeakPolarHBondContact OD2-CD2 3.3Å; P211-F255 HydrophobicContact CG-CD1 4.2Å; P211-F255 HydrophobicContact CG-CE1 4.12Å; F218-F255 HydrophobicContact CD2-CE2 4.5Å; F218-F255 HydrophobicContact CE2-CE2 4.04Å; F218-F255 HydrophobicContact CE2-CZ 4.19Å; F255-D259 HydrophobicContact CB-CB 4.17Å; F255-T260 HydrophobicContact CB-CG2 4.45Å; F255-T260 VanDerWaalsContact O-CG2 3.23Å; F255-T260 WeakPolarHBondContact O-CG2 3.31Å
256G91.7Very high87.3Confident1 Ų125.9 Ų25.91%0.0113%0.133CC..  trans-111.1143179.700000113D259G256-D259 PolarHBondContact O-N 3.5Å
257G88.6Confident86.4Confident0 Ų028.3 Ų28.30%016%0.159CC..G310 helixtrans53.1-118.7169.200000113.5N37 N38 D259 T260 M263N37-G257 WeakPolarHBondContact O-CA 3.12Å; N38-G257 PolarHBondContact OD1-N 3.42Å; G257-D259 PolarHBondContact O-N 3.14Å; G257-D259 VanDerWaalsContact O-N 3.17Å; G257-T260 PolarHBondContact O-N 3.49Å; G257-T260 PolarHBondContact O-OG1 3.21Å; G257-M263 WeakPolarHBondContact O-CG 3.44Å
258P85.9Confident85.3Confident63 Ų6330.8 Ų30.841%0.40917%0.167SC..G310 helixtrans-57.3-26.2-179.8-19.428.7000114.8A36 N37 T260 Q264A36-P258 HydrophobicContact CB-CG 4.26Å; N37-P258 WeakPolarHBondContact O-CD 3.2Å; P258-T260 VanDerWaalsContact C-N 3.31Å; P258-Q264 PolarHBondContact O-NE2 3.32Å
259D90.9Very high83.8Confident24 Ų2433.7 Ų33.713%0.12819%0.19CC..G310 helixtrans-81.6-12.8-176.5-67.2-6.7000112.7R20 P211 F255 G256 G257R20-D259 IonicContact CZ-OD2 2.86Å; R20-D259 VanDerWaalsContact CZ-OD2 3.31Å; R20-D259 IonicContact NH1-OD2 3.55Å; R20-D259 PolarHBondContact NH1-OD2 2.95Å; R20-D259 IonicContact NH2-OD2 3.19Å; R20-D259 PolarHBondContact NH2-OD2 3.42Å; P211-D259 HydrophobicContact CB-CB 4.21Å; P211-D259 HydrophobicContact CG-CB 3.85Å; F255-D259 HydrophobicContact CB-CB 4.17Å; G256-D259 PolarHBondContact O-N 3.5Å; G257-D259 PolarHBondContact O-N 3.14Å; G257-D259 VanDerWaalsContact O-N 3.17Å
260T89.4Confident82.3Confident0 Ų041.8 Ų41.80%023%0.225CC..SBendtrans-63.9145.317857.70000111.4D154 R239 F255 G257 P258 L262 M263 Q264D154-T260 VanDerWaalsContact OD2-CA 3.31Å; D154-T260 WeakPolarHBondContact OD2-CA 3.47Å; R239-T260 HydrophobicContact CB-CG2 4.07Å; F255-T260 HydrophobicContact CB-CG2 4.45Å; F255-T260 VanDerWaalsContact O-CG2 3.23Å; F255-T260 WeakPolarHBondContact O-CG2 3.31Å; G257-T260 PolarHBondContact O-N 3.49Å; G257-T260 PolarHBondContact O-OG1 3.21Å; P258-T260 VanDerWaalsContact C-N 3.31Å; T260-L262 PolarHBondContact O-N 3.2Å; T260-M263 PolarHBondContact O-N 2.89Å; T260-M263 WeakPolarHBondContact OG1-CB 3.31Å; T260-M263 VanDerWaalsContact OG1-CG 3.25Å; T260-M263 WeakPolarHBondContact OG1-CG 3.34Å; T260-Q264 WeakPolarHBondContact O-CG 3.39Å; T260-Q264 PolarHBondContact O-N 2.94Å
261K86.6Confident80.9Confident1 Ų147.9 Ų47.90%0.00425%0.252CS..Hα-helixtrans-59.6-33.2-177.8-63-167.4176.9-175.40113D154 R214 L215 K217 L238 Q264 N265D154-K261 PolarHBondContact OD2-N 2.99Å; R214-K261 WeakPolarHBondContact O-CD 3.47Å; R214-K261 WeakPolarHBondContact O-CE 3.39Å; R214-K261 PolarHBondContact O-NZ 3.2Å; L215-K261 HydrophobicContact CD2-CB 3.91Å; K217-K261 PolarHBondContact O-NZ 2.69Å; L238-K261 HydrophobicContact CD2-CD 3.82Å; L238-K261 HydrophobicContact CD2-CG 4.29Å; K261-Q264 PolarHBondContact O-N 3.48Å; K261-N265 PolarHBondContact O-N 3.15Å; K261-N265 VanDerWaalsContact O-N 3.08Å; K261-N265 PolarHBondContact O-ND2 3.16Å
262L81.8Confident80Confident21 Ų2149.6 Ų49.611%0.1126%0.259CS..Hα-helixtrans-60.9-46.5173.9-178.869.6000111.5L174 R239 T260 N265 S266L174-L262 HydrophobicContact CD2-CB 4.03Å; L174-L262 HydrophobicContact CD2-CD1 3.79Å; L174-L262 HydrophobicContact CD2-CG 4.45Å; L174-L262 HydrophobicContact CG-CD1 4.37Å; R239-L262 HydrophobicContact CG-CD2 4.38Å; T260-L262 PolarHBondContact O-N 3.2Å; L262-N265 PolarHBondContact O-N 2.77Å; L262-S266 PolarHBondContact O-N 2.84Å; L262-S266 PolarHBondContact O-OG 3.3Å
263M79Confident79Confident56 Ų5657.4 Ų57.428%0.27629%0.288SS..Hα-helixtrans-72-32.6-178.6-68.9-56.6-58.300112.3I40 G257 T260 N265 S266I40-M263 HydrophobicContact CD1-CG 4.47Å; I40-M263 HydrophobicContact CD1-SD 3.81Å; I40-M263 HydrophobicContact CG1-SD 4.45Å; I40-M263 HydrophobicContact CG2-CE 4.32Å; G257-M263 WeakPolarHBondContact O-CG 3.44Å; T260-M263 PolarHBondContact O-N 2.89Å; T260-M263 WeakPolarHBondContact OG1-CB 3.31Å; T260-M263 VanDerWaalsContact OG1-CG 3.25Å; T260-M263 WeakPolarHBondContact OG1-CG 3.34Å; M263-N265 VanDerWaalsContact C-N 3.31Å; M263-S266 PolarHBondContact O-N 2.89Å
264Q79.1Confident78.4Confident82 Ų8257.5 Ų57.538%0.38329%0.289SS..Hα-helixtrans-63.4-36.8171.3-66.3-64.4-3400112N213 P258 T260 K261N213-Q264 HydrophobicContact CB-CB 4.28Å; P258-Q264 PolarHBondContact O-NE2 3.32Å; T260-Q264 WeakPolarHBondContact O-CG 3.39Å; T260-Q264 PolarHBondContact O-N 2.94Å; K261-Q264 PolarHBondContact O-N 3.48Å
265N71.1Confident77.7Confident72 Ų7259.4 Ų59.439%0.38530%0.302SS..Hα-helixtrans-79.1-24.9175.1-82.1-61.8000114.3N213 K261 L262 M263 G267N213-N265 PolarHBondContact O-ND2 3.39Å; N213-N265 PolarHBondContact O-OD1 3.21Å; K261-N265 PolarHBondContact O-N 3.15Å; K261-N265 VanDerWaalsContact O-N 3.08Å; K261-N265 PolarHBondContact O-ND2 3.16Å; L262-N265 PolarHBondContact O-N 2.77Å; M263-N265 VanDerWaalsContact C-N 3.31Å; N265-G267 PolarHBondContact O-N 3.19Å; N265-G267 VanDerWaalsContact O-N 3.12Å
266S64.8Low77.1Confident32 Ų3259.8 Ų59.822%0.22430%0.304CS..Hα-helixtrans-63.6-20.9-177.6-67.30000113.4L262 M263 K831L262-S266 PolarHBondContact O-N 2.84Å; L262-S266 PolarHBondContact O-OG 3.3Å; M263-S266 PolarHBondContact O-N 2.89Å; S266-K831 PolarHBondContact O-NZ 2.92Å
267G63.3Low76.6Confident53 Ų5360.6 Ų60.655%0.54631%0.308SS..  trans61.2174.5177.300000114N265N265-G267 PolarHBondContact O-N 3.19Å; N265-G267 VanDerWaalsContact O-N 3.12Å
268K62.8Low76.3Confident194 Ų19465.4 Ų65.484%0.84333%0.33SS*.PPolyproline II helixtrans-87132.1173.8-66.8-177.7-178.7177.80109.9K270K268-K270 PolarHBondContact O-N 3.47Å
269T60.8Low76.1Confident103 Ų10363.9 Ų63.963%0.63232%0.319SS*.PPolyproline II helixtrans-63.4119.2172.149.20000109.6
270K62.7Low75.5Confident170 Ų17063.1 Ų63.174%0.73931%0.314SS*.PPolyproline II helixtrans-90.7134.6175.4-68.1-179.9-176.81710108.6K268 K272K268-K270 PolarHBondContact O-N 3.47Å; K270-K272 PolarHBondContact O-N 3.41Å
271F66.6Low75.2Confident129 Ų12965.9 Ų65.957%0.56633%0.329SS*.  trans-71115.1171-175.2-98.9000109.1R273F271-R273 HydrophobicContact CD1-CG 3.75Å; F271-R273 HydrophobicContact CE1-CG 3.67Å
272K75.2Confident75Confident37 Ų3768.4 Ų68.416%0.16134%0.342CS..  trans-80.9134177.5-62.6177.9171.1-167.80108.9K270 L385 I830 A833 H834 D852K270-K272 PolarHBondContact O-N 3.41Å; K272-L385 HydrophobicContact CB-CD1 4.19Å; K272-L385 HydrophobicContact CB-CD2 4.07Å; K272-L385 HydrophobicContact CD-CD1 4.05Å; K272-I830 PolarHBondContact NZ-O 3.44Å; K272-A833 WeakPolarHBondContact CE-O 3.21Å; K272-A833 PolarHBondContact NZ-O 2.85Å; K272-A833 VanDerWaalsContact NZ-O 3.09Å; K272-H834 WeakPolarHBondContact CD-O 3.16Å; K272-D852 WeakPolarHBondContact CD-OD2 3.31Å; K272-D852 IonicContact NZ-OD2 2.97Å; K272-D852 PolarHBondContact NZ-OD2 3.27Å
273R75.3Confident75Confident165 Ų16567.8 Ų67.862%0.62334%0.339SS*.  trans-119142.8178.1-74.8-175.7178.7-176.3-1.4109F271F271-R273 HydrophobicContact CD1-CG 3.75Å; F271-R273 HydrophobicContact CE1-CG 3.67Å
274T82.7Confident75.2Confident2 Ų265.4 Ų65.41%0.01233%0.328CS..  trans-79156.8-17766.90000112.7I276 D277 H278 R356 T384 L385 E387 E388T274-I276 PolarHBondContact O-N 3.08Å; T274-D277 WeakPolarHBondContact O-CB 3.48Å; T274-D277 PolarHBondContact O-N 3.08Å; T274-D277 VanDerWaalsContact O-N 3.16Å; T274-D277 PolarHBondContact OG1-N 3.47Å; T274-D277 VanDerWaalsContact OG1-N 3.08Å; T274-H278 PolarHBondContact O-N 3.38Å; T274-H278 VanDerWaalsContact O-N 3.11Å; T274-R356 PolarHBondContact OG1-NH2 3.49Å; T274-T384 WeakPolarHBondContact CG2-O 3.41Å; T274-L385 HydrophobicContact CG2-CD2 3.77Å; T274-E387 WeakPolarHBondContact CG2-OE1 3.45Å; T274-E387 PolarHBondContact OG1-OE1 2.97Å; T274-E388 WeakPolarHBondContact CA-OE1 3.2Å; T274-E388 HydrophobicContact CG2-CG 3.67Å
275S79.9Confident75.4Confident41 Ų4164.3 Ų64.329%0.28732%0.324SS..Hα-helixtrans-55.8-38.3170.467.20000111.9H278 L279 E388 Q391S275-H278 PolarHBondContact O-N 2.83Å; S275-L279 PolarHBondContact O-N 3.05Å; S275-E388 PolarHBondContact N-OE1 3.19Å; S275-Q391 PolarHBondContact OG-OE1 2.86Å
276I81.9Confident76.1Confident9 Ų964.2 Ų64.25%0.04633%0.329CS..Hα-helixtrans-66.4-40.9176.1-73.4167.2000111.3T274 H278 L279 M280 E387 Y873 M876 L880T274-I276 PolarHBondContact O-N 3.08Å; I276-H278 VanDerWaalsContact C-N 3.3Å; I276-H278 PolarHBondContact O-N 3.12Å; I276-L279 PolarHBondContact O-N 2.98Å; I276-M280 VanDerWaalsContact O-CB 3.28Å; I276-M280 WeakPolarHBondContact O-CB 3.42Å; I276-M280 PolarHBondContact O-N 3.39Å; I276-E387 HydrophobicContact CD1-CB 4.28Å; I276-E387 HydrophobicContact CD1-CG 3.69Å; I276-Y873 HydrophobicContact CD1-CD2 4.11Å; I276-Y873 HydrophobicContact CD1-CE2 4.01Å; I276-M876 HydrophobicContact CD1-CG 4.34Å; I276-L880 HydrophobicContact CG2-CD1 3.65Å
277D80.4Confident77.1Confident19 Ų1963 Ų6310%0.10232%0.319CS..Hα-helixtrans-60.2-41.3173.7-79.6-19.2000111.7T274 M280 N281 R356T274-D277 WeakPolarHBondContact O-CB 3.48Å; T274-D277 PolarHBondContact O-N 3.08Å; T274-D277 VanDerWaalsContact O-N 3.16Å; T274-D277 PolarHBondContact OG1-N 3.47Å; T274-D277 VanDerWaalsContact OG1-N 3.08Å; D277-M280 PolarHBondContact O-N 2.94Å; D277-N281 VanDerWaalsContact O-CG 3.31Å; D277-N281 PolarHBondContact O-N 3.4Å; D277-N281 PolarHBondContact O-ND2 3.33Å; D277-R356 VanDerWaalsContact CG-NH2 3.3Å; D277-R356 IonicContact OD1-CZ 2.7Å; D277-R356 IonicContact OD1-NH1 3.5Å; D277-R356 PolarHBondContact OD1-NH1 3.23Å; D277-R356 VanDerWaalsContact OD1-NH1 3.16Å; D277-R356 IonicContact OD1-NH2 2.62Å; D277-R356 PolarHBondContact OD1-NH2 2.91Å; D277-R356 IonicContact OD2-CZ 3.86Å; D277-R356 IonicContact OD2-NH1 2.8Å; D277-R356 IonicContact OD2-NH2 3.32Å
278H81.6Confident78.2Confident100 Ų10062.3 Ų62.346%0.46330%0.301SS..Hα-helixtrans-65.6-44177-165.9-48.1000111.5T274 S275 I276 N281 I282T274-H278 PolarHBondContact O-N 3.38Å; T274-H278 VanDerWaalsContact O-N 3.11Å; S275-H278 PolarHBondContact O-N 2.83Å; I276-H278 VanDerWaalsContact C-N 3.3Å; I276-H278 PolarHBondContact O-N 3.12Å; H278-N281 PolarHBondContact O-N 3.41Å; H278-I282 WeakPolarHBondContact ND1-CD1 3.4Å; H278-I282 WeakPolarHBondContact O-CG1 3.44Å; H278-I282 PolarHBondContact O-N 2.67Å
279L81.6Confident79.5Confident32 Ų3255 Ų5517%0.16828%0.281CS..Hα-helixtrans-63.2-44.3176.6179.458.9000111.1S275 I276 N281 I282 L283 F957 K959S275-L279 PolarHBondContact O-N 3.05Å; I276-L279 PolarHBondContact O-N 2.98Å; L279-N281 VanDerWaalsContact C-N 3.34Å; L279-N281 PolarHBondContact O-N 3.44Å; L279-I282 PolarHBondContact O-N 3.45Å; L279-I282 VanDerWaalsContact O-N 3.16Å; L279-L283 HydrophobicContact CD1-CD1 4.29Å; L279-L283 HydrophobicContact CD1-CG 4.13Å; L279-L283 HydrophobicContact CG-CD1 4Å; L279-L283 HydrophobicContact CG-CG 4.29Å; L279-L283 WeakPolarHBondContact O-CG 3.39Å; L279-L283 PolarHBondContact O-N 3.24Å; L279-F957 HydrophobicContact CD2-CD1 3.49Å; L279-F957 VanDerWaalsContact CD2-CD1 3.49Å; L279-F957 HydrophobicContact CD2-CE1 3.51Å; L279-F957 HydrophobicContact CG-CD1 4.46Å; L279-F957 HydrophobicContact CG-CE1 4.02Å; L279-K959 HydrophobicContact CD1-CG 4.37Å
280M79.9Confident80.8Confident7 Ų752.9 Ų52.93%0.03426%0.263CS..Hα-helixtrans-58.5-44.2177-177.8177.455.500111.4I276 D277 I282 L283 V284 L348 Y349I276-M280 VanDerWaalsContact O-CB 3.28Å; I276-M280 WeakPolarHBondContact O-CB 3.42Å; I276-M280 PolarHBondContact O-N 3.39Å; D277-M280 PolarHBondContact O-N 2.94Å; M280-I282 VanDerWaalsContact C-N 3.34Å; M280-I282 PolarHBondContact O-N 3.29Å; M280-L283 PolarHBondContact O-N 3.39Å; M280-V284 HydrophobicContact CG-CG2 4.32Å; M280-V284 WeakPolarHBondContact O-CB 3.29Å; M280-V284 VanDerWaalsContact O-CG2 3.27Å; M280-V284 WeakPolarHBondContact O-CG2 3.13Å; M280-V284 PolarHBondContact O-N 3.1Å; M280-L348 HydrophobicContact CG-CD2 4.31Å; M280-L348 HydrophobicContact SD-CD2 3.84Å; M280-L348 HydrophobicContact SD-CG 4.18Å; M280-Y349 HydrophobicContact CE-CD1 3.75Å; M280-Y349 HydrophobicContact CE-CE1 3.37Å; M280-Y349 HydrophobicContact SD-CD1 4.2Å; M280-Y349 HydrophobicContact SD-CE1 3.83Å
281N81.8Confident82.1Confident58 Ų5845.1 Ų45.131%0.3123%0.229SC..Hα-helixtrans-61.9-40.2176.2-72.4-39.9000112.6D277 H278 L279 L285D277-N281 VanDerWaalsContact O-CG 3.31Å; D277-N281 PolarHBondContact O-N 3.4Å; D277-N281 PolarHBondContact O-ND2 3.33Å; H278-N281 PolarHBondContact O-N 3.41Å; L279-N281 VanDerWaalsContact C-N 3.34Å; L279-N281 PolarHBondContact O-N 3.44Å; N281-L285 WeakPolarHBondContact O-CG 3.42Å; N281-L285 PolarHBondContact O-N 3.02Å; N281-L285 VanDerWaalsContact O-N 3.14Å
282I83Confident83.3Confident54 Ų5444.6 Ų44.628%0.27723%0.227SC..Hα-helixtrans-64.4-47.3174.6-66.5169.2000110.2H278 L279 M280 V284 L285 C286H278-I282 WeakPolarHBondContact ND1-CD1 3.4Å; H278-I282 WeakPolarHBondContact O-CG1 3.44Å; H278-I282 PolarHBondContact O-N 2.67Å; L279-I282 PolarHBondContact O-N 3.45Å; L279-I282 VanDerWaalsContact O-N 3.16Å; M280-I282 VanDerWaalsContact C-N 3.34Å; M280-I282 PolarHBondContact O-N 3.29Å; I282-V284 VanDerWaalsContact C-N 3.35Å; I282-V284 PolarHBondContact O-N 3.5Å; I282-L285 PolarHBondContact O-N 3.17Å; I282-C286 PolarHBondContact O-N 3.03Å; I282-C286 PolarHBondContact O-SG 3.4Å; I282-C286 VanDerWaalsContact O-SG 3.36Å
283L82.6Confident84.1Confident8 Ų846.2 Ų46.24%0.04224%0.24CC..Hα-helixtrans-61.5-43.1-180-70177000111.3L279 M280 L285 C286 I287 F957 F962L279-L283 HydrophobicContact CD1-CD1 4.29Å; L279-L283 HydrophobicContact CD1-CG 4.13Å; L279-L283 HydrophobicContact CG-CD1 4Å; L279-L283 HydrophobicContact CG-CG 4.29Å; L279-L283 WeakPolarHBondContact O-CG 3.39Å; L279-L283 PolarHBondContact O-N 3.24Å; M280-L283 PolarHBondContact O-N 3.39Å; L283-L285 VanDerWaalsContact C-N 3.33Å; L283-L285 PolarHBondContact O-N 3.12Å; L283-C286 CarbonylContact O-C 3.43Å; L283-C286 WeakPolarHBondContact O-CB 3.41Å; L283-C286 PolarHBondContact O-N 2.88Å; L283-C286 VanDerWaalsContact O-N 3.13Å; L283-I287 WeakPolarHBondContact O-CB 3.43Å; L283-I287 WeakPolarHBondContact O-CG1 3.49Å; L283-I287 PolarHBondContact O-N 2.82Å; L283-F957 HydrophobicContact CD1-CE1 3.93Å; L283-F957 HydrophobicContact CD1-CZ 3.63Å; L283-F962 HydrophobicContact CD1-CD2 4.05Å; L283-F962 HydrophobicContact CD1-CG 4.46Å; L283-F962 HydrophobicContact CD2-CB 4.31Å; L283-F962 HydrophobicContact CD2-CD1 3.96Å; L283-F962 HydrophobicContact CD2-CD2 4.04Å; L283-F962 HydrophobicContact CD2-CE1 4.28Å; L283-F962 HydrophobicContact CD2-CE2 4.34Å; L283-F962 HydrophobicContact CD2-CG 3.83Å; L283-F962 HydrophobicContact CD2-CZ 4.45Å
284V81.9Confident84.9Confident7 Ų739 Ų394%0.04221%0.214CC..Hα-helixtrans-61.8-39.7176.9168.70000111.6M280 I282 I287 F288 V344M280-V284 HydrophobicContact CG-CG2 4.32Å; M280-V284 WeakPolarHBondContact O-CB 3.29Å; M280-V284 VanDerWaalsContact O-CG2 3.27Å; M280-V284 WeakPolarHBondContact O-CG2 3.13Å; M280-V284 PolarHBondContact O-N 3.1Å; I282-V284 VanDerWaalsContact C-N 3.35Å; I282-V284 PolarHBondContact O-N 3.5Å; V284-I287 PolarHBondContact O-N 2.93Å; V284-F288 HydrophobicContact CG1-CD2 4.06Å; V284-F288 HydrophobicContact CG1-CE2 3.55Å; V284-F288 HydrophobicContact CG1-CZ 3.86Å; V284-F288 WeakPolarHBondContact O-CD2 3.4Å; V284-F288 WeakPolarHBondContact O-CG 3.36Å; V284-F288 PolarHBondContact O-N 2.85Å; V284-V344 HydrophobicContact CG1-CG1 4.06Å
285L83.4Confident85.4Confident58 Ų5838.9 Ų38.930%0.30421%0.213SC..Hα-helixtrans-63.7-42.9172.3-73172.8000112.4L62 N281 I282 L283 I287 F288 G289L62-L285 HydrophobicContact CD1-CD2 4.16Å; N281-L285 WeakPolarHBondContact O-CG 3.42Å; N281-L285 PolarHBondContact O-N 3.02Å; N281-L285 VanDerWaalsContact O-N 3.14Å; I282-L285 PolarHBondContact O-N 3.17Å; L283-L285 VanDerWaalsContact C-N 3.33Å; L283-L285 PolarHBondContact O-N 3.12Å; L285-I287 VanDerWaalsContact C-N 3.27Å; L285-I287 PolarHBondContact O-N 3.47Å; L285-F288 HydrophobicContact CD2-CD2 4.42Å; L285-F288 PolarHBondContact O-N 3.01Å; L285-G289 PolarHBondContact O-N 3.21Å
286C85Confident86Confident71 Ų7142.3 Ų42.348%0.4822%0.223SC..Hα-helixtrans-60.8-39.7174-67.60000111.5I282 L283 G289 F290I282-C286 PolarHBondContact O-N 3.03Å; I282-C286 PolarHBondContact O-SG 3.4Å; I282-C286 VanDerWaalsContact O-SG 3.36Å; L283-C286 CarbonylContact O-C 3.43Å; L283-C286 WeakPolarHBondContact O-CB 3.41Å; L283-C286 PolarHBondContact O-N 2.88Å; L283-C286 VanDerWaalsContact O-N 3.13Å; C286-G289 PolarHBondContact O-N 3.18Å; C286-F290 WeakPolarHBondContact O-CB 3.46Å; C286-F290 PolarHBondContact O-N 3.24Å
287I86.8Confident86.6Confident5 Ų546.1 Ų46.13%0.02624%0.243CC..Hα-helixtrans-66.4-41.2177.5-70166.5000111.1L283 V284 L285 G289 F290 L291 V343 V344 F884 F888 F962L283-I287 WeakPolarHBondContact O-CB 3.43Å; L283-I287 WeakPolarHBondContact O-CG1 3.49Å; L283-I287 PolarHBondContact O-N 2.82Å; V284-I287 PolarHBondContact O-N 2.93Å; L285-I287 VanDerWaalsContact C-N 3.27Å; L285-I287 PolarHBondContact O-N 3.47Å; I287-G289 VanDerWaalsContact C-N 3.34Å; I287-G289 PolarHBondContact O-N 2.83Å; I287-F290 PolarHBondContact O-N 3.5Å; I287-L291 WeakPolarHBondContact O-CB 3.09Å; I287-L291 PolarHBondContact O-N 3.31Å; I287-V343 HydrophobicContact CG2-CB 4.42Å; I287-V343 HydrophobicContact CG2-CG1 3.03Å; I287-V344 HydrophobicContact CB-CG2 4.3Å; I287-V344 HydrophobicContact CG2-CG2 3.46Å; I287-V344 VanDerWaalsContact CG2-CG2 3.46Å; I287-F884 HydrophobicContact CD1-CD1 4.11Å; I287-F884 HydrophobicContact CD1-CE1 3.59Å; I287-F884 HydrophobicContact CD1-CZ 4.42Å; I287-F888 HydrophobicContact CD1-CE1 4.44Å; I287-F888 HydrophobicContact CD1-CZ 3.94Å; I287-F888 HydrophobicContact CG1-CE1 4.37Å; I287-F888 HydrophobicContact CG1-CZ 4.05Å; I287-F962 HydrophobicContact CD1-CE2 4.07Å; I287-F962 HydrophobicContact CD1-CZ 3.97Å; I287-F962 HydrophobicContact CG1-CE2 4.44Å; I287-F962 HydrophobicContact CG1-CZ 3.83Å
288F87.1Confident87.2Confident40 Ų4045.2 Ų45.218%0.17524%0.238CC..Hα-helixtrans-61.3-42.6173.2-72.6-40.3000112.2Y66 V284 L285 F290 L291 F292 V344Y66-F288 AromaticContact CD1-CE1 3.45Å; Y66-F288 HydrophobicContact CD1-CE1 3.45Å; Y66-F288 VanDerWaalsContact CD1-CE1 3.45Å; Y66-F288 AromaticContact CD1-CZ 3.62Å; Y66-F288 HydrophobicContact CD1-CZ 3.62Å; Y66-F288 HydrophobicContact CD2-CD1 4.2Å; Y66-F288 AromaticContact CD2-CE1 3.54Å; Y66-F288 HydrophobicContact CD2-CE1 3.54Å; Y66-F288 AromaticContact CD2-CZ 3.86Å; Y66-F288 HydrophobicContact CD2-CZ 3.86Å; Y66-F288 HydrophobicContact CE1-CD1 4.45Å; Y66-F288 AromaticContact CE1-CE1 3.47Å; Y66-F288 HydrophobicContact CE1-CE1 3.47Å; Y66-F288 VanDerWaalsContact CE1-CE1 3.47Å; Y66-F288 HydrophobicContact CE1-CZ 4.13Å; Y66-F288 AromaticContact CE2-CD1 4Å; Y66-F288 HydrophobicContact CE2-CD1 4Å; Y66-F288 AromaticContact CE2-CE1 3.58Å; Y66-F288 HydrophobicContact CE2-CE1 3.58Å; Y66-F288 HydrophobicContact CE2-CZ 4.37Å; Y66-F288 AromaticContact CG-CE1 3.46Å; Y66-F288 HydrophobicContact CG-CE1 3.46Å; Y66-F288 VanDerWaalsContact CG-CE1 3.46Å; Y66-F288 HydrophobicContact CG-CE2 4.5Å; Y66-F288 AromaticContact CG-CZ 3.44Å; Y66-F288 HydrophobicContact CG-CZ 3.44Å; Y66-F288 VanDerWaalsContact CG-CZ 3.44Å; Y66-F288 AromaticContact CZ-CE1 3.53Å; V284-F288 HydrophobicContact CG1-CD2 4.06Å; V284-F288 HydrophobicContact CG1-CE2 3.55Å; V284-F288 HydrophobicContact CG1-CZ 3.86Å; V284-F288 WeakPolarHBondContact O-CD2 3.4Å; V284-F288 WeakPolarHBondContact O-CG 3.36Å; V284-F288 PolarHBondContact O-N 2.85Å; L285-F288 HydrophobicContact CD2-CD2 4.42Å; L285-F288 PolarHBondContact O-N 3.01Å; F288-F290 VanDerWaalsContact C-N 3.33Å; F288-F290 PolarHBondContact O-N 2.95Å; F288-L291 PolarHBondContact O-N 3.26Å; F288-F292 WeakPolarHBondContact O-CB 2.94Å; F288-F292 PolarHBondContact O-N 3.26Å; F288-V344 HydrophobicContact CD1-CG2 3.68Å; F288-V344 HydrophobicContact CE1-CB 3.85Å; F288-V344 HydrophobicContact CE1-CG1 3.83Å; F288-V344 HydrophobicContact CE1-CG2 3.45Å; F288-V344 VanDerWaalsContact CE1-CG2 3.45Å; F288-V344 HydrophobicContact CZ-CB 4.46Å; F288-V344 HydrophobicContact CZ-CG1 3.93Å; F288-V344 HydrophobicContact CZ-CG2 4.25Å
289G88.9Confident87.8Confident40 Ų4040.7 Ų40.741%0.41222%0.218SC..Hα-helixtrans-59.1-45.9173.400000111.7L285 C286 I287 F292 T293L285-G289 PolarHBondContact O-N 3.21Å; C286-G289 PolarHBondContact O-N 3.18Å; I287-G289 VanDerWaalsContact C-N 3.34Å; I287-G289 PolarHBondContact O-N 2.83Å; G289-F292 PolarHBondContact O-N 2.86Å; G289-T293 WeakPolarHBondContact O-CG2 3.4Å; G289-T293 PolarHBondContact O-N 3.07Å; G289-T293 PolarHBondContact O-OG1 2.79Å
290F88.9Confident88.3Confident59 Ų5943 Ų4326%0.25923%0.23SC..Hα-helixtrans-63.3-44.6177.3178.9-111.2000112.8C286 I287 F288 F292 T293 L294 F892C286-F290 WeakPolarHBondContact O-CB 3.46Å; C286-F290 PolarHBondContact O-N 3.24Å; I287-F290 PolarHBondContact O-N 3.5Å; F288-F290 VanDerWaalsContact C-N 3.33Å; F288-F290 PolarHBondContact O-N 2.95Å; F290-F292 PolarHBondContact O-N 3.46Å; F290-T293 WeakPolarHBondContact CA-OG1 3.33Å; F290-T293 PolarHBondContact O-N 3.15Å; F290-T293 PolarHBondContact O-OG1 2.89Å; F290-L294 HydrophobicContact CD1-CD1 4.04Å; F290-L294 HydrophobicContact CE1-CD1 3.47Å; F290-L294 VanDerWaalsContact CE1-CD1 3.47Å; F290-L294 HydrophobicContact CE1-CG 4.22Å; F290-L294 HydrophobicContact CE2-CD1 4.31Å; F290-L294 HydrophobicContact CE2-CD2 4.31Å; F290-L294 HydrophobicContact CE2-CG 4.24Å; F290-L294 HydrophobicContact CZ-CD1 3.62Å; F290-L294 HydrophobicContact CZ-CD2 4.19Å; F290-L294 HydrophobicContact CZ-CG 4.03Å; F290-L294 PolarHBondContact O-N 3.42Å; F290-F892 AromaticContact CE1-CE1 3.56Å; F290-F892 HydrophobicContact CE1-CE1 3.56Å; F290-F892 AromaticContact CE1-CZ 3.79Å; F290-F892 HydrophobicContact CE1-CZ 3.79Å; F290-F892 AromaticContact CZ-CE1 3.61Å; F290-F892 HydrophobicContact CZ-CE1 3.61Å; F290-F892 AromaticContact CZ-CZ 3.77Å; F290-F892 HydrophobicContact CZ-CZ 3.77Å
291L90.5Very high88.8Confident6 Ų643.3 Ų43.33%0.03124%0.235CC..Hα-helixtrans-57.1-49.7174.9175.665000111.1Y66 I287 F288 T293 L294 C295 L340Y66-L291 WeakPolarHBondContact OH-CD2 3.24Å; I287-L291 WeakPolarHBondContact O-CB 3.09Å; I287-L291 PolarHBondContact O-N 3.31Å; F288-L291 PolarHBondContact O-N 3.26Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 2.82Å; L291-L294 PolarHBondContact O-N 3.38Å; L291-L294 VanDerWaalsContact O-N 3.16Å; L291-C295 PolarHBondContact O-N 3.02Å; L291-C295 PolarHBondContact O-SG 3.47Å; L291-L340 HydrophobicContact CD1-CB 3.44Å; L291-L340 VanDerWaalsContact CD1-CB 3.44Å; L291-L340 HydrophobicContact CD1-CD1 4.45Å
292F91.1Very high89.3Confident119 Ų11940.8 Ų40.852%0.52222%0.221SC..Hα-helixtrans-57.4-42.7177.8-174.3-86.4000111.5F288 G289 F290 C295 F296 F333F288-F292 WeakPolarHBondContact O-CB 2.94Å; F288-F292 PolarHBondContact O-N 3.26Å; G289-F292 PolarHBondContact O-N 2.86Å; F290-F292 PolarHBondContact O-N 3.46Å; F292-C295 PolarHBondContact O-N 3.2Å; F292-F296 WeakPolarHBondContact O-CB 3.39Å; F292-F296 PolarHBondContact O-N 2.87Å; F292-F333 HydrophobicContact CD2-CE2 4.29Å; F292-F333 AromaticContact CD2-CZ 3.59Å; F292-F333 HydrophobicContact CD2-CZ 3.59Å; F292-F333 HydrophobicContact CE2-CE1 4.21Å; F292-F333 HydrophobicContact CE2-CE2 4.14Å; F292-F333 AromaticContact CE2-CZ 3.39Å; F292-F333 HydrophobicContact CE2-CZ 3.39Å; F292-F333 HydrophobicContact CG-CZ 4.39Å; F292-F333 HydrophobicContact CZ-CE2 4.42Å; F292-F333 HydrophobicContact CZ-CZ 4.05Å
293T92.1Very high89.6Confident70 Ų7039.5 Ų39.543%0.42922%0.219SC..Hα-helixtrans-64.4-40.2177.156.20000113.1G289 F290 L291 F296 I297G289-T293 WeakPolarHBondContact O-CG2 3.4Å; G289-T293 PolarHBondContact O-N 3.07Å; G289-T293 PolarHBondContact O-OG1 2.79Å; F290-T293 WeakPolarHBondContact CA-OG1 3.33Å; F290-T293 PolarHBondContact O-N 3.15Å; F290-T293 PolarHBondContact O-OG1 2.89Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 2.82Å; T293-F296 PolarHBondContact O-N 3.48Å; T293-I297 WeakPolarHBondContact O-CG1 3.48Å; T293-I297 PolarHBondContact O-N 3.13Å; T293-I297 VanDerWaalsContact O-N 3.08Å
294L91.7Very high89.9Confident14 Ų1442.4 Ų42.47%0.07324%0.236CC..Hα-helixtrans-65.7-48.2176.6-70.2178.8000111.5F290 L291 F296 I297 L298 L340 F892 F895F290-L294 HydrophobicContact CD1-CD1 4.04Å; F290-L294 HydrophobicContact CE1-CD1 3.47Å; F290-L294 VanDerWaalsContact CE1-CD1 3.47Å; F290-L294 HydrophobicContact CE1-CG 4.22Å; F290-L294 HydrophobicContact CE2-CD1 4.31Å; F290-L294 HydrophobicContact CE2-CD2 4.31Å; F290-L294 HydrophobicContact CE2-CG 4.24Å; F290-L294 HydrophobicContact CZ-CD1 3.62Å; F290-L294 HydrophobicContact CZ-CD2 4.19Å; F290-L294 HydrophobicContact CZ-CG 4.03Å; F290-L294 PolarHBondContact O-N 3.42Å; L291-L294 PolarHBondContact O-N 3.38Å; L291-L294 VanDerWaalsContact O-N 3.16Å; L294-F296 PolarHBondContact O-N 3.29Å; L294-I297 PolarHBondContact O-N 2.73Å; L294-L298 WeakPolarHBondContact O-CG 3.37Å; L294-L298 PolarHBondContact O-N 2.71Å; L294-L340 HydrophobicContact CB-CD1 4.38Å; L294-F892 HydrophobicContact CD1-CE1 4.23Å; L294-F895 HydrophobicContact CD2-CD2 3.97Å; L294-F895 HydrophobicContact CD2-CE2 3.71Å; L294-F895 HydrophobicContact CD2-CZ 4.19Å
295C93Very high90.2Very high0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-59.1-37.6177.2-62.70000111.5L291 F292 L298 A299 F333 V337L291-C295 PolarHBondContact O-N 3.02Å; L291-C295 PolarHBondContact O-SG 3.47Å; F292-C295 PolarHBondContact O-N 3.2Å; C295-L298 PolarHBondContact O-N 2.9Å; C295-A299 VanDerWaalsContact O-CB 3.26Å; C295-A299 WeakPolarHBondContact O-CB 3.49Å; C295-A299 PolarHBondContact O-N 3.41Å; C295-F333 HydrophobicContact CB-CD2 3.86Å; C295-F333 HydrophobicContact CB-CE2 3.64Å; C295-F333 HydrophobicContact CB-CZ 4.35Å; C295-V337 HydrophobicContact CB-CG2 3.98Å
296F93.5Very high90.3Very high113 Ų11344.3 Ų44.350%0.49624%0.24SC..Hα-helixtrans-65.3-43.4176.5-173-105000112.5F292 T293 L294 L298 A299 I300 F333F292-F296 WeakPolarHBondContact O-CB 3.39Å; F292-F296 PolarHBondContact O-N 2.87Å; T293-F296 PolarHBondContact O-N 3.48Å; L294-F296 PolarHBondContact O-N 3.29Å; F296-L298 PolarHBondContact O-N 2.72Å; F296-A299 PolarHBondContact O-N 2.97Å; F296-I300 HydrophobicContact CD1-CD1 3.75Å; F296-I300 HydrophobicContact CE1-CD1 3.34Å; F296-I300 HydrophobicContact CE1-CG1 4.34Å; F296-I300 HydrophobicContact CZ-CD1 3.8Å; F296-I300 HydrophobicContact CZ-CG1 4.45Å; F296-I300 WeakPolarHBondContact O-CG1 3.42Å; F296-I300 PolarHBondContact O-N 2.87Å; F296-F333 HydrophobicContact CB-CE2 4.33Å
297I93.6Very high90.3Very high89 Ų8945.9 Ų45.946%0.45625%0.247SC..Hα-helixtrans-60.6-45.7175.4-68.3164.8000110.7T293 L294 I300 G301T293-I297 WeakPolarHBondContact O-CG1 3.48Å; T293-I297 PolarHBondContact O-N 3.13Å; T293-I297 VanDerWaalsContact O-N 3.08Å; L294-I297 PolarHBondContact O-N 2.73Å; I297-I300 PolarHBondContact O-N 3.24Å; I297-G301 PolarHBondContact O-N 2.79Å
298L93.5Very high90.2Very high0 Ų052.7 Ų52.70%028%0.276CS..Hα-helixtrans-66.8-37.2178.9-63.3179.7000112.3L294 C295 F296 G301 N302 Y336 L340 F895 A898 F903L294-L298 WeakPolarHBondContact O-CG 3.37Å; L294-L298 PolarHBondContact O-N 2.71Å; C295-L298 PolarHBondContact O-N 2.9Å; F296-L298 PolarHBondContact O-N 2.72Å; L298-G301 WeakPolarHBondContact O-CA 3.32Å; L298-G301 PolarHBondContact O-N 2.9Å; L298-N302 PolarHBondContact O-N 3.39Å; L298-Y336 HydrophobicContact CB-CD2 3.73Å; L298-Y336 HydrophobicContact CB-CE2 3.75Å; L298-Y336 HydrophobicContact CB-CG 4.14Å; L298-Y336 HydrophobicContact CD1-CD1 3.49Å; L298-Y336 VanDerWaalsContact CD1-CD1 3.49Å; L298-Y336 HydrophobicContact CD1-CD2 4.22Å; L298-Y336 HydrophobicContact CD1-CE1 3.63Å; L298-Y336 HydrophobicContact CD1-CE2 4.36Å; L298-Y336 HydrophobicContact CD1-CG 3.81Å; L298-L340 HydrophobicContact CD1-CD1 3.93Å; L298-F895 HydrophobicContact CD1-CD2 4.02Å; L298-F895 HydrophobicContact CD2-CD2 3.88Å; L298-F895 HydrophobicContact CD2-CE2 3.78Å; L298-F895 HydrophobicContact CG-CD2 4.09Å; L298-F895 HydrophobicContact CG-CE2 4.12Å; L298-A898 HydrophobicContact CD1-CB 4.19Å; L298-A898 HydrophobicContact CD2-CB 3.6Å; L298-A898 HydrophobicContact CG-CB 4.49Å; L298-F903 HydrophobicContact CD2-CD1 3.96Å; L298-F903 HydrophobicContact CD2-CE1 4Å
299A93.1Very high89.9Confident5 Ų555.3 Ų55.34%0.04129%0.289CS..Hα-helixtrans-64.8-38.7175.300000112.1C295 F296 N302 A303 S329 F333C295-A299 VanDerWaalsContact O-CB 3.26Å; C295-A299 WeakPolarHBondContact O-CB 3.49Å; C295-A299 PolarHBondContact O-N 3.41Å; F296-A299 PolarHBondContact O-N 2.97Å; A299-N302 PolarHBondContact O-N 3.34Å; A299-A303 PolarHBondContact O-N 3.28Å; A299-S329 PolarHBondContact O-OG 3.08Å; A299-F333 HydrophobicContact CB-CB 3.76Å; A299-F333 HydrophobicContact CB-CD2 4.17Å; A299-F333 HydrophobicContact CB-CG 4.48Å
300I92.6Very high89.1Confident81 Ų8153.6 Ų53.642%0.41527%0.272SS..Hα-helixtrans-64.2-43.5171.5-69.4168.9000110.1F296 I297 N302 A303 V304F296-I300 HydrophobicContact CD1-CD1 3.75Å; F296-I300 HydrophobicContact CE1-CD1 3.34Å; F296-I300 HydrophobicContact CE1-CG1 4.34Å; F296-I300 HydrophobicContact CZ-CD1 3.8Å; F296-I300 HydrophobicContact CZ-CG1 4.45Å; F296-I300 WeakPolarHBondContact O-CG1 3.42Å; F296-I300 PolarHBondContact O-N 2.87Å; I297-I300 PolarHBondContact O-N 3.24Å; I300-N302 VanDerWaalsContact C-N 3.3Å; I300-N302 PolarHBondContact O-N 3.29Å; I300-A303 WeakPolarHBondContact O-CB 3.47Å; I300-A303 PolarHBondContact O-N 3.43Å; I300-A303 VanDerWaalsContact O-N 3.13Å; I300-V304 HydrophobicContact CG2-CG2 4.34Å; I300-V304 WeakPolarHBondContact O-CG2 3.45Å; I300-V304 PolarHBondContact O-N 2.89Å
301G91.4Very high88.3Confident13 Ų1353.9 Ų53.913%0.13428%0.281CS..Hα-helixtrans-53.5-47.617400000112I297 L298 A303 V304 W305 F903I297-G301 PolarHBondContact O-N 2.79Å; L298-G301 WeakPolarHBondContact O-CA 3.32Å; L298-G301 PolarHBondContact O-N 2.9Å; G301-A303 PolarHBondContact O-N 3.06Å; G301-V304 PolarHBondContact O-N 2.99Å; G301-W305 WeakPolarHBondContact O-CB 3.39Å; G301-W305 PolarHBondContact O-N 2.86Å; G301-F903 VanDerWaalsContact C-CD2 3.43Å
302N90.8Very high87.6Confident5 Ų558 Ų583%0.02731%0.306CS..Hα-helixtrans-60.6-44.5174.9-171.163.3000112.4L298 A299 I300 V304 W305 E306 S328 S332 F903L298-N302 PolarHBondContact O-N 3.39Å; A299-N302 PolarHBondContact O-N 3.34Å; I300-N302 VanDerWaalsContact C-N 3.3Å; I300-N302 PolarHBondContact O-N 3.29Å; N302-V304 VanDerWaalsContact C-N 3.33Å; N302-V304 PolarHBondContact O-N 3.3Å; N302-W305 PolarHBondContact O-N 3.12Å; N302-E306 VanDerWaalsContact O-CB 3.26Å; N302-E306 WeakPolarHBondContact O-CB 3.5Å; N302-E306 PolarHBondContact O-N 3.16Å; N302-S328 PolarHBondContact ND2-OG 3.21Å; N302-S328 VanDerWaalsContact ND2-OG 3.17Å; N302-S332 PolarHBondContact ND2-OG 3.1Å; N302-F903 HydrophobicContact CB-CB 3.72Å
303A89.7Confident86.7Confident27 Ų2757.1 Ų57.122%0.22330%0.302CS..Hα-helixtrans-60.1-42.8177.500000112.2A299 I300 G301 V307A299-A303 PolarHBondContact O-N 3.28Å; I300-A303 WeakPolarHBondContact O-CB 3.47Å; I300-A303 PolarHBondContact O-N 3.43Å; I300-A303 VanDerWaalsContact O-N 3.13Å; G301-A303 PolarHBondContact O-N 3.06Å; A303-V307 VanDerWaalsContact O-CG2 3.25Å; A303-V307 WeakPolarHBondContact O-CG2 3.43Å; A303-V307 PolarHBondContact O-N 3.45Å
304V89.8Confident85.7Confident69 Ų6956.3 Ų56.342%0.41830%0.298SS..Hα-helixtrans-67.8-42.5178.8173.20000111I300 G301 N302 K308I300-V304 HydrophobicContact CG2-CG2 4.34Å; I300-V304 WeakPolarHBondContact O-CG2 3.45Å; I300-V304 PolarHBondContact O-N 2.89Å; G301-V304 PolarHBondContact O-N 2.99Å; N302-V304 VanDerWaalsContact C-N 3.33Å; N302-V304 PolarHBondContact O-N 3.3Å; V304-K308 HydrophobicContact CG1-CD 4.01Å; V304-K308 WeakPolarHBondContact O-CB 3.33Å; V304-K308 WeakPolarHBondContact O-CG 3.2Å; V304-K308 PolarHBondContact O-N 3.47Å; V304-K308 VanDerWaalsContact O-N 3.11Å
305W88.4Confident84.9Confident80 Ų8061.4 Ų61.430%0.30333%0.329SS..Hα-helixtrans-65.4-45.4178.9-173.787.4000111.8G301 N302 V307 K308 E309 G310 F313 F903G301-W305 WeakPolarHBondContact O-CB 3.39Å; G301-W305 PolarHBondContact O-N 2.86Å; N302-W305 PolarHBondContact O-N 3.12Å; W305-V307 VanDerWaalsContact C-N 3.27Å; W305-V307 PolarHBondContact O-N 3.04Å; W305-K308 PolarHBondContact O-N 2.89Å; W305-E309 PolarHBondContact O-N 2.8Å; W305-G310 PolarHBondContact O-N 3.37Å; W305-G310 VanDerWaalsContact O-N 3.09Å; W305-F313 HydrophobicContact CH2-CD2 4.49Å; W305-F313 HydrophobicContact CZ2-CD2 4.19Å; W305-F313 HydrophobicContact CZ2-CE2 4.48Å; W305-F903 HydrophobicContact CB-CD2 4.18Å
306E84.9Confident84Confident25 Ų2569.4 Ų69.412%0.11736%0.364CS..Hα-helixtrans-61.9-34.1179.9-170.759.6-14400112.8N302 R319 A325N302-E306 VanDerWaalsContact O-CB 3.26Å; N302-E306 WeakPolarHBondContact O-CB 3.5Å; N302-E306 PolarHBondContact O-N 3.16Å; E306-R319 PolarHBondContact O-NH2 2.94Å; E306-R319 VanDerWaalsContact O-NH2 3.09Å; E306-R319 IonicContact OE1-CZ 2.77Å; E306-R319 IonicContact OE1-NE 2.74Å; E306-R319 PolarHBondContact OE1-NE 3.28Å; E306-R319 IonicContact OE1-NH2 2.98Å; E306-R319 PolarHBondContact OE1-NH2 3.12Å; E306-A325 HydrophobicContact CB-CB 4.26Å; E306-A325 HydrophobicContact CG-CB 3.93Å
307V84.8Confident83.2Confident103 Ų10370.6 Ų70.662%0.62438%0.375SS*.Hα-helixtrans-76.9-40.6177.7171.50000112A303 W305 A325A303-V307 VanDerWaalsContact O-CG2 3.25Å; A303-V307 WeakPolarHBondContact O-CG2 3.43Å; A303-V307 PolarHBondContact O-N 3.45Å; W305-V307 VanDerWaalsContact C-N 3.27Å; W305-V307 PolarHBondContact O-N 3.04Å; V307-A325 HydrophobicContact CG2-CB 3.83Å
308K84.8Confident82.2Confident149 Ų14971.5 Ų71.565%0.64839%0.386SS*.Hα-helixtrans-85.4-48.9-173.6-71.4-175.5178-1770113.5V304 W305V304-K308 HydrophobicContact CG1-CD 4.01Å; V304-K308 WeakPolarHBondContact O-CB 3.33Å; V304-K308 WeakPolarHBondContact O-CG 3.2Å; V304-K308 PolarHBondContact O-N 3.47Å; V304-K308 VanDerWaalsContact O-N 3.11Å; W305-K308 PolarHBondContact O-N 2.89Å
309E80.6Confident81.1Confident94 Ų9477.3 Ų77.344%0.43941%0.408SS..THydrogen-bonded Turntrans-114.5-23.5-170-64.6-61.915900112.6W305 S311 V312 F313W305-E309 PolarHBondContact O-N 2.8Å; E309-S311 PolarHBondContact O-N 3.39Å; E309-S311 VanDerWaalsContact O-N 3.1Å; E309-V312 WeakPolarHBondContact O-CB 3.49Å; E309-V312 PolarHBondContact O-N 3.15Å; E309-F313 PolarHBondContact O-N 3.25Å
310G73.3Confident79.9Confident5 Ų583.8 Ų83.85%0.05244%0.438CS..Hα-helixtrans-57.9-28.7-176.700000114.2W305 F313 T314W305-G310 PolarHBondContact O-N 3.37Å; W305-G310 VanDerWaalsContact O-N 3.09Å; G310-F313 PolarHBondContact O-N 3.4Å; G310-T314 WeakPolarHBondContact O-CG2 3.49Å; G310-T314 PolarHBondContact O-N 3.47Å
311S70.3Confident78.5Confident64 Ų6486.4 Ų86.445%0.44846%0.46SS..Hα-helixtrans-66.1-34.8175.255.30000113.1E309 T314E309-S311 PolarHBondContact O-N 3.39Å; E309-S311 VanDerWaalsContact O-N 3.1Å; S311-T314 PolarHBondContact O-OG1 2.68Å
312V76.6Confident77.4Confident93 Ų9388.9 Ų88.956%0.56449%0.485SS*.Hα-helixtrans-71-34.5179.5-176.90000111E309E309-V312 WeakPolarHBondContact O-CB 3.49Å; E309-V312 PolarHBondContact O-N 3.15Å
313F73.2Confident76.5Confident100 Ų10090.5 Ų90.544%0.43950%0.495SS..Hα-helixtrans-83.6-5.3-178.7-82.9-90000114.8W305 E309 G310 V315 F316 L317W305-F313 HydrophobicContact CH2-CD2 4.49Å; W305-F313 HydrophobicContact CZ2-CD2 4.19Å; W305-F313 HydrophobicContact CZ2-CE2 4.48Å; E309-F313 PolarHBondContact O-N 3.25Å; G310-F313 PolarHBondContact O-N 3.4Å; F313-V315 PolarHBondContact O-N 2.76Å; F313-F316 PolarHBondContact O-N 3.36Å; F313-L317 PolarHBondContact O-N 2.52Å
314T70.8Confident76Confident54 Ų5495 Ų9533%0.33152%0.516SS..THydrogen-bonded Turntrans-57.4-23.5179.754.10000114.5G310 S311 R319G310-T314 WeakPolarHBondContact O-CG2 3.49Å; G310-T314 PolarHBondContact O-N 3.47Å; S311-T314 PolarHBondContact O-OG1 2.68Å; T314-R319 HydrophobicContact CG2-CG 4.43Å
315V73.8Confident75.6Confident121 Ų12193.1 Ų93.173%0.73351%0.507SS*.THydrogen-bonded Turntrans-70.4-33.5176178.90000112F313F313-V315 PolarHBondContact O-N 2.76Å
316F74.3Confident75.5Confident168 Ų16893 Ų9374%0.73752%0.523SS*.THydrogen-bonded Turntrans-97.9-27.2-179.9-59-78.5000112.3F313F313-F316 PolarHBondContact O-N 3.36Å
317L76.3Confident75.5Confident138 Ų13895.4 Ų95.472%0.72354%0.536SS*.SBendtrans-137.386.4-177.6-143.6119.2000110F313F313-L317 PolarHBondContact O-N 2.52Å
318P73.6Confident75.5Confident107 Ų10791.6 Ų91.670%0.69551%0.514SS*.PPolyproline II helixtrans-67.2136.7-175.824.5-31.9000111.8
319R69.4Low75.7Confident123 Ų12385.4 Ų85.446%0.46449%0.49SS..PPolyproline II helixtrans-68.8135.6177-71.3-179.4177.6155.91.5111E306 T314E306-R319 PolarHBondContact O-NH2 2.94Å; E306-R319 VanDerWaalsContact O-NH2 3.09Å; E306-R319 IonicContact OE1-CZ 2.77Å; E306-R319 IonicContact OE1-NE 2.74Å; E306-R319 PolarHBondContact OE1-NE 3.28Å; E306-R319 IonicContact OE1-NH2 2.98Å; E306-R319 PolarHBondContact OE1-NH2 3.12Å; T314-R319 HydrophobicContact CG2-CG 4.43Å
320E69.1Low76.2Confident141 Ų14186.5 Ų86.566%0.65949%0.493SS*.PPolyproline II helixtrans-64.5138.4167.7-73-169.3163.600110.8G322 V323E320-G322 PolarHBondContact O-N 3.38Å; E320-V323 HydrophobicContact CB-CG2 3.96Å; E320-V323 PolarHBondContact O-N 2.7Å
321P63.3Low76.9Confident136 Ų13688.1 Ų88.188%0.88350%0.501SS*.THydrogen-bonded Turntrans-63.1121.6-176.723.7-31.7000111.2
322G67.3Low77.8Confident64 Ų6485.7 Ų85.766%0.6648%0.484SS*.THydrogen-bonded Turntrans101.3-5.3-179.800000115.4E320 N324E320-G322 PolarHBondContact O-N 3.38Å; G322-N324 PolarHBondContact O-N 3.32Å
323V72.4Confident78.6Confident40 Ų4082.2 Ų82.224%0.24246%0.461CS..  trans-89.3100.5177.9-174.30000111.2E320 L327E320-V323 HydrophobicContact CB-CG2 3.96Å; E320-V323 PolarHBondContact O-N 2.7Å; V323-L327 HydrophobicContact CG1-CB 4.49Å; V323-L327 HydrophobicContact CG2-CD2 4.39Å
324N80.2Confident79.5Confident122 Ų12280.2 Ų80.265%0.65245%0.451SS*.  trans-84.1162171.9-67.8-23000111.3G322 A326 L327 S328G322-N324 PolarHBondContact O-N 3.32Å; N324-A326 PolarHBondContact O-N 3.44Å; N324-A326 VanDerWaalsContact O-N 3.12Å; N324-L327 WeakPolarHBondContact O-CA 3.5Å; N324-L327 WeakPolarHBondContact O-CB 3.21Å; N324-L327 PolarHBondContact O-N 2.99Å; N324-S328 PolarHBondContact O-N 2.95Å
325A80.9Confident80.5Confident28 Ų2878.4 Ų78.423%0.23144%0.44CS..Hα-helixtrans-53.2-37179.800000113.7E306 V307 S329E306-A325 HydrophobicContact CB-CB 4.26Å; E306-A325 HydrophobicContact CG-CB 3.93Å; V307-A325 HydrophobicContact CG2-CB 3.83Å; A325-S329 WeakPolarHBondContact O-CB 3.23Å; A325-S329 PolarHBondContact O-N 3.01Å
326A85.4Confident81.3Confident78 Ų7872.9 Ų72.965%0.64541%0.406SS*.Hα-helixtrans-66-38.817500000112.9N324 F330N324-A326 PolarHBondContact O-N 3.44Å; N324-A326 VanDerWaalsContact O-N 3.12Å; A326-F330 WeakPolarHBondContact O-CB 3.46Å; A326-F330 PolarHBondContact O-N 3.26Å
327L86.2Confident82.1Confident76 Ų7665.4 Ų65.440%0.39837%0.374SS..Hα-helixtrans-72.4-41.8177.4-171.666.4000110.9V323 N324 S329 F330 L331V323-L327 HydrophobicContact CG1-CB 4.49Å; V323-L327 HydrophobicContact CG2-CD2 4.39Å; N324-L327 WeakPolarHBondContact O-CA 3.5Å; N324-L327 WeakPolarHBondContact O-CB 3.21Å; N324-L327 PolarHBondContact O-N 2.99Å; L327-S329 PolarHBondContact O-N 3.36Å; L327-F330 WeakPolarHBondContact O-CB 3.41Å; L327-F330 PolarHBondContact O-N 3.01Å; L327-L331 HydrophobicContact CG-CD1 4.48Å; L327-L331 WeakPolarHBondContact O-CG 3.48Å; L327-L331 PolarHBondContact O-N 3.38Å
328S85Confident82.8Confident22 Ų2258.9 Ų58.915%0.15434%0.34CS..Hα-helixtrans-58.8-45173.6174.10000111.8N302 N324 F330 L331 S332N302-S328 PolarHBondContact ND2-OG 3.21Å; N302-S328 VanDerWaalsContact ND2-OG 3.17Å; N324-S328 PolarHBondContact O-N 2.95Å; S328-F330 PolarHBondContact O-N 2.88Å; S328-L331 PolarHBondContact O-N 3.34Å; S328-S332 VanDerWaalsContact O-CB 3.27Å; S328-S332 WeakPolarHBondContact O-CB 3.31Å; S328-S332 PolarHBondContact O-N 3.5Å; S328-S332 PolarHBondContact O-OG 3.33Å
329S88.1Confident83.5Confident20 Ų2054.2 Ų54.214%0.1431%0.309CS..Hα-helixtrans-62.8-40.3174.4178.90000112.5A299 A325 L327 S332 F333A299-S329 PolarHBondContact O-OG 3.08Å; A325-S329 WeakPolarHBondContact O-CB 3.23Å; A325-S329 PolarHBondContact O-N 3.01Å; L327-S329 PolarHBondContact O-N 3.36Å; S329-S332 PolarHBondContact O-N 2.91Å; S329-F333 WeakPolarHBondContact O-CB 3.47Å; S329-F333 PolarHBondContact O-N 3.21Å
330F90.7Very high84.4Confident116 Ų11648.4 Ų48.451%0.50929%0.287SS..Hα-helixtrans-63.8-43175179.1-99.2000112.9A326 L327 S328 F333 W334A326-F330 WeakPolarHBondContact O-CB 3.46Å; A326-F330 PolarHBondContact O-N 3.26Å; L327-F330 WeakPolarHBondContact O-CB 3.41Å; L327-F330 PolarHBondContact O-N 3.01Å; S328-F330 PolarHBondContact O-N 2.88Å; F330-F333 WeakPolarHBondContact O-CB 3.4Å; F330-F333 PolarHBondContact O-N 3.4Å; F330-W334 AromaticContact CE1-CD1 3.91Å; F330-W334 AromaticContact CE1-NE1 3.67Å; F330-W334 AromaticContact CE2-NE1 3.45Å; F330-W334 AromaticContact CZ-CD1 3.91Å; F330-W334 AromaticContact CZ-NE1 3.2Å
331L89Confident85.1Confident40 Ų4042.5 Ų42.521%0.20926%0.26CS..Hα-helixtrans-68-40.3175.6-65.1175.6000111.6I79 L327 S328 F333 W334 S335I79-L331 HydrophobicContact CD1-CD2 4.14Å; I79-L331 HydrophobicContact CG1-CD2 3.77Å; L327-L331 HydrophobicContact CG-CD1 4.48Å; L327-L331 WeakPolarHBondContact O-CG 3.48Å; L327-L331 PolarHBondContact O-N 3.38Å; S328-L331 PolarHBondContact O-N 3.34Å; L331-F333 VanDerWaalsContact C-N 3.31Å; L331-F333 PolarHBondContact O-N 3.06Å; L331-W334 PolarHBondContact O-N 3.43Å; L331-S335 PolarHBondContact O-N 3.06Å; L331-S335 PolarHBondContact O-OG 3.12Å
332S88.9Confident85.8Confident13 Ų1336.8 Ų36.89%0.09123%0.225CC..Hα-helixtrans-64.3-36.2176.9-60.70000111.9N302 S328 S329 W334 S335 Y336N302-S332 PolarHBondContact ND2-OG 3.1Å; S328-S332 VanDerWaalsContact O-CB 3.27Å; S328-S332 WeakPolarHBondContact O-CB 3.31Å; S328-S332 PolarHBondContact O-N 3.5Å; S328-S332 PolarHBondContact O-OG 3.33Å; S329-S332 PolarHBondContact O-N 2.91Å; S332-W334 PolarHBondContact O-N 3.5Å; S332-S335 PolarHBondContact O-N 2.91Å; S332-Y336 WeakPolarHBondContact O-CD2 3.05Å; S332-Y336 PolarHBondContact O-N 3.39Å
333F92.9Very high86.4Confident19 Ų1933.7 Ų33.78%0.08319%0.193CC..Hα-helixtrans-54.1-51.8172.8173-94.3000111.3F292 C295 F296 A299 S329 F330 L331 S335 Y336 V337F292-F333 HydrophobicContact CD2-CE2 4.29Å; F292-F333 AromaticContact CD2-CZ 3.59Å; F292-F333 HydrophobicContact CD2-CZ 3.59Å; F292-F333 HydrophobicContact CE2-CE1 4.21Å; F292-F333 HydrophobicContact CE2-CE2 4.14Å; F292-F333 AromaticContact CE2-CZ 3.39Å; F292-F333 HydrophobicContact CE2-CZ 3.39Å; F292-F333 HydrophobicContact CG-CZ 4.39Å; F292-F333 HydrophobicContact CZ-CE2 4.42Å; F292-F333 HydrophobicContact CZ-CZ 4.05Å; C295-F333 HydrophobicContact CB-CD2 3.86Å; C295-F333 HydrophobicContact CB-CE2 3.64Å; C295-F333 HydrophobicContact CB-CZ 4.35Å; F296-F333 HydrophobicContact CB-CE2 4.33Å; A299-F333 HydrophobicContact CB-CB 3.76Å; A299-F333 HydrophobicContact CB-CD2 4.17Å; A299-F333 HydrophobicContact CB-CG 4.48Å; S329-F333 WeakPolarHBondContact O-CB 3.47Å; S329-F333 PolarHBondContact O-N 3.21Å; F330-F333 WeakPolarHBondContact O-CB 3.4Å; F330-F333 PolarHBondContact O-N 3.4Å; L331-F333 VanDerWaalsContact C-N 3.31Å; L331-F333 PolarHBondContact O-N 3.06Å; F333-S335 VanDerWaalsContact C-N 3.35Å; F333-Y336 PolarHBondContact O-N 3.32Å; F333-V337 HydrophobicContact CD1-CG2 4.45Å; F333-V337 HydrophobicContact CE1-CG2 3.98Å; F333-V337 HydrophobicContact CZ-CG2 4.05Å; F333-V337 WeakPolarHBondContact O-CG2 3.14Å; F333-V337 PolarHBondContact O-N 3.01Å
334W92.1Very high86.5Confident59 Ų5932 Ų3222%0.22318%0.183CC..Hα-helixtrans-69.9-32179.3-66110.8000112.8F69 L73 I79 F330 L331 S332 V337 I338F69-W334 HydrophobicContact CE1-CH2 4.43Å; F69-W334 AromaticContact CE1-CZ3 3.88Å; F69-W334 HydrophobicContact CE1-CZ3 3.88Å; F69-W334 HydrophobicContact CZ-CH2 4.12Å; F69-W334 AromaticContact CZ-CZ3 3.95Å; F69-W334 HydrophobicContact CZ-CZ3 3.95Å; L73-W334 HydrophobicContact CD1-CD2 4.49Å; L73-W334 HydrophobicContact CD1-CE3 3.56Å; L73-W334 HydrophobicContact CD1-CZ3 3.84Å; L73-W334 HydrophobicContact CD2-CE3 4.4Å; I79-W334 HydrophobicContact CD1-CB 4.21Å; I79-W334 HydrophobicContact CG1-CB 4.44Å; I79-W334 HydrophobicContact CG2-CB 3.38Å; F330-W334 AromaticContact CE1-CD1 3.91Å; F330-W334 AromaticContact CE1-NE1 3.67Å; F330-W334 AromaticContact CE2-NE1 3.45Å; F330-W334 AromaticContact CZ-CD1 3.91Å; F330-W334 AromaticContact CZ-NE1 3.2Å; L331-W334 PolarHBondContact O-N 3.43Å; S332-W334 PolarHBondContact O-N 3.5Å; W334-V337 HydrophobicContact CE3-CB 4.49Å; W334-V337 HydrophobicContact CE3-CG2 4.41Å; W334-V337 WeakPolarHBondContact O-CB 3.39Å; W334-V337 PolarHBondContact O-N 3.25Å; W334-I338 PolarHBondContact O-N 2.89Å; W334-I338 VanDerWaalsContact O-N 3.14Å
335S91.3Very high86Confident15 Ų1526.5 Ų26.511%0.10515%0.154CC..Hα-helixtrans-63.7-43.5174.3-53.30000110.8I79 L331 S332 F333 V337 I338 V339I79-S335 PolarHBondContact O-OG 3.48Å; I79-S335 VanDerWaalsContact O-OG 3.11Å; L331-S335 PolarHBondContact O-N 3.06Å; L331-S335 PolarHBondContact O-OG 3.12Å; S332-S335 PolarHBondContact O-N 2.91Å; F333-S335 VanDerWaalsContact C-N 3.35Å; S335-V337 VanDerWaalsContact C-N 3.35Å; S335-V337 PolarHBondContact O-N 3.45Å; S335-I338 WeakPolarHBondContact O-CB 3.48Å; S335-I338 PolarHBondContact O-N 3.18Å; S335-I338 VanDerWaalsContact O-N 3.1Å; S335-V339 WeakPolarHBondContact O-CG2 3.4Å; S335-V339 PolarHBondContact O-N 3.11Å
336Y91.8Very high85.8Confident5 Ų526 Ų262%0.0215%0.147CC..Hα-helixtrans-66.7-32.7173.1-80.3-62.8000113.7L298 S332 F333 I338 V339 L340 A898 F903 A905L298-Y336 HydrophobicContact CB-CD2 3.73Å; L298-Y336 HydrophobicContact CB-CE2 3.75Å; L298-Y336 HydrophobicContact CB-CG 4.14Å; L298-Y336 HydrophobicContact CD1-CD1 3.49Å; L298-Y336 VanDerWaalsContact CD1-CD1 3.49Å; L298-Y336 HydrophobicContact CD1-CD2 4.22Å; L298-Y336 HydrophobicContact CD1-CE1 3.63Å; L298-Y336 HydrophobicContact CD1-CE2 4.36Å; L298-Y336 HydrophobicContact CD1-CG 3.81Å; S332-Y336 WeakPolarHBondContact O-CD2 3.05Å; S332-Y336 PolarHBondContact O-N 3.39Å; F333-Y336 PolarHBondContact O-N 3.32Å; Y336-I338 PolarHBondContact O-N 3.34Å; Y336-V339 PolarHBondContact O-N 3.33Å; Y336-L340 VanDerWaalsContact O-CB 3.27Å; Y336-L340 WeakPolarHBondContact O-CB 3.23Å; Y336-L340 WeakPolarHBondContact O-CG 3.13Å; Y336-L340 PolarHBondContact O-N 3.43Å; Y336-A898 HydrophobicContact CE1-CB 4.05Å; Y336-F903 VanDerWaalsContact CE2-O 3.22Å; Y336-F903 WeakPolarHBondContact CE2-O 3.42Å; Y336-F903 WeakPolarHBondContact OH-CA 3.3Å; Y336-F903 PolarHBondContact OH-O 3.44Å; Y336-A905 HydrophobicContact CD1-CB 4.01Å; Y336-A905 HydrophobicContact CD2-CB 4.17Å; Y336-A905 HydrophobicContact CE1-CB 3.8Å; Y336-A905 HydrophobicContact CE2-CB 3.95Å; Y336-A905 HydrophobicContact CG-CB 4.18Å; Y336-A905 PolarHBondContact OH-N 3.42Å
337V91.2Very high85.5Confident11 Ų1123.3 Ų23.37%0.06712%0.123CC..Hα-helixtrans-59.9-35.6172168.90000110.5L70 C295 F333 W334 S335 N341L70-V337 HydrophobicContact CD2-CG1 3.73Å; C295-V337 HydrophobicContact CB-CG2 3.98Å; F333-V337 HydrophobicContact CD1-CG2 4.45Å; F333-V337 HydrophobicContact CE1-CG2 3.98Å; F333-V337 HydrophobicContact CZ-CG2 4.05Å; F333-V337 WeakPolarHBondContact O-CG2 3.14Å; F333-V337 PolarHBondContact O-N 3.01Å; W334-V337 HydrophobicContact CE3-CB 4.49Å; W334-V337 HydrophobicContact CE3-CG2 4.41Å; W334-V337 WeakPolarHBondContact O-CB 3.39Å; W334-V337 PolarHBondContact O-N 3.25Å; S335-V337 VanDerWaalsContact C-N 3.35Å; S335-V337 PolarHBondContact O-N 3.45Å; V337-N341 PolarHBondContact O-N 3.31Å
338I89Confident85.4Confident2 Ų219.9 Ų19.91%0.0111%0.105CC..Hα-helixtrans-71.9-50.2175.1-65.9169.9000111.4L73 Q74 I79 L82 W334 S335 Y336 L340 N341L73-I338 HydrophobicContact CB-CD1 4.41Å; Q74-I338 HydrophobicContact CG-CD1 3.88Å; Q74-I338 HydrophobicContact CG-CG1 4.09Å; Q74-I338 HydrophobicContact CG-CG2 3.87Å; I79-I338 HydrophobicContact CG2-CD1 3.82Å; L82-I338 HydrophobicContact CB-CG2 4Å; L82-I338 HydrophobicContact CD1-CG2 3.96Å; L82-I338 HydrophobicContact CG-CG2 4.17Å; W334-I338 PolarHBondContact O-N 2.89Å; W334-I338 VanDerWaalsContact O-N 3.14Å; S335-I338 WeakPolarHBondContact O-CB 3.48Å; S335-I338 PolarHBondContact O-N 3.18Å; S335-I338 VanDerWaalsContact O-N 3.1Å; Y336-I338 PolarHBondContact O-N 3.34Å; I338-L340 PolarHBondContact O-N 3Å; I338-N341 WeakPolarHBondContact O-CB 3.08Å; I338-N341 PolarHBondContact O-N 3.14Å
339V88.3Confident85.1Confident8 Ų820.6 Ų20.65%0.04811%0.105CC..Hα-helixtrans-61.9-44-178.8176.40000111.9S81 S335 Y336 N341 H894 A905 T907S81-V339 WeakPolarHBondContact OG-CG2 3.47Å; S335-V339 WeakPolarHBondContact O-CG2 3.4Å; S335-V339 PolarHBondContact O-N 3.11Å; Y336-V339 PolarHBondContact O-N 3.33Å; V339-N341 VanDerWaalsContact C-N 3.3Å; V339-N341 PolarHBondContact O-N 3.1Å; V339-H894 HydrophobicContact CG1-CB 4.19Å; V339-H894 VanDerWaalsContact CG1-CD2 3.46Å; V339-H894 WeakPolarHBondContact CG1-CD2 3.22Å; V339-A905 HydrophobicContact CG2-CB 4.47Å; V339-T907 HydrophobicContact CG2-CG2 4.4Å
340L89.3Confident84.7Confident1 Ų120.7 Ų20.71%0.00510%0.104CC..G310 helixtrans-86.72.6-175.6-55.6-179.9000113L291 L294 L298 Y336 I338 A342 V343 T891 H894L291-L340 HydrophobicContact CD1-CB 3.44Å; L291-L340 VanDerWaalsContact CD1-CB 3.44Å; L291-L340 HydrophobicContact CD1-CD1 4.45Å; L294-L340 HydrophobicContact CB-CD1 4.38Å; L298-L340 HydrophobicContact CD1-CD1 3.93Å; Y336-L340 VanDerWaalsContact O-CB 3.27Å; Y336-L340 WeakPolarHBondContact O-CB 3.23Å; Y336-L340 WeakPolarHBondContact O-CG 3.13Å; Y336-L340 PolarHBondContact O-N 3.43Å; I338-L340 PolarHBondContact O-N 3Å; L340-A342 PolarHBondContact O-N 3.15Å; L340-A342 VanDerWaalsContact O-N 3.09Å; L340-V343 WeakPolarHBondContact O-CB 3.43Å; L340-V343 PolarHBondContact O-N 3.47Å; L340-V343 VanDerWaalsContact O-N 3.13Å; L340-T891 HydrophobicContact CB-CG2 3.82Å; L340-T891 HydrophobicContact CD2-CG2 3.44Å; L340-T891 VanDerWaalsContact CD2-CG2 3.44Å; L340-T891 HydrophobicContact CG-CG2 4.18Å; L340-H894 HydrophobicContact CD2-CB 3.73Å
341N84.4Confident84.5Confident17 Ų1715.4 Ų15.49%0.0918%0.082CC..G310 helixtrans-54.6-28.7178.2172.333.5000113.4Y66 L70 V337 I338 V339 V343 V344Y66-N341 VanDerWaalsContact CE1-OD1 3.28Å; Y66-N341 WeakPolarHBondContact CE1-OD1 3.31Å; Y66-N341 PolarHBondContact OH-OD1 3.14Å; L70-N341 HydrophobicContact CD1-CB 3.93Å; L70-N341 VanDerWaalsContact CD1-ND2 3.32Å; L70-N341 WeakPolarHBondContact CD1-ND2 3.07Å; L70-N341 WeakPolarHBondContact CD1-OD1 3.17Å; V337-N341 PolarHBondContact O-N 3.31Å; I338-N341 WeakPolarHBondContact O-CB 3.08Å; I338-N341 PolarHBondContact O-N 3.14Å; V339-N341 VanDerWaalsContact C-N 3.3Å; V339-N341 PolarHBondContact O-N 3.1Å; N341-V343 PolarHBondContact O-N 3.34Å; N341-V344 CarbonylContact O-C 3.59Å; N341-V344 PolarHBondContact O-N 3.03Å
342A77.8Confident84.4Confident16 Ų1613.7 Ų13.713%0.1327%0.073CC..G310 helixtrans-57-14.1178.100000114.4L340 V344 P345 N887 F890L340-A342 PolarHBondContact O-N 3.15Å; L340-A342 VanDerWaalsContact O-N 3.09Å; A342-V344 VanDerWaalsContact C-N 3.34Å; A342-P345 WeakPolarHBondContact O-CD 3.13Å; A342-N887 PolarHBondContact O-OD1 2.9Å; A342-F890 HydrophobicContact CB-CD1 3.68Å; A342-F890 HydrophobicContact CB-CE1 3.44Å; A342-F890 VanDerWaalsContact CB-CE1 3.44Å
343V79.4Confident84.1Confident0 Ų014.8 Ų14.80%08%0.077CC..G310 helixtrans-63.4-32.6169.9158.50000113.5I287 L340 N341 P345 F888 T891I287-V343 HydrophobicContact CG2-CB 4.42Å; I287-V343 HydrophobicContact CG2-CG1 3.03Å; L340-V343 WeakPolarHBondContact O-CB 3.43Å; L340-V343 PolarHBondContact O-N 3.47Å; L340-V343 VanDerWaalsContact O-N 3.13Å; N341-V343 PolarHBondContact O-N 3.34Å; V343-P345 WeakPolarHBondContact O-CD 3.44Å; V343-F888 HydrophobicContact CG1-CE1 4.13Å; V343-F888 HydrophobicContact CG2-CD1 4.38Å; V343-T891 VanDerWaalsContact CG2-CB 3.48Å; V343-T891 HydrophobicContact CG2-CG2 3.34Å
344V74.6Confident83.9Confident4 Ų415.7 Ų15.72%0.0248%0.084CC..SBendtrans-108.783.2168.9-173.60000108.1Y66 F67 V284 I287 F288 N341 A342 I346Y66-V344 HydrophobicContact CE1-CB 4.19Å; F67-V344 WeakPolarHBondContact CE1-O 3.2Å; F67-V344 HydrophobicContact CZ-CG1 4.02Å; F67-V344 WeakPolarHBondContact CZ-O 3.47Å; V284-V344 HydrophobicContact CG1-CG1 4.06Å; I287-V344 HydrophobicContact CB-CG2 4.3Å; I287-V344 HydrophobicContact CG2-CG2 3.46Å; I287-V344 VanDerWaalsContact CG2-CG2 3.46Å; F288-V344 HydrophobicContact CD1-CG2 3.68Å; F288-V344 HydrophobicContact CE1-CB 3.85Å; F288-V344 HydrophobicContact CE1-CG1 3.83Å; F288-V344 HydrophobicContact CE1-CG2 3.45Å; F288-V344 VanDerWaalsContact CE1-CG2 3.45Å; F288-V344 HydrophobicContact CZ-CB 4.46Å; F288-V344 HydrophobicContact CZ-CG1 3.93Å; F288-V344 HydrophobicContact CZ-CG2 4.25Å; N341-V344 CarbonylContact O-C 3.59Å; N341-V344 PolarHBondContact O-N 3.03Å; A342-V344 VanDerWaalsContact C-N 3.34Å; V344-I346 PolarHBondContact O-N 3.5Å
345P70.6Confident83.8Confident6 Ų612.9 Ų12.94%0.0397%0.073CC..  trans-71.1121.2-175.324.1-36.2000112.9A342 V343 S347 L348 F883 N887A342-P345 WeakPolarHBondContact O-CD 3.13Å; V343-P345 WeakPolarHBondContact O-CD 3.44Å; P345-S347 PolarHBondContact O-N 3.46Å; P345-L348 HydrophobicContact CG-CB 4.24Å; P345-L348 VanDerWaalsContact O-CB 3.26Å; P345-L348 WeakPolarHBondContact O-CB 3.35Å; P345-L348 PolarHBondContact O-N 2.87Å; P345-L348 VanDerWaalsContact O-N 3.09Å; P345-F883 HydrophobicContact CB-CE1 3.6Å; P345-F883 HydrophobicContact CB-CZ 4.02Å; P345-F883 HydrophobicContact CG-CD1 3.97Å; P345-F883 HydrophobicContact CG-CE1 3.25Å; P345-F883 HydrophobicContact CG-CZ 4.17Å; P345-N887 HydrophobicContact CG-CB 4.38Å
346I75.7Confident83.8Confident19 Ų1912.3 Ų12.310%0.0977%0.069CC..THydrogen-bonded Turntrans-50.7-41.6171.2-61.1172.9000111.2F67 T87 P90 V94 V344 L348F67-I346 HydrophobicContact CB-CD1 4.32Å; F67-I346 HydrophobicContact CB-CG1 4.49Å; F67-I346 HydrophobicContact CD1-CD1 3.57Å; F67-I346 HydrophobicContact CD1-CG1 3.28Å; F67-I346 HydrophobicContact CD2-CB 4.47Å; F67-I346 HydrophobicContact CD2-CD1 4.31Å; F67-I346 HydrophobicContact CD2-CG1 3.6Å; F67-I346 HydrophobicContact CE1-CB 4.35Å; F67-I346 HydrophobicContact CE1-CD1 3.91Å; F67-I346 HydrophobicContact CE1-CG1 3.15Å; F67-I346 HydrophobicContact CE2-CB 4.1Å; F67-I346 HydrophobicContact CE2-CG1 3.46Å; F67-I346 VanDerWaalsContact CE2-CG1 3.46Å; F67-I346 HydrophobicContact CG-CD1 3.81Å; F67-I346 HydrophobicContact CG-CG1 3.52Å; F67-I346 HydrophobicContact CZ-CB 4.03Å; F67-I346 HydrophobicContact CZ-CD1 4.4Å; F67-I346 HydrophobicContact CZ-CG1 3.23Å; T87-I346 HydrophobicContact CG2-CD1 4.17Å; P90-I346 HydrophobicContact CB-CB 4.35Å; P90-I346 HydrophobicContact CB-CD1 3.97Å; P90-I346 HydrophobicContact CB-CG2 4.05Å; V94-I346 HydrophobicContact CB-CG2 4.49Å; V94-I346 HydrophobicContact CG2-CG2 3.28Å; V344-I346 PolarHBondContact O-N 3.5Å; I346-L348 PolarHBondContact O-N 3.34Å
347S79.8Confident83.6Confident20 Ų2015.3 Ų15.314%0.149%0.085CC..Hα-helixtrans-70.1-10.7-175.656.40000114.1P345 S351 F883 N918P345-S347 PolarHBondContact O-N 3.46Å; S347-S351 VanDerWaalsContact O-CB 3.24Å; S347-S351 WeakPolarHBondContact O-CB 3.48Å; S347-S351 PolarHBondContact O-N 3.42Å; S347-S351 PolarHBondContact O-OG 3.34Å; S347-F883 WeakPolarHBondContact OG-CZ 3.49Å; S347-N918 PolarHBondContact OG-O 3.04Å; S347-N918 VanDerWaalsContact OG-O 3.13Å
348L83Confident83.6Confident4 Ų415.4 Ų15.42%0.0219%0.088CC..Hα-helixtrans-57.4-55.4174.3179.359.5000110.7M280 P345 I346 V350 S351 V352 F879 L880 F883 F884M280-L348 HydrophobicContact CG-CD2 4.31Å; M280-L348 HydrophobicContact SD-CD2 3.84Å; M280-L348 HydrophobicContact SD-CG 4.18Å; P345-L348 HydrophobicContact CG-CB 4.24Å; P345-L348 VanDerWaalsContact O-CB 3.26Å; P345-L348 WeakPolarHBondContact O-CB 3.35Å; P345-L348 PolarHBondContact O-N 2.87Å; P345-L348 VanDerWaalsContact O-N 3.09Å; I346-L348 PolarHBondContact O-N 3.34Å; L348-V350 PolarHBondContact O-N 3Å; L348-S351 PolarHBondContact O-N 2.99Å; L348-V352 HydrophobicContact CD1-CG2 4.29Å; L348-V352 WeakPolarHBondContact O-CG2 3.09Å; L348-V352 PolarHBondContact O-N 3.09Å; L348-F879 HydrophobicContact CD1-CE1 3.85Å; L348-F879 HydrophobicContact CD1-CZ 4.3Å; L348-L880 HydrophobicContact CD1-CD2 3.75Å; L348-F883 HydrophobicContact CB-CD1 4.13Å; L348-F883 HydrophobicContact CB-CE1 3.52Å; L348-F883 HydrophobicContact CB-CZ 4.1Å; L348-F883 HydrophobicContact CD1-CB 4.49Å; L348-F883 HydrophobicContact CD1-CD1 3.51Å; L348-F883 HydrophobicContact CD1-CE1 3.8Å; L348-F883 HydrophobicContact CD1-CG 4.04Å; L348-F883 HydrophobicContact CG-CD1 4.33Å; L348-F883 HydrophobicContact CG-CE1 4.21Å; L348-F884 HydrophobicContact CD2-CE1 4.31Å; L348-F884 HydrophobicContact CD2-CZ 4.02Å
349Y78.8Confident83.7Confident37 Ų3715.4 Ų15.415%0.1459%0.088CC..Hα-helixtrans-65.7-41.2-172.6-69.5-81.1000111.9A63 M280 V352 E353A63-Y349 HydrophobicContact CB-CD2 4.19Å; A63-Y349 HydrophobicContact CB-CE2 3.41Å; A63-Y349 VanDerWaalsContact CB-CE2 3.41Å; M280-Y349 HydrophobicContact CE-CD1 3.75Å; M280-Y349 HydrophobicContact CE-CE1 3.37Å; M280-Y349 HydrophobicContact SD-CD1 4.2Å; M280-Y349 HydrophobicContact SD-CE1 3.83Å; Y349-V352 PolarHBondContact O-N 2.9Å; Y349-E353 WeakPolarHBondContact O-CG 3.34Å; Y349-E353 PolarHBondContact O-N 3.48Å; Y349-E353 VanDerWaalsContact O-N 3.1Å
350V80.4Confident83.8Confident22 Ų2215.3 Ų15.313%0.1339%0.087CC..Hα-helixtrans-62.8-46.2175.7177.80000110.7V94 M97 L348 V352 E353 V354V94-V350 HydrophobicContact CB-CG2 3.71Å; V94-V350 HydrophobicContact CG1-CG2 3.65Å; V94-V350 HydrophobicContact CG2-CG2 3.22Å; M97-V350 HydrophobicContact SD-CG1 3.75Å; L348-V350 PolarHBondContact O-N 3Å; V350-V352 VanDerWaalsContact C-N 3.33Å; V350-V352 PolarHBondContact O-N 3.38Å; V350-E353 PolarHBondContact O-N 3.43Å; V350-V354 HydrophobicContact CG1-CG2 4.34Å; V350-V354 WeakPolarHBondContact O-CG2 3.26Å; V350-V354 PolarHBondContact O-N 3.23Å
351S86.2Confident84Confident5 Ų519.2 Ų19.24%0.03511%0.105CC..Hα-helixtrans-64.3-39.6-177.9-59.10000112S347 L348 E353 V354 I355S347-S351 VanDerWaalsContact O-CB 3.24Å; S347-S351 WeakPolarHBondContact O-CB 3.48Å; S347-S351 PolarHBondContact O-N 3.42Å; S347-S351 PolarHBondContact O-OG 3.34Å; L348-S351 PolarHBondContact O-N 2.99Å; S351-E353 PolarHBondContact O-N 3.47Å; S351-V354 PolarHBondContact O-N 3.11Å; S351-I355 VanDerWaalsContact O-CG1 3.3Å; S351-I355 WeakPolarHBondContact O-CG1 3.48Å; S351-I355 PolarHBondContact O-N 3.36Å
352V87Confident84.5Confident4 Ų421.3 Ų21.32%0.02411%0.113CC..Hα-helixtrans-59.8-45173.4168.70000111.2L348 Y349 V350 I355 R356 M876 F879 L880L348-V352 HydrophobicContact CD1-CG2 4.29Å; L348-V352 WeakPolarHBondContact O-CG2 3.09Å; L348-V352 PolarHBondContact O-N 3.09Å; Y349-V352 PolarHBondContact O-N 2.9Å; V350-V352 VanDerWaalsContact C-N 3.33Å; V350-V352 PolarHBondContact O-N 3.38Å; V352-I355 PolarHBondContact O-N 3.33Å; V352-R356 WeakPolarHBondContact O-CB 3.31Å; V352-R356 WeakPolarHBondContact O-CG 3.29Å; V352-R356 PolarHBondContact O-N 3.34Å; V352-M876 HydrophobicContact CG1-CE 3.88Å; V352-M876 HydrophobicContact CG1-SD 4.13Å; V352-M876 HydrophobicContact CG2-SD 4.06Å; V352-F879 HydrophobicContact CG2-CD1 4.23Å; V352-F879 HydrophobicContact CG2-CE1 3.62Å; V352-L880 HydrophobicContact CG2-CD2 4.16Å
353E83.8Confident85.3Confident37 Ų3720.6 Ų20.617%0.17311%0.107CC..Hα-helixtrans-65-40.4177.4-71.3-68.6156.600112.3K101 Y349 V350 S351 R356 L357K101-E353 IonicContact NZ-OE2 2.79Å; K101-E353 PolarHBondContact NZ-OE2 3.39Å; Y349-E353 WeakPolarHBondContact O-CG 3.34Å; Y349-E353 PolarHBondContact O-N 3.48Å; Y349-E353 VanDerWaalsContact O-N 3.1Å; V350-E353 PolarHBondContact O-N 3.43Å; S351-E353 PolarHBondContact O-N 3.47Å; E353-R356 PolarHBondContact O-N 3.13Å; E353-R356 IonicContact OE1-NH1 2.69Å; E353-L357 VanDerWaalsContact O-CB 3.29Å; E353-L357 WeakPolarHBondContact O-CB 3.33Å; E353-L357 PolarHBondContact O-N 3.23Å
354V87.3Confident85.9Confident37 Ų3723 Ų2322%0.22412%0.12CC..Hα-helixtrans-61.9-44.9175172.50000111.1M97 V350 S351 L357 G358 L927M97-V354 HydrophobicContact CE-CG2 3.46Å; M97-V354 VanDerWaalsContact CE-CG2 3.46Å; M97-V354 HydrophobicContact SD-CG2 4.16Å; V350-V354 HydrophobicContact CG1-CG2 4.34Å; V350-V354 WeakPolarHBondContact O-CG2 3.26Å; V350-V354 PolarHBondContact O-N 3.23Å; S351-V354 PolarHBondContact O-N 3.11Å; V354-L357 PolarHBondContact O-N 3.36Å; V354-G358 PolarHBondContact O-N 3.35Å; V354-L927 HydrophobicContact CB-CD2 4.2Å; V354-L927 HydrophobicContact CG1-CD2 4.11Å
355I91.3Very high86.9Confident0 Ų031.2 Ų31.20%015%0.15CC..Hα-helixtrans-63.1-45.3178-70.5165.6000110.9S351 V352 L357 G358 N359 M876 F879 L927 G930S351-I355 VanDerWaalsContact O-CG1 3.3Å; S351-I355 WeakPolarHBondContact O-CG1 3.48Å; S351-I355 PolarHBondContact O-N 3.36Å; V352-I355 PolarHBondContact O-N 3.33Å; I355-L357 PolarHBondContact O-N 3.21Å; I355-G358 PolarHBondContact O-N 3.12Å; I355-N359 WeakPolarHBondContact O-CB 3.25Å; I355-N359 PolarHBondContact O-N 2.75Å; I355-N359 PolarHBondContact O-ND2 3.2Å; I355-M876 HydrophobicContact CB-CE 4.34Å; I355-M876 HydrophobicContact CG2-CE 3.93Å; I355-F879 HydrophobicContact CD1-CB 4Å; I355-F879 HydrophobicContact CD1-CD1 3.96Å; I355-F879 HydrophobicContact CD1-CD2 3.24Å; I355-F879 HydrophobicContact CD1-CE1 4.38Å; I355-F879 HydrophobicContact CD1-CE2 3.76Å; I355-F879 HydrophobicContact CD1-CG 3.43Å; I355-F879 VanDerWaalsContact CD1-CG 3.43Å; I355-F879 HydrophobicContact CD1-CZ 4.33Å; I355-L927 HydrophobicContact CD1-CD2 4.25Å; I355-L927 HydrophobicContact CG1-CD2 4.03Å; I355-G930 WeakPolarHBondContact CG2-O 3.38Å
356R89.5Confident88Confident3 Ų332 Ų321%0.01115%0.154CC..Hα-helixtrans-57.6-48.1175.4-82.9168.5171.5167.59.8111.6T274 D277 V352 E353 N359 S360 T383 T384 N386 E387 M876T274-R356 PolarHBondContact OG1-NH2 3.49Å; D277-R356 VanDerWaalsContact CG-NH2 3.3Å; D277-R356 IonicContact OD1-CZ 2.7Å; D277-R356 IonicContact OD1-NH1 3.5Å; D277-R356 PolarHBondContact OD1-NH1 3.23Å; D277-R356 VanDerWaalsContact OD1-NH1 3.16Å; D277-R356 IonicContact OD1-NH2 2.62Å; D277-R356 PolarHBondContact OD1-NH2 2.91Å; D277-R356 IonicContact OD2-CZ 3.86Å; D277-R356 IonicContact OD2-NH1 2.8Å; D277-R356 IonicContact OD2-NH2 3.32Å; V352-R356 WeakPolarHBondContact O-CB 3.31Å; V352-R356 WeakPolarHBondContact O-CG 3.29Å; V352-R356 PolarHBondContact O-N 3.34Å; E353-R356 PolarHBondContact O-N 3.13Å; E353-R356 IonicContact OE1-NH1 2.69Å; R356-N359 PolarHBondContact O-N 2.97Å; R356-S360 WeakPolarHBondContact O-CB 3.38Å; R356-S360 PolarHBondContact O-N 2.8Å; R356-T383 WeakPolarHBondContact CB-O 3.49Å; R356-T384 PolarHBondContact NE-O 2.61Å; R356-N386 PolarHBondContact O-ND2 3.05Å; R356-E387 IonicContact CZ-OE1 3.96Å; R356-E387 VanDerWaalsContact CZ-OE1 3.27Å; R356-E387 IonicContact NE-OE1 3.41Å; R356-E387 PolarHBondContact NE-OE1 3.48Å; R356-E387 VanDerWaalsContact NE-OE1 3.08Å; R356-E387 IonicContact NE-OE2 3.5Å; R356-E387 PolarHBondContact NE-OE2 2.97Å; R356-E387 IonicContact NH2-OE1 3.91Å; R356-E387 PolarHBondContact NH2-OE1 3.02Å; R356-M876 HydrophobicContact CG-CE 3.97Å
357L87.6Confident88.9Confident69 Ų6942 Ų4236%0.36119%0.191SC..Hα-helixtrans-63.4-42.9178.1174.4144.1000112.1E353 V354 I355 S360 F361E353-L357 VanDerWaalsContact O-CB 3.29Å; E353-L357 WeakPolarHBondContact O-CB 3.33Å; E353-L357 PolarHBondContact O-N 3.23Å; V354-L357 PolarHBondContact O-N 3.36Å; I355-L357 PolarHBondContact O-N 3.21Å; L357-S360 VanDerWaalsContact O-CB 3.3Å; L357-S360 WeakPolarHBondContact O-CB 3.5Å; L357-S360 PolarHBondContact O-N 3.5Å; L357-F361 HydrophobicContact CD1-CE2 4.41Å; L357-F361 HydrophobicContact CD2-CD2 3.76Å; L357-F361 HydrophobicContact CD2-CE2 3.44Å; L357-F361 VanDerWaalsContact CD2-CE2 3.44Å; L357-F361 HydrophobicContact CG-CD2 4.13Å; L357-F361 HydrophobicContact CG-CE2 3.73Å; L357-F361 VanDerWaalsContact O-CD2 3.27Å; L357-F361 WeakPolarHBondContact O-CD2 3.38Å; L357-F361 PolarHBondContact O-N 3.01Å
358G91.3Very high89.5Confident12 Ų1246.5 Ų46.512%0.12421%0.208CC..Hα-helixtrans-63.1-44.3175.300000113.1V354 I355 S360 F361 F362V354-G358 PolarHBondContact O-N 3.35Å; I355-G358 PolarHBondContact O-N 3.12Å; G358-S360 VanDerWaalsContact C-N 3.29Å; G358-S360 PolarHBondContact O-N 2.62Å; G358-F361 PolarHBondContact O-N 3.15Å; G358-F361 VanDerWaalsContact O-N 3.16Å; G358-F362 WeakPolarHBondContact O-CD2 3.2Å; G358-F362 WeakPolarHBondContact O-CG 3.3Å; G358-F362 PolarHBondContact O-N 2.91Å
359N92.9Very high90Very high3 Ų346.4 Ų46.42%0.01621%0.207CC..Hα-helixtrans-61.9-37.3174.4-73-32000111.9I355 R356 F361 F362 I363 N386 R875I355-N359 WeakPolarHBondContact O-CB 3.25Å; I355-N359 PolarHBondContact O-N 2.75Å; I355-N359 PolarHBondContact O-ND2 3.2Å; R356-N359 PolarHBondContact O-N 2.97Å; N359-F361 VanDerWaalsContact C-N 3.34Å; N359-F361 PolarHBondContact O-N 3.14Å; N359-F362 PolarHBondContact O-N 3.16Å; N359-I363 WeakPolarHBondContact O-CG1 3.46Å; N359-I363 PolarHBondContact O-N 2.81Å; N359-I363 VanDerWaalsContact O-N 3.11Å; N359-N386 HydrophobicContact CB-CB 4.17Å; N359-R875 PolarHBondContact OD1-NH1 2.77Å; N359-R875 VanDerWaalsContact OD1-NH1 3.1Å
360S90.4Very high90.7Very high5 Ų548.6 Ų48.64%0.03522%0.216CC..Hα-helixtrans-60.8-42.3174-162.10000111.9R356 L357 G358 I363 N364 A380 N386R356-S360 WeakPolarHBondContact O-CB 3.38Å; R356-S360 PolarHBondContact O-N 2.8Å; L357-S360 VanDerWaalsContact O-CB 3.3Å; L357-S360 WeakPolarHBondContact O-CB 3.5Å; L357-S360 PolarHBondContact O-N 3.5Å; G358-S360 VanDerWaalsContact C-N 3.29Å; G358-S360 PolarHBondContact O-N 2.62Å; S360-I363 PolarHBondContact O-N 3.43Å; S360-N364 VanDerWaalsContact O-CG 3.24Å; S360-N364 PolarHBondContact O-N 2.98Å; S360-N364 VanDerWaalsContact O-N 3.14Å; S360-N364 PolarHBondContact O-OD1 2.69Å; S360-A380 WeakPolarHBondContact OG-CB 3.44Å; S360-A380 PolarHBondContact OG-O 2.78Å; S360-N386 PolarHBondContact N-ND2 3.39Å
361F92.2Very high91.2Very high84 Ų8448.9 Ų48.937%0.36822%0.215SC..Hα-helixtrans-67.2-38.4175.5-76-55.8000112.7L357 G358 N359 I363 N364 W365L357-F361 HydrophobicContact CD1-CE2 4.41Å; L357-F361 HydrophobicContact CD2-CD2 3.76Å; L357-F361 HydrophobicContact CD2-CE2 3.44Å; L357-F361 VanDerWaalsContact CD2-CE2 3.44Å; L357-F361 HydrophobicContact CG-CD2 4.13Å; L357-F361 HydrophobicContact CG-CE2 3.73Å; L357-F361 VanDerWaalsContact O-CD2 3.27Å; L357-F361 WeakPolarHBondContact O-CD2 3.38Å; L357-F361 PolarHBondContact O-N 3.01Å; G358-F361 PolarHBondContact O-N 3.15Å; G358-F361 VanDerWaalsContact O-N 3.16Å; N359-F361 VanDerWaalsContact C-N 3.34Å; N359-F361 PolarHBondContact O-N 3.14Å; F361-I363 VanDerWaalsContact C-N 3.28Å; F361-I363 PolarHBondContact O-N 2.73Å; F361-N364 PolarHBondContact O-N 3.49Å; F361-N364 VanDerWaalsContact O-N 3.13Å; F361-W365 HydrophobicContact CB-CD2 4.27Å; F361-W365 HydrophobicContact CB-CE3 4.11Å; F361-W365 HydrophobicContact CB-CH2 4Å; F361-W365 HydrophobicContact CB-CZ2 4.15Å; F361-W365 HydrophobicContact CB-CZ3 3.98Å; F361-W365 HydrophobicContact CD1-CZ2 4.07Å; F361-W365 HydrophobicContact CG-CH2 4.26Å; F361-W365 HydrophobicContact CG-CZ2 4.19Å; F361-W365 WeakPolarHBondContact O-CB 3.14Å; F361-W365 VanDerWaalsContact O-CG 3.3Å; F361-W365 PolarHBondContact O-N 2.71Å
362F94.4Very high91.4Very high60 Ų6052.9 Ų52.926%0.26324%0.24SC..Hα-helixtrans-62.5-34.6175.6-67-40000113.1G358 N359 W365 D366 L931 F932G358-F362 WeakPolarHBondContact O-CD2 3.2Å; G358-F362 WeakPolarHBondContact O-CG 3.3Å; G358-F362 PolarHBondContact O-N 2.91Å; N359-F362 PolarHBondContact O-N 3.16Å; F362-W365 HydrophobicContact CD1-CE3 4.4Å; F362-D366 PolarHBondContact O-N 3.44Å; F362-L931 HydrophobicContact CE2-CB 4.41Å; F362-L931 HydrophobicContact CE2-CD2 4.42Å; F362-L931 WeakPolarHBondContact CE2-O 2.91Å; F362-F932 HydrophobicContact CE1-CE1 4.39Å; F362-F932 HydrophobicContact CZ-CD1 4.1Å; F362-F932 AromaticContact CZ-CE1 3.71Å; F362-F932 HydrophobicContact CZ-CE1 3.71Å; F362-F932 HydrophobicContact CZ-CZ 4.41Å
363I94.6Very high91.3Very high2 Ų260 Ų601%0.0127%0.271CS..Hα-helixtrans-65.4-46.9172.1-68.1167.1000110N359 S360 F361 W365 D366 M369 A378 A380 L389 F853 L864 H868N359-I363 WeakPolarHBondContact O-CG1 3.46Å; N359-I363 PolarHBondContact O-N 2.81Å; N359-I363 VanDerWaalsContact O-N 3.11Å; S360-I363 PolarHBondContact O-N 3.43Å; F361-I363 VanDerWaalsContact C-N 3.28Å; F361-I363 PolarHBondContact O-N 2.73Å; I363-W365 VanDerWaalsContact C-N 3.32Å; I363-W365 PolarHBondContact O-N 2.95Å; I363-D366 PolarHBondContact O-N 2.96Å; I363-M369 HydrophobicContact CB-CE 4.5Å; I363-M369 HydrophobicContact CG2-CE 3.96Å; I363-A378 HydrophobicContact CG2-CB 4.41Å; I363-A380 HydrophobicContact CB-CB 4.41Å; I363-A380 HydrophobicContact CD1-CB 4.5Å; I363-A380 HydrophobicContact CG2-CB 4.23Å; I363-L389 HydrophobicContact CD1-CD1 4.33Å; I363-F853 HydrophobicContact CD1-CD1 4.43Å; I363-F853 HydrophobicContact CD1-CE1 3.84Å; I363-L864 HydrophobicContact CD1-CD1 4.02Å; I363-L864 HydrophobicContact CG1-CD1 4.33Å; I363-L864 HydrophobicContact CG2-CD1 4.16Å; I363-H868 HydrophobicContact CD1-CB 4.37Å; I363-H868 HydrophobicContact CG1-CB 3.98Å
364N93.1Very high91.2Very high50 Ų5062.8 Ų62.827%0.26729%0.287SS..Hα-helixtrans-64.9-33.4-178.6-64.9-4.8000113.3S360 F361 A378 Q379 A380S360-N364 VanDerWaalsContact O-CG 3.24Å; S360-N364 PolarHBondContact O-N 2.98Å; S360-N364 VanDerWaalsContact O-N 3.14Å; S360-N364 PolarHBondContact O-OD1 2.69Å; F361-N364 PolarHBondContact O-N 3.49Å; F361-N364 VanDerWaalsContact O-N 3.13Å; N364-A378 WeakPolarHBondContact CA-O 3.35Å; N364-Q379 VanDerWaalsContact OD1-CA 3.31Å; N364-Q379 WeakPolarHBondContact OD1-CA 3.48Å; N364-A380 PolarHBondContact OD1-N 2.74Å
365W94.7Very high91.2Very high177 Ų17766.5 Ų66.567%0.6731%0.306SS*.THydrogen-bonded Turntrans-88.8-1-177.9-64.5-24.5000114.2F361 F362 I363 R367F361-W365 HydrophobicContact CB-CD2 4.27Å; F361-W365 HydrophobicContact CB-CE3 4.11Å; F361-W365 HydrophobicContact CB-CH2 4Å; F361-W365 HydrophobicContact CB-CZ2 4.15Å; F361-W365 HydrophobicContact CB-CZ3 3.98Å; F361-W365 HydrophobicContact CD1-CZ2 4.07Å; F361-W365 HydrophobicContact CG-CH2 4.26Å; F361-W365 HydrophobicContact CG-CZ2 4.19Å; F361-W365 WeakPolarHBondContact O-CB 3.14Å; F361-W365 VanDerWaalsContact O-CG 3.3Å; F361-W365 PolarHBondContact O-N 2.71Å; F362-W365 HydrophobicContact CD1-CE3 4.4Å; I363-W365 VanDerWaalsContact C-N 3.32Å; I363-W365 PolarHBondContact O-N 2.95Å; W365-R367 PolarHBondContact O-N 3.41Å; W365-R367 VanDerWaalsContact O-N 3.08Å
366D95.3Very high91Very high23 Ų2367.8 Ų67.812%0.12331%0.314CS..  trans-74.7103.4-177.9-165.9-15000112.1F362 I363 K368 M369 R863 H868F362-D366 PolarHBondContact O-N 3.44Å; I363-D366 PolarHBondContact O-N 2.96Å; D366-K368 PolarHBondContact O-N 3.14Å; D366-K368 VanDerWaalsContact O-N 3.14Å; D366-K368 WeakPolarHBondContact OD1-CB 2.82Å; D366-K368 PolarHBondContact OD1-N 3.35Å; D366-M369 HydrophobicContact CB-CE 3.72Å; D366-M369 HydrophobicContact CB-CG 4.47Å; D366-M369 PolarHBondContact O-N 3.35Å; D366-R863 IonicContact OD1-CZ 3.58Å; D366-R863 IonicContact OD1-NE 2.72Å; D366-R863 IonicContact OD1-NH2 2.7Å; D366-R863 PolarHBondContact OD1-NH2 2.7Å; D366-R863 IonicContact OD2-CZ 3.5Å; D366-R863 VanDerWaalsContact OD2-CZ 3.27Å; D366-R863 IonicContact OD2-NE 3.64Å; D366-R863 PolarHBondContact OD2-NE 2.53Å; D366-R863 IonicContact OD2-NH2 2.68Å; D366-R863 PolarHBondContact OD2-NH2 3.18Å; D366-H868 IonicContact OD2-CD2 2.69Å; D366-H868 IonicContact OD2-CE1 2.72Å; D366-H868 IonicContact OD2-NE2 3.87Å; D366-H868 PolarHBondContact OD2-NE2 2.97Å
367R94.1Very high91.1Very high228 Ų22869.8 Ų69.886%0.8633%0.327SS*.G310 helixtrans-58.9-24.6177-65.5-174.6178.3-174-1.2113.7W365 M369 Y370W365-R367 PolarHBondContact O-N 3.41Å; W365-R367 VanDerWaalsContact O-N 3.08Å; R367-M369 PolarHBondContact O-N 3.08Å; R367-Y370 PolarHBondContact O-N 2.81Å
368K92.5Very high91.3Very high115 Ų11566.8 Ų66.850%0.531%0.312SS..G310 helixtrans-77.1-11.1177.2-64.8-177.8-173.3176.80112.7D366 Y860 D938D366-K368 PolarHBondContact O-N 3.14Å; D366-K368 VanDerWaalsContact O-N 3.14Å; D366-K368 WeakPolarHBondContact OD1-CB 2.82Å; D366-K368 PolarHBondContact OD1-N 3.35Å; K368-Y860 WeakPolarHBondContact O-CE1 3.4Å; K368-D938 IonicContact NZ-OD2 3.18Å; K368-D938 PolarHBondContact NZ-OD2 3.08Å
369M93.4Very high91.2Very high1 Ų170 Ų701%0.00532%0.324CS..G310 helixtrans-109.716.6172.3-57.8-168.2-6400112.3I363 D366 R367 A378 Y860 R863 L864 H868I363-M369 HydrophobicContact CB-CE 4.5Å; I363-M369 HydrophobicContact CG2-CE 3.96Å; D366-M369 HydrophobicContact CB-CE 3.72Å; D366-M369 HydrophobicContact CB-CG 4.47Å; D366-M369 PolarHBondContact O-N 3.35Å; R367-M369 PolarHBondContact O-N 3.08Å; M369-A378 HydrophobicContact CB-CB 3.8Å; M369-A378 HydrophobicContact CE-CB 4.19Å; M369-A378 PolarHBondContact O-N 2.94Å; M369-Y860 HydrophobicContact CB-CD1 4.31Å; M369-Y860 HydrophobicContact CB-CG 4.22Å; M369-Y860 HydrophobicContact CG-CD1 4.3Å; M369-Y860 HydrophobicContact CG-CG 4.38Å; M369-R863 HydrophobicContact CG-CB 4.33Å; M369-R863 HydrophobicContact CG-CG 4.17Å; M369-R863 HydrophobicContact SD-CB 4.11Å; M369-R863 HydrophobicContact SD-CG 4.06Å; M369-L864 HydrophobicContact SD-CB 4.42Å; M369-H868 VanDerWaalsContact CE-CD2 3.43Å; M369-H868 WeakPolarHBondContact CE-CD2 3.21Å; M369-H868 WeakPolarHBondContact CE-NE2 3.27Å
370Y93.4Very high91.1Very high84 Ų8470.4 Ų70.433%0.32933%0.327SS..  trans-93134.4172171.2-103.6000110.2R367 P372 D375 P377 Y860R367-Y370 PolarHBondContact O-N 2.81Å; Y370-P372 HydrophobicContact CD1-CG 4.15Å; Y370-P372 HydrophobicContact CE1-CB 4.18Å; Y370-P372 HydrophobicContact CE1-CG 4.05Å; Y370-P372 WeakPolarHBondContact O-CD 3.4Å; Y370-D375 VanDerWaalsContact CE2-OD1 3.26Å; Y370-D375 WeakPolarHBondContact CE2-OD1 3.31Å; Y370-D375 VanDerWaalsContact CZ-OD1 3.28Å; Y370-D375 PolarHBondContact OH-OD1 3.31Å; Y370-P377 HydrophobicContact CD2-CB 4.11Å; Y370-Y860 PolarHBondContact O-OH 3.23Å
371Y91.4Very high90.7Very high27 Ų2774.7 Ų74.711%0.10634%0.343CS..BIsolated β-bridgetrans-104.6108.8178.1-173.4-122.9000111.6K373 N374 D375 T376 A856 Q857Y371-K373 HydrophobicContact CD1-CB 4.36Å; Y371-K373 HydrophobicContact CE1-CB 3.7Å; Y371-K373 HydrophobicContact CE1-CG 4.41Å; Y371-K373 HydrophobicContact CE2-CB 4.39Å; Y371-K373 HydrophobicContact CE2-CG 4.26Å; Y371-K373 PolarHBondContact O-N 2.79Å; Y371-K373 WeakPolarHBondContact OH-CD 3.42Å; Y371-N374 HydrophobicContact CD1-CB 3.93Å; Y371-N374 HydrophobicContact CE1-CB 4.15Å; Y371-D375 PolarHBondContact O-N 3.1Å; Y371-T376 PolarHBondContact N-O 2.84Å; Y371-T376 PolarHBondContact O-N 2.8Å; Y371-T376 VanDerWaalsContact O-N 3.15Å; Y371-A856 VanDerWaalsContact CB-CB 3.46Å; Y371-A856 HydrophobicContact CD1-CB 3.54Å; Y371-A856 HydrophobicContact CE1-CB 4.42Å; Y371-A856 HydrophobicContact CG-CB 3.67Å; Y371-Q857 HydrophobicContact CD2-CG 4.13Å; Y371-Q857 VanDerWaalsContact CE2-CD 3.42Å; Y371-Q857 HydrophobicContact CE2-CG 4.01Å; Y371-Q857 VanDerWaalsContact CE2-NE2 3.28Å
372P88.9Confident90.1Very high89 Ų8972.5 Ų72.558%0.57834%0.337SS*.G310 helixtrans-66.6-32.2-173.3-2434.6000114.9Y370 N374 D375Y370-P372 HydrophobicContact CD1-CG 4.15Å; Y370-P372 HydrophobicContact CE1-CB 4.18Å; Y370-P372 HydrophobicContact CE1-CG 4.05Å; Y370-P372 WeakPolarHBondContact O-CD 3.4Å; P372-N374 VanDerWaalsContact C-N 3.32Å; P372-N374 PolarHBondContact O-N 2.89Å; P372-D375 PolarHBondContact O-N 3.3Å
373K85.1Confident89.4Confident153 Ų15371.1 Ų71.167%0.66533%0.333SS*.G310 helixtrans-65.8-34.7-173-60.1-167.2-169.9165.40112.9Y371Y371-K373 HydrophobicContact CD1-CB 4.36Å; Y371-K373 HydrophobicContact CE1-CB 3.7Å; Y371-K373 HydrophobicContact CE1-CG 4.41Å; Y371-K373 HydrophobicContact CE2-CB 4.39Å; Y371-K373 HydrophobicContact CE2-CG 4.26Å; Y371-K373 PolarHBondContact O-N 2.79Å; Y371-K373 WeakPolarHBondContact OH-CD 3.42Å
374N82.3Confident88.8Confident97 Ų9771.2 Ų71.252%0.51933%0.334SS..G310 helixtrans-114.113.5-178.4-60.13.1000112.3Y371 P372 T376Y371-N374 HydrophobicContact CD1-CB 3.93Å; Y371-N374 HydrophobicContact CE1-CB 4.15Å; P372-N374 VanDerWaalsContact C-N 3.32Å; P372-N374 PolarHBondContact O-N 2.89Å; N374-T376 WeakPolarHBondContact CB-OG1 3.41Å; N374-T376 PolarHBondContact O-N 3.19Å; N374-T376 VanDerWaalsContact O-N 3.12Å; N374-T376 PolarHBondContact O-OG1 3.12Å
375D87.3Confident88.5Confident114 Ų11468.9 Ų68.961%0.6132%0.321SS*.THydrogen-bonded Turntrans45.344.5-174.7-169.629000113.6Y370 Y371 P372 P377Y370-D375 VanDerWaalsContact CE2-OD1 3.26Å; Y370-D375 WeakPolarHBondContact CE2-OD1 3.31Å; Y370-D375 VanDerWaalsContact CZ-OD1 3.28Å; Y370-D375 PolarHBondContact OH-OD1 3.31Å; Y371-D375 PolarHBondContact O-N 3.1Å; P372-D375 PolarHBondContact O-N 3.3Å; D375-P377 WeakPolarHBondContact O-CD 3.49Å
376T85.8Confident88.4Confident27 Ų2760.4 Ų60.417%0.16629%0.289CS..BIsolated β-bridgetrans-113108.9-170.9-54.10000110.5Y371 N374 A856Y371-T376 PolarHBondContact N-O 2.84Å; Y371-T376 PolarHBondContact O-N 2.8Å; Y371-T376 VanDerWaalsContact O-N 3.15Å; N374-T376 WeakPolarHBondContact CB-OG1 3.41Å; N374-T376 PolarHBondContact O-N 3.19Å; N374-T376 VanDerWaalsContact O-N 3.12Å; N374-T376 PolarHBondContact O-OG1 3.12Å; T376-A856 HydrophobicContact CG2-CB 4.11Å
377P91.8Very high88.2Confident46 Ų4659.4 Ų59.430%0.29928%0.284SS..  trans-79.4160.4171.932.5-34.1000111.6Y370 D375 Q379Y370-P377 HydrophobicContact CD2-CB 4.11Å; D375-P377 WeakPolarHBondContact O-CD 3.49Å; P377-Q379 HydrophobicContact CG-CG 4.49Å
378A92.8Very high88.1Confident5 Ų548.6 Ų48.64%0.04124%0.243CC..  trans-64.4139.416300000110.1I363 N364 M369 S854 F855I363-A378 HydrophobicContact CG2-CB 4.41Å; N364-A378 WeakPolarHBondContact CA-O 3.35Å; M369-A378 HydrophobicContact CB-CB 3.8Å; M369-A378 HydrophobicContact CE-CB 4.19Å; M369-A378 PolarHBondContact O-N 2.94Å; A378-S854 CarbonylContact C-O 3.52Å; A378-S854 WeakPolarHBondContact CA-O 3.28Å; A378-F855 HydrophobicContact CB-CB 4.14Å
379Q89.7Confident88.2Confident81 Ų8143.1 Ų43.138%0.37922%0.219SC..EExtended strand (participates in β ladder)trans-132.1120.9178.4-65-178.52.500110.2N364 P377 F853 S854N364-Q379 VanDerWaalsContact OD1-CA 3.31Å; N364-Q379 WeakPolarHBondContact OD1-CA 3.48Å; P377-Q379 HydrophobicContact CG-CG 4.49Å; Q379-F853 CarbonylContact O-C 3.26Å; Q379-F853 WeakPolarHBondContact O-CA 3.33Å; Q379-S854 PolarHBondContact N-O 3Å; Q379-S854 PolarHBondContact O-N 3.07Å
380A89.1Confident88.2Confident10 Ų1043.1 Ų43.18%0.08322%0.219CC..EExtended strand (participates in β ladder)trans-86.7101.7165.400000108.7S360 I363 N364 F853S360-A380 WeakPolarHBondContact OG-CB 3.44Å; S360-A380 PolarHBondContact OG-O 2.78Å; I363-A380 HydrophobicContact CB-CB 4.41Å; I363-A380 HydrophobicContact CD1-CB 4.5Å; I363-A380 HydrophobicContact CG2-CB 4.23Å; N364-A380 PolarHBondContact OD1-N 2.74Å; A380-F853 HydrophobicContact CB-CD1 3.69Å; A380-F853 HydrophobicContact CB-CE1 3.6Å
381R83.1Confident88.2Confident96 Ų9639.4 Ų39.436%0.36221%0.205SC..  trans-81.9-40-179.3-67.5177.1167.7-109.2-6.9111.1V848 S851 D852R381-V848 WeakPolarHBondContact CD-O 3.47Å; R381-V848 PolarHBondContact NE-O 3.3Å; R381-S851 WeakPolarHBondContact CD-O 3.29Å; R381-D852 WeakPolarHBondContact CA-O 3.38Å; R381-D852 WeakPolarHBondContact CB-O 3.33Å; R381-D852 PolarHBondContact N-O 2.97Å
382T80.1Confident88.4Confident38 Ų3838.1 Ų38.123%0.23320%0.2CC..  trans-97.9104.9175.1-56.70000109.7T384 L385 D852T382-T384 VanDerWaalsContact C-N 3.26Å; T382-T384 PolarHBondContact O-N 3.27Å; T382-L385 HydrophobicContact CG2-CD1 3.74Å; T382-L385 HydrophobicContact CG2-CG 3.76Å; T382-D852 WeakPolarHBondContact CB-OD1 3.01Å; T382-D852 PolarHBondContact N-O 3.45Å; T382-D852 PolarHBondContact OG1-OD1 3.33Å
383T79.7Confident88.6Confident30 Ų3036.2 Ų36.218%0.18418%0.182CC..G310 helixtrans-67.7-20.4-176.251.70000114.5K101 R356 N386K101-T383 WeakPolarHBondContact CE-OG1 3.36Å; K101-T383 PolarHBondContact NZ-OG1 2.86Å; R356-T383 WeakPolarHBondContact CB-O 3.49Å; T383-N386 PolarHBondContact O-ND2 3.08Å; T383-N386 VanDerWaalsContact O-ND2 3.16Å
384T80.9Confident89.1Confident5 Ų529 Ų293%0.03115%0.151CC..G310 helixtrans-86.9-9.6-168.954.50000115.4T274 R356 T382T274-T384 WeakPolarHBondContact CG2-O 3.41Å; R356-T384 PolarHBondContact NE-O 2.61Å; T382-T384 VanDerWaalsContact C-N 3.26Å; T382-T384 PolarHBondContact O-N 3.27Å
385L88.1Confident89.8Confident0 Ų024.3 Ų24.30%013%0.126CC..G310 helixtrans-1035.6-168.3-59.8177.2000114.1K272 T274 T382 E387 E388 D852 F853K272-L385 HydrophobicContact CB-CD1 4.19Å; K272-L385 HydrophobicContact CB-CD2 4.07Å; K272-L385 HydrophobicContact CD-CD1 4.05Å; T274-L385 HydrophobicContact CG2-CD2 3.77Å; T382-L385 HydrophobicContact CG2-CD1 3.74Å; T382-L385 HydrophobicContact CG2-CG 3.76Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-E387 PolarHBondContact O-N 3.38Å; L385-E388 PolarHBondContact O-N 3.36Å; L385-E388 VanDerWaalsContact O-N 3.14Å; L385-D852 HydrophobicContact CD1-CB 3.89Å; L385-D852 VanDerWaalsContact CD1-CG 3.4Å; L385-D852 WeakPolarHBondContact CD1-OD1 3.12Å; L385-F853 HydrophobicContact CB-CE2 4.26Å; L385-F853 HydrophobicContact CB-CZ 4.47Å
386N91.3Very high90.2Very high0 Ų018.9 Ų18.90%010%0.097CC..THydrogen-bonded Turntrans-59.7-39.9-170.6-69.4-33.2000113.3R356 N359 S360 T383 L389 F853 S872R356-N386 PolarHBondContact O-ND2 3.05Å; N359-N386 HydrophobicContact CB-CB 4.17Å; S360-N386 PolarHBondContact N-ND2 3.39Å; T383-N386 PolarHBondContact O-ND2 3.08Å; T383-N386 VanDerWaalsContact O-ND2 3.16Å; N386-L389 WeakPolarHBondContact O-CB 3.44Å; N386-L389 PolarHBondContact O-N 3.07Å; N386-F853 VanDerWaalsContact OD1-CE1 3.3Å; N386-F853 WeakPolarHBondContact OD1-CE1 3.44Å; N386-F853 WeakPolarHBondContact OD1-CZ 3.37Å; N386-S872 VanDerWaalsContact O-CB 3.31Å; N386-S872 WeakPolarHBondContact O-CB 3.21Å
387E91.3Very high90.7Very high1 Ų117.6 Ų17.61%0.0059%0.089CC..THydrogen-bonded Turntrans-74.2-23.5179.367.2-83.7-165.700114.1T274 I276 R356 L385 L389 G390 Y873 M876T274-E387 WeakPolarHBondContact CG2-OE1 3.45Å; T274-E387 PolarHBondContact OG1-OE1 2.97Å; I276-E387 HydrophobicContact CD1-CB 4.28Å; I276-E387 HydrophobicContact CD1-CG 3.69Å; R356-E387 IonicContact CZ-OE1 3.96Å; R356-E387 VanDerWaalsContact CZ-OE1 3.27Å; R356-E387 IonicContact NE-OE1 3.41Å; R356-E387 PolarHBondContact NE-OE1 3.48Å; R356-E387 VanDerWaalsContact NE-OE1 3.08Å; R356-E387 IonicContact NE-OE2 3.5Å; R356-E387 PolarHBondContact NE-OE2 2.97Å; R356-E387 IonicContact NH2-OE1 3.91Å; R356-E387 PolarHBondContact NH2-OE1 3.02Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-E387 PolarHBondContact O-N 3.38Å; E387-L389 VanDerWaalsContact C-N 3.27Å; E387-L389 PolarHBondContact O-N 3.42Å; E387-G390 PolarHBondContact O-N 2.67Å; E387-Y873 WeakPolarHBondContact O-CB 3.27Å; E387-M876 HydrophobicContact CB-CB 4.07Å; E387-M876 HydrophobicContact CB-CG 4.33Å; E387-M876 HydrophobicContact CG-CG 4.3Å
388E92.4Very high90.7Very high2 Ų215.8 Ų15.81%0.0098%0.077CC..G310 helixtrans-72.7-22.9176.3-73.5-161143.900112.4T274 S275 L385 G390 Q391 I816 I835T274-E388 WeakPolarHBondContact CA-OE1 3.2Å; T274-E388 HydrophobicContact CG2-CG 3.67Å; S275-E388 PolarHBondContact N-OE1 3.19Å; L385-E388 PolarHBondContact O-N 3.36Å; L385-E388 VanDerWaalsContact O-N 3.14Å; E388-G390 PolarHBondContact O-N 2.73Å; E388-G390 VanDerWaalsContact O-N 3.07Å; E388-Q391 PolarHBondContact O-N 2.73Å; E388-I816 HydrophobicContact CB-CG2 4.46Å; E388-I835 HydrophobicContact CB-CD1 3.71Å; E388-I835 HydrophobicContact CB-CG1 4.39Å
389L94.9Very high90.5Very high0 Ų015.7 Ų15.70%08%0.076CC..G310 helixtrans-59.3-17.8172.3-68.3171.2000112.6I363 N386 E387 I392 L818 I835 F853 L864 L865 G869 Y948I363-L389 HydrophobicContact CD1-CD1 4.33Å; N386-L389 WeakPolarHBondContact O-CB 3.44Å; N386-L389 PolarHBondContact O-N 3.07Å; E387-L389 VanDerWaalsContact C-N 3.27Å; E387-L389 PolarHBondContact O-N 3.42Å; L389-I392 HydrophobicContact CD2-CD1 4.16Å; L389-L818 HydrophobicContact CD2-CD1 4.47Å; L389-I835 HydrophobicContact CD2-CD1 3.77Å; L389-I835 HydrophobicContact CD2-CG2 4Å; L389-I835 HydrophobicContact CG-CD1 4.07Å; L389-F853 HydrophobicContact CD1-CE1 3.86Å; L389-F853 HydrophobicContact CD1-CE2 3.92Å; L389-F853 HydrophobicContact CD1-CZ 3.53Å; L389-F853 HydrophobicContact CD2-CD2 4.17Å; L389-F853 HydrophobicContact CD2-CE2 3.88Å; L389-F853 HydrophobicContact CD2-CZ 4.37Å; L389-F853 HydrophobicContact CG-CE2 4Å; L389-F853 HydrophobicContact CG-CZ 4.04Å; L389-L864 HydrophobicContact CD1-CD1 3.73Å; L389-L864 HydrophobicContact CD1-CG 4.01Å; L389-L864 HydrophobicContact CD2-CD2 4.16Å; L389-L864 HydrophobicContact CD2-CG 4.22Å; L389-L865 HydrophobicContact CB-CD2 4.22Å; L389-L865 HydrophobicContact CD2-CD2 3.7Å; L389-G869 VanDerWaalsContact CB-CA 3.4Å; L389-Y948 WeakPolarHBondContact O-CE2 3.48Å; L389-Y948 PolarHBondContact O-OH 2.56Å
390G93.3Very high90.1Very high1 Ų112.8 Ų12.81%0.016%0.064CC..G310 helixtrans-88.50.6174.900000115E387 E388 G869 Y948 G951E387-G390 PolarHBondContact O-N 2.67Å; E388-G390 PolarHBondContact O-N 2.73Å; E388-G390 VanDerWaalsContact O-N 3.07Å; G390-G869 VanDerWaalsContact CA-C 3.49Å; G390-G869 WeakPolarHBondContact CA-O 3.41Å; G390-G869 PolarHBondContact N-O 3.23Å; G390-Y948 VanDerWaalsContact C-CZ 3.49Å; G390-Y948 VanDerWaalsContact C-OH 3.27Å; G390-G951 WeakPolarHBondContact O-CA 3.37Å
391Q93.6Very high89.7Confident6 Ų612.6 Ų12.63%0.0286%0.063CC..SBendtrans-124.84.9-170.9-57.1175.6-71.100113.7S275 E388 K393 I816 Y873 Y948 N954S275-Q391 PolarHBondContact OG-OE1 2.86Å; E388-Q391 PolarHBondContact O-N 2.73Å; Q391-K393 PolarHBondContact O-N 3.16Å; Q391-I816 HydrophobicContact CB-CB 4.43Å; Q391-I816 HydrophobicContact CB-CG1 3.96Å; Q391-Y873 HydrophobicContact CG-CD2 3.63Å; Q391-Y873 HydrophobicContact CG-CE2 3.66Å; Q391-Y873 HydrophobicContact CG-CG 4.27Å; Q391-Y873 VanDerWaalsContact NE2-CE2 3.34Å; Q391-Y948 PolarHBondContact N-OH 3.37Å; Q391-N954 PolarHBondContact NE2-OD1 2.94Å
392I95.1Very high89.9Confident0 Ų08 Ų80%05%0.045CC..EExtended strand (participates in β ladder)trans-68.5132.3-173.6-66.8152.6000110.6L389 I395 I674 I816 L818 I835 L865 Y948 Q952L389-I392 HydrophobicContact CD2-CD1 4.16Å; I392-I395 HydrophobicContact CG2-CG1 4.01Å; I392-I674 HydrophobicContact CG2-CG2 4.5Å; I392-I816 HydrophobicContact CG1-CG2 3.98Å; I392-L818 HydrophobicContact CD1-CB 3.97Å; I392-L818 HydrophobicContact CD1-CD1 3.47Å; I392-L818 VanDerWaalsContact CD1-CD1 3.47Å; I392-L818 HydrophobicContact CD1-CG 4.36Å; I392-L818 HydrophobicContact CG1-CB 4.18Å; I392-L818 HydrophobicContact CG2-CB 3.87Å; I392-I835 HydrophobicContact CD1-CD1 4.04Å; I392-I835 HydrophobicContact CG1-CD1 4.25Å; I392-L865 HydrophobicContact CD1-CD1 4.12Å; I392-L865 HydrophobicContact CD1-CD2 3.38Å; I392-L865 HydrophobicContact CD1-CG 4.38Å; I392-Y948 WeakPolarHBondContact CB-OH 3.4Å; I392-Y948 PolarHBondContact N-OH 3.08Å; I392-Y948 WeakPolarHBondContact O-CE1 3.46Å; I392-Q952 PolarHBondContact O-NE2 3.44Å
393K93.1Very high90.4Very high48 Ų486.3 Ų6.321%0.2094%0.035CC..EExtended strand (participates in β ladder)trans-113.1-29.4174.9-171.9169.5176.7176.50113Q391 K675 D754 A815 I816Q391-K393 PolarHBondContact O-N 3.16Å; K393-K675 PolarHBondContact O-N 3.17Å; K393-D754 IonicContact NZ-OD2 3.37Å; K393-D754 PolarHBondContact NZ-OD2 3.12Å; K393-A815 HydrophobicContact CB-CB 4.17Å; K393-A815 HydrophobicContact CD-CB 4.36Å; K393-I816 PolarHBondContact N-O 2.83Å
394Y95Very high90.8Very high1 Ų14.9 Ų4.90%0.0043%0.026CC..EExtended strand (participates in β ladder)trans-124128.8-179.3-66.3-90.5000110.7K675 W677 C787 V809 A815 T817 L818Y394-K675 WeakPolarHBondContact CA-O 3.48Å; Y394-K675 HydrophobicContact CD1-CB 3.88Å; Y394-K675 HydrophobicContact CD1-CD 4.47Å; Y394-K675 HydrophobicContact CE1-CB 4.01Å; Y394-K675 HydrophobicContact CE1-CD 3.74Å; Y394-K675 HydrophobicContact CE1-CG 4.4Å; Y394-W677 HydrophobicContact CD1-CZ2 4.35Å; Y394-W677 HydrophobicContact CE1-CZ2 4.05Å; Y394-C787 PolarHBondContact OH-SG 3.09Å; Y394-V809 HydrophobicContact CD1-CG1 4.25Å; Y394-V809 HydrophobicContact CD2-CG1 3.84Å; Y394-V809 HydrophobicContact CE1-CG1 4.45Å; Y394-V809 HydrophobicContact CE2-CG1 4.06Å; Y394-V809 HydrophobicContact CG-CG1 3.95Å; Y394-A815 HydrophobicContact CD2-CB 3.95Å; Y394-A815 HydrophobicContact CE2-CB 3.96Å; Y394-T817 WeakPolarHBondContact O-CA 3.19Å; Y394-L818 PolarHBondContact O-N 2.78Å
395I96.9Very high90.8Very high0 Ų07.4 Ų7.40%04%0.037CC..EExtended strand (participates in β ladder)trans-110.8124.2170.8-65.6172.3000108.2I392 L669 I674 K675 I676 W677 L818 I820 L861 L865I392-I395 HydrophobicContact CG2-CG1 4.01Å; I395-L669 HydrophobicContact CD1-CD1 3.85Å; I395-I674 HydrophobicContact CB-CG2 4.48Å; I395-I674 HydrophobicContact CD1-CG2 3.52Å; I395-I674 HydrophobicContact CG1-CG2 3.66Å; I395-K675 PolarHBondContact N-O 2.88Å; I395-I676 HydrophobicContact CB-CG1 4.37Å; I395-I676 HydrophobicContact CG2-CG2 4.41Å; I395-I676 CarbonylContact O-C 3.54Å; I395-I676 WeakPolarHBondContact O-CA 3.3Å; I395-W677 PolarHBondContact O-N 3.05Å; I395-L818 CarbonylContact C-O 3.54Å; I395-L818 WeakPolarHBondContact CA-O 3.41Å; I395-L818 HydrophobicContact CG1-CB 4.31Å; I395-L818 HydrophobicContact CG1-CD2 4.27Å; I395-L818 HydrophobicContact CG2-CD2 4.01Å; I395-I820 HydrophobicContact CG2-CG2 4.19Å; I395-L861 HydrophobicContact CD1-CD2 4.13Å; I395-L861 HydrophobicContact CG2-CD2 4.5Å; I395-L865 HydrophobicContact CD1-CD1 3.85Å
396F96.9Very high90.3Very high0 Ų09.3 Ų9.30%05%0.048CC..EExtended strand (participates in β ladder)trans-102.1114.4170.6-57.3-85000108W677 L679 V805 V806 V809 T817 L818 A819 I820 M829F396-W677 CarbonylContact C-O 3.57Å; F396-W677 WeakPolarHBondContact CA-O 3.47Å; F396-W677 HydrophobicContact CD1-CB 3.87Å; F396-W677 HydrophobicContact CD1-CE3 4.24Å; F396-W677 HydrophobicContact CD1-CG 4.45Å; F396-W677 HydrophobicContact CE1-CB 4.18Å; F396-W677 AromaticContact CE1-CD2 3.95Å; F396-W677 HydrophobicContact CE1-CD2 3.95Å; F396-W677 AromaticContact CE1-CE3 3.51Å; F396-W677 HydrophobicContact CE1-CE3 3.51Å; F396-W677 HydrophobicContact CE1-CG 4.28Å; F396-W677 HydrophobicContact CE1-CZ3 4.16Å; F396-W677 HydrophobicContact CZ-CE3 4.43Å; F396-L679 HydrophobicContact CB-CD1 4.17Å; F396-L679 HydrophobicContact CD1-CD1 3.86Å; F396-L679 HydrophobicContact CD1-CG 4.36Å; F396-L679 HydrophobicContact CG-CD1 4.38Å; F396-V805 HydrophobicContact CD1-CG1 4.45Å; F396-V805 HydrophobicContact CE1-CG1 3.99Å; F396-V806 HydrophobicContact CB-CG2 4.07Å; F396-V806 HydrophobicContact CD1-CG2 4.04Å; F396-V806 HydrophobicContact CD2-CB 4.43Å; F396-V806 HydrophobicContact CD2-CG1 4.26Å; F396-V806 HydrophobicContact CD2-CG2 3.67Å; F396-V806 HydrophobicContact CE1-CG2 4.39Å; F396-V806 HydrophobicContact CE2-CB 4.41Å; F396-V806 HydrophobicContact CE2-CG1 4.2Å; F396-V806 HydrophobicContact CE2-CG2 4.07Å; F396-V806 HydrophobicContact CG-CG2 3.64Å; F396-V806 HydrophobicContact CZ-CG2 4.41Å; F396-V809 HydrophobicContact CE1-CG2 4.28Å; F396-V809 HydrophobicContact CZ-CB 3.88Å; F396-V809 HydrophobicContact CZ-CG1 4.14Å; F396-V809 HydrophobicContact CZ-CG2 3.84Å; F396-T817 HydrophobicContact CE2-CG2 3.75Å; F396-T817 HydrophobicContact CZ-CG2 4.47Å; F396-L818 PolarHBondContact N-O 3.06Å; F396-A819 HydrophobicContact CB-CB 4.48Å; F396-A819 CarbonylContact O-C 3.52Å; F396-A819 VanDerWaalsContact O-CA 3.28Å; F396-A819 WeakPolarHBondContact O-CA 3.4Å; F396-I820 PolarHBondContact O-N 2.54Å; F396-M829 HydrophobicContact CB-SD 3.96Å
397S95Very high89.9Confident0 Ų012.7 Ų12.70%07%0.065CC..EExtended strand (participates in β ladder)trans-112.5139.9-177.1-169.30000110.5T402 W677 V678 L679S397-T402 WeakPolarHBondContact OG-CG2 3.49Å; S397-W677 PolarHBondContact N-O 2.72Å; S397-V678 CarbonylContact O-C 3.09Å; S397-V678 WeakPolarHBondContact O-CA 3.27Å; S397-L679 PolarHBondContact O-N 3.23Å
398D91.5Very high89.6Confident8 Ų813.6 Ų13.64%0.0437%0.069CC..  trans-74.4163.7157.6-164.859.5000111.1T400 T402 L403 K802 I820 D826D398-T400 PolarHBondContact OD2-N 3.19Å; D398-T402 WeakPolarHBondContact O-CB 3.33Å; D398-T402 WeakPolarHBondContact O-CG2 3.44Å; D398-L403 WeakPolarHBondContact O-CG 3.24Å; D398-K802 IonicContact OD1-NZ 3.96Å; D398-K802 PolarHBondContact OD1-NZ 3.06Å; D398-I820 PolarHBondContact N-O 2.89Å; D398-D826 WeakPolarHBondContact CB-OD2 3.37Å
399K88.8Confident89.4Confident3 Ų315.1 Ų15.11%0.0138%0.079CC..SBendtrans-99.2-50.9-179.8-175.3-12166.5156.20111.7L403 T404 D656 V678 T680 D682 T686 I690K399-L403 PolarHBondContact O-N 3.5Å; K399-T404 PolarHBondContact O-N 3.27Å; K399-T404 VanDerWaalsContact O-N 3.12Å; K399-T404 PolarHBondContact O-OG1 3.27Å; K399-D656 IonicContact NZ-OD2 2.88Å; K399-V678 HydrophobicContact CB-CG1 4Å; K399-T680 HydrophobicContact CB-CG2 4.43Å; K399-D682 HydrophobicContact CD-CB 4.47Å; K399-D682 VanDerWaalsContact CE-OD2 3.23Å; K399-D682 WeakPolarHBondContact CE-OD2 3.32Å; K399-D682 IonicContact NZ-OD2 3.76Å; K399-D682 PolarHBondContact NZ-OD2 2.85Å; K399-T686 HydrophobicContact CD-CG2 4.45Å; K399-I690 HydrophobicContact CD-CB 4.41Å; K399-I690 HydrophobicContact CD-CG1 4.01Å; K399-I690 HydrophobicContact CG-CB 4.19Å; K399-I690 HydrophobicContact CG-CG1 4.23Å; K399-I690 HydrophobicContact CG-CG2 3.84Å
400T82.1Confident89.3Confident20 Ų2015.4 Ų15.412%0.1238%0.08CC..THydrogen-bonded Turntrans-78.9135.5-174.4-49.90000107.9D398 T402 T404 N406 E843D398-T400 PolarHBondContact OD2-N 3.19Å; T400-T402 PolarHBondContact O-N 3.28Å; T400-T404 WeakPolarHBondContact CA-OG1 3.3Å; T400-N406 HydrophobicContact CG2-CB 4.26Å; T400-E843 WeakPolarHBondContact CG2-OE1 3.5Å
401G79.9Confident89.1Confident6 Ų617.2 Ų17.26%0.0629%0.09CC..THydrogen-bonded Turntrans68.9-17.9178.300000116.1T404 Q659 D822G401-T404 CarbonylContact C-O 3.4Å; G401-T404 VanDerWaalsContact C-O 3.25Å; G401-T404 VanDerWaalsContact CA-O 3.31Å; G401-T404 WeakPolarHBondContact CA-O 3.49Å; G401-T404 PolarHBondContact N-O 3.08Å; G401-T404 PolarHBondContact N-OG1 3.48Å; G401-Q659 PolarHBondContact O-NE2 2.9Å; G401-D822 VanDerWaalsContact C-CG 3.44Å; G401-D822 WeakPolarHBondContact CA-OD2 3.44Å
402T88.6Confident89Confident0 Ų017.8 Ų17.80%09%0.092CC..THydrogen-bonded Turntrans-100.4-61.3178.7-65.50000112.7S397 D398 T400 Q659 I820 G821 D822 I839 F858S397-T402 WeakPolarHBondContact OG-CG2 3.49Å; D398-T402 WeakPolarHBondContact O-CB 3.33Å; D398-T402 WeakPolarHBondContact O-CG2 3.44Å; T400-T402 PolarHBondContact O-N 3.28Å; T402-Q659 PolarHBondContact O-NE2 3.21Å; T402-Q659 VanDerWaalsContact O-NE2 3.16Å; T402-I820 HydrophobicContact CG2-CG1 4.19Å; T402-I820 HydrophobicContact CG2-CG2 4.22Å; T402-G821 VanDerWaalsContact OG1-CA 3.3Å; T402-G821 WeakPolarHBondContact OG1-CA 3.49Å; T402-D822 PolarHBondContact OG1-N 3.41Å; T402-D822 PolarHBondContact OG1-OD1 3.08Å; T402-I839 HydrophobicContact CG2-CD1 3.78Å; T402-F858 HydrophobicContact CG2-CD2 3.98Å; T402-F858 HydrophobicContact CG2-CE2 4.43Å
403L90.3Very high89Confident1 Ų117.8 Ų17.81%0.0059%0.092CC..THydrogen-bonded Turntrans-84.4-34.6174.5-64177.1000111.3D398 K399 L658 Q659 V662 I666 V678 I690 F858D398-L403 WeakPolarHBondContact O-CG 3.24Å; K399-L403 PolarHBondContact O-N 3.5Å; L403-L658 CarbonylContact O-C 3.59Å; L403-L658 WeakPolarHBondContact O-CA 3.48Å; L403-Q659 PolarHBondContact O-N 3.19Å; L403-V662 HydrophobicContact CB-CG1 4.46Å; L403-V662 HydrophobicContact CD2-CG1 3.77Å; L403-I666 HydrophobicContact CD2-CD1 4.18Å; L403-V678 HydrophobicContact CD1-CG2 4.08Å; L403-I690 HydrophobicContact CD1-CG2 4.47Å; L403-F858 HydrophobicContact CD2-CD1 4.35Å; L403-F858 HydrophobicContact CD2-CD2 3.93Å; L403-F858 HydrophobicContact CD2-CE1 4.13Å; L403-F858 HydrophobicContact CD2-CE2 3.68Å; L403-F858 HydrophobicContact CD2-CG 4.26Å; L403-F858 HydrophobicContact CD2-CZ 3.79Å
404T87.3Confident89.1Confident0 Ų015.5 Ų15.50%08%0.082CC..EExtended strand (participates in β ladder)trans-100.3154.9178.758.20000110.5K399 T400 G401 D656 K657 L658 I690K399-T404 PolarHBondContact O-N 3.27Å; K399-T404 VanDerWaalsContact O-N 3.12Å; K399-T404 PolarHBondContact O-OG1 3.27Å; T400-T404 WeakPolarHBondContact CA-OG1 3.3Å; G401-T404 CarbonylContact C-O 3.4Å; G401-T404 VanDerWaalsContact C-O 3.25Å; G401-T404 VanDerWaalsContact CA-O 3.31Å; G401-T404 WeakPolarHBondContact CA-O 3.49Å; G401-T404 PolarHBondContact N-O 3.08Å; G401-T404 PolarHBondContact N-OG1 3.48Å; T404-D656 WeakPolarHBondContact CB-OD1 3.36Å; T404-D656 WeakPolarHBondContact CG2-OD1 3.34Å; T404-K657 CarbonylContact C-O 3.45Å; T404-K657 WeakPolarHBondContact CA-O 3.44Å; T404-L658 HydrophobicContact CG2-CD2 4.05Å; T404-I690 HydrophobicContact CG2-CD1 3.67Å; T404-I690 HydrophobicContact CG2-CG1 4.13Å; T404-I690 HydrophobicContact CG2-CG2 4.47Å
405Q82.4Confident89Confident59 Ų5915.7 Ų15.728%0.2768%0.083SC..EExtended strand (participates in β ladder)trans-80.6-4.6171.5-61.7-176.726.500112I407 K657 L658 Q659Q405-I407 HydrophobicContact CB-CB 4.42Å; Q405-I407 HydrophobicContact CB-CD1 4.14Å; Q405-I407 HydrophobicContact CB-CG1 4.19Å; Q405-I407 PolarHBondContact O-N 3.45Å; Q405-K657 PolarHBondContact N-O 3.15Å; Q405-L658 PolarHBondContact NE2-O 3.22Å; Q405-Q659 HydrophobicContact CG-CB 4.37Å; Q405-Q659 HydrophobicContact CG-CG 3.94Å
406N77.3Confident88.8Confident40 Ų4019.9 Ų19.921%0.21411%0.105CC..EExtended strand (participates in β ladder)trans55.836.1-169.2-159.214.6000112.4T400T400-N406 HydrophobicContact CG2-CB 4.26Å
407I82.1Confident88.3Confident71 Ų7120.9 Ų20.936%0.36412%0.116SC..EExtended strand (participates in β ladder)trans-121115.8177.3-60.8172000107.6Q405 T409 K657Q405-I407 HydrophobicContact CB-CB 4.42Å; Q405-I407 HydrophobicContact CB-CD1 4.14Å; Q405-I407 HydrophobicContact CB-CG1 4.19Å; Q405-I407 PolarHBondContact O-N 3.45Å; I407-T409 HydrophobicContact CG2-CG2 4.07Å; I407-K657 PolarHBondContact O-N 3.06Å; I407-K657 VanDerWaalsContact O-N 3.14Å
408M85.3Confident88.1Confident20 Ų2025.8 Ų25.810%0.09914%0.137CC..EExtended strand (participates in β ladder)trans-90.6129.3174.7-58.2-59.2163.900109.5P500 A504 V654 E655 D656M408-P500 HydrophobicContact CB-CB 4.26Å; M408-P500 HydrophobicContact CE-CG 4.16Å; M408-P500 HydrophobicContact CG-CB 3.6Å; M408-P500 HydrophobicContact CG-CG 3.84Å; M408-A504 HydrophobicContact CB-CB 3.97Å; M408-A504 WeakPolarHBondContact O-CB 3.34Å; M408-V654 HydrophobicContact CB-CG1 3.84Å; M408-E655 WeakPolarHBondContact CA-O 3.12Å; M408-D656 HydrophobicContact CE-CB 4.03Å; M408-D656 VanDerWaalsContact CE-CG 3.5Å; M408-D656 HydrophobicContact SD-CB 3.6Å; M408-D656 VanDerWaalsContact SD-CB 3.6Å
409T88.3Confident88Confident34 Ų3427 Ų2721%0.20914%0.144CC..EExtended strand (participates in β ladder)trans-128.1132.6176.654.30000111.1I407 N411 V654 E655 K657I407-T409 HydrophobicContact CG2-CG2 4.07Å; T409-N411 PolarHBondContact O-N 3.24Å; T409-V654 WeakPolarHBondContact O-CA 3.41Å; T409-E655 PolarHBondContact N-O 2.83Å; T409-E655 PolarHBondContact O-N 3.01Å; T409-K657 HydrophobicContact CG2-CD 4.03Å; T409-K657 VanDerWaalsContact OG1-CE 3.25Å; T409-K657 WeakPolarHBondContact OG1-CE 3.2Å
410F91.8Very high88.2Confident5 Ų527.5 Ų27.52%0.02215%0.146CC..EExtended strand (participates in β ladder)trans-62.4123.2168.2178.9-92.4000109.4C413 F452 F454 L505 A508 F512 T652F410-C413 HydrophobicContact CE2-CB 4.14Å; F410-C413 HydrophobicContact CZ-CB 3.64Å; F410-F452 HydrophobicContact CB-CE2 4.31Å; F410-F452 HydrophobicContact CD1-CZ 4.37Å; F410-F454 HydrophobicContact CD1-CD2 4.49Å; F410-F454 HydrophobicContact CD1-CE2 4.27Å; F410-F454 HydrophobicContact CE1-CE2 4.03Å; F410-L505 HydrophobicContact CD2-CD2 4.05Å; F410-A508 HydrophobicContact CB-CB 3.67Å; F410-A508 HydrophobicContact CD1-CB 3.92Å; F410-A508 HydrophobicContact CD2-CB 3.98Å; F410-A508 HydrophobicContact CG-CB 3.59Å; F410-F512 HydrophobicContact CE1-CE2 4.31Å; F410-T652 HydrophobicContact CE2-CG2 4.13Å
411N89.4Confident88.3Confident40 Ų4026.8 Ų26.821%0.21414%0.143CC..EExtended strand (participates in β ladder)trans-117-54-171.5-169.2-46.4000111.6T409 F454 L599 A653 E655T409-N411 PolarHBondContact O-N 3.24Å; N411-F454 WeakPolarHBondContact O-CE2 3.42Å; N411-L599 HydrophobicContact CB-CD2 4.22Å; N411-A653 PolarHBondContact N-O 2.84Å; N411-E655 HydrophobicContact CB-CB 4.05Å; N411-E655 PolarHBondContact ND2-OE2 3.25Å
412K92.2Very high88.3Confident18 Ų1827.5 Ų27.58%0.07814%0.144CC..EExtended strand (participates in β ladder)trans-132.5161.5-179.3-54.1-176.3-179.5-179.90111.8Y420 E422 Y594 D597 L599 A653K412-Y420 WeakPolarHBondContact CA-O 3.4Å; K412-Y420 WeakPolarHBondContact CB-O 2.88Å; K412-E422 HydrophobicContact CD-CG 4.17Å; K412-E422 IonicContact NZ-OE1 2.8Å; K412-E422 PolarHBondContact NZ-OE1 3.06Å; K412-Y594 HydrophobicContact CB-CD1 4.22Å; K412-Y594 HydrophobicContact CB-CE1 3.73Å; K412-Y594 HydrophobicContact CD-CD1 3.78Å; K412-Y594 HydrophobicContact CD-CE1 3.66Å; K412-Y594 HydrophobicContact CG-CE1 4.34Å; K412-D597 IonicContact NZ-OD2 3.06Å; K412-D597 PolarHBondContact NZ-OD2 3.28Å; K412-L599 HydrophobicContact CB-CD1 4.47Å; K412-L599 HydrophobicContact CD-CD1 3.93Å; K412-L599 HydrophobicContact CG-CD1 4.07Å; K412-A653 HydrophobicContact CB-CB 3.96Å; K412-A653 PolarHBondContact N-O 3.41Å; K412-A653 WeakPolarHBondContact O-CB 3.46Å; K412-A653 PolarHBondContact O-N 2.97Å
413C94.2Very high87.5Confident0 Ų029.4 Ų29.40%016%0.155CC..EExtended strand (participates in β ladder)trans-150.3155.9166.263.60000112.6F410 Y420 F473 Y594 A651F410-C413 HydrophobicContact CE2-CB 4.14Å; F410-C413 HydrophobicContact CZ-CB 3.64Å; C413-Y420 PolarHBondContact N-O 2.98Å; C413-Y420 VanDerWaalsContact N-O 3.11Å; C413-Y420 PolarHBondContact O-N 3.05Å; C413-F473 HydrophobicContact CB-CE1 4.19Å; C413-F473 HydrophobicContact CB-CZ 3.71Å; C413-Y594 PolarHBondContact O-OH 3.17Å; C413-Y594 VanDerWaalsContact O-OH 3.09Å; C413-A651 CarbonylContact C-O 3.6Å; C413-A651 VanDerWaalsContact CA-O 3.31Å; C413-A651 WeakPolarHBondContact CA-O 3.32Å; C413-A651 WeakPolarHBondContact CB-O 3.24Å
414S95.1Very high86.6Confident0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-116.1112.1172.9170.40000108.4K418 H590 Y594 G650 A651S414-K418 CarbonylContact C-O 3.56Å; S414-K418 VanDerWaalsContact CA-O 3.29Å; S414-K418 WeakPolarHBondContact CA-O 3.41Å; S414-H590 WeakPolarHBondContact CB-ND1 3.41Å; S414-H590 PolarHBondContact OG-ND1 3.36Å; S414-Y594 PolarHBondContact N-OH 2.99Å; S414-G650 CarbonylContact O-C 3.54Å; S414-G650 WeakPolarHBondContact O-CA 3.47Å; S414-A651 PolarHBondContact N-O 3.37Å; S414-A651 PolarHBondContact O-N 3.25Å
415I94.6Very high85.8Confident5 Ų538 Ų383%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-116.7124.2-178.9-50.7178.4000108.4G417 K418 Y420 L459 E469 A470 F473 F474I415-G417 PolarHBondContact O-N 3.43Å; I415-K418 PolarHBondContact N-O 3.32Å; I415-K418 PolarHBondContact O-N 2.86Å; I415-Y420 HydrophobicContact CB-CD2 4.37Å; I415-Y420 HydrophobicContact CB-CE2 3.96Å; I415-Y420 HydrophobicContact CD1-CD2 4.37Å; I415-Y420 HydrophobicContact CD1-CE2 4.37Å; I415-Y420 HydrophobicContact CG1-CD2 4.21Å; I415-Y420 HydrophobicContact CG1-CE2 4.25Å; I415-L459 HydrophobicContact CD1-CD1 3.8Å; I415-E469 HydrophobicContact CG2-CB 4.39Å; I415-A470 HydrophobicContact CD1-CB 4.43Å; I415-A470 HydrophobicContact CG2-CB 4.46Å; I415-F473 HydrophobicContact CD1-CB 4.27Å; I415-F473 HydrophobicContact CD1-CD1 3.8Å; I415-F473 HydrophobicContact CD1-CD2 4.29Å; I415-F473 HydrophobicContact CD1-CE1 4.13Å; I415-F473 HydrophobicContact CD1-CG 3.88Å; I415-F473 HydrophobicContact CD1-CZ 4.49Å; I415-F473 HydrophobicContact CG1-CD1 4.18Å; I415-F473 HydrophobicContact CG1-CD2 3.82Å; I415-F473 HydrophobicContact CG1-CE1 4.3Å; I415-F473 HydrophobicContact CG1-CE2 3.93Å; I415-F473 HydrophobicContact CG1-CG 3.94Å; I415-F473 HydrophobicContact CG1-CZ 4.17Å; I415-F473 HydrophobicContact CG2-CB 4.27Å; I415-F473 HydrophobicContact CG2-CD2 4.43Å; I415-F473 HydrophobicContact CG2-CG 4.49Å; I415-F474 HydrophobicContact CD1-CE2 4.42Å
416N91.1Very high85Confident87 Ų8746.1 Ų46.147%0.46523%0.227SC..THydrogen-bonded Turntrans47.835.8-178.6-162.118.6000114E469 L649N416-E469 HydrophobicContact CB-CB 4.16Å; N416-E469 HydrophobicContact CB-CG 4.23Å; N416-L649 PolarHBondContact N-O 2.67Å
417G86.1Confident84.5Confident22 Ų2248.2 Ų48.223%0.22725%0.245CC..THydrogen-bonded Turntrans82.39176.400000114.6I415 V586 H590I415-G417 PolarHBondContact O-N 3.43Å; G417-V586 WeakPolarHBondContact O-CG1 3.38Å; G417-H590 PolarHBondContact O-CE1 2.98Å
418K91.1Very high83.3Confident103 Ų10347.4 Ų47.445%0.44825%0.254SS..EExtended strand (participates in β ladder)trans-106.4130.5170.5-176.6168.3162.8-158.10110.1S414 I415 Y420S414-K418 CarbonylContact C-O 3.56Å; S414-K418 VanDerWaalsContact CA-O 3.29Å; S414-K418 WeakPolarHBondContact CA-O 3.41Å; I415-K418 PolarHBondContact N-O 3.32Å; I415-K418 PolarHBondContact O-N 2.86Å; K418-Y420 HydrophobicContact CB-CE2 3.93Å; K418-Y420 HydrophobicContact CD-CE1 4.13Å; K418-Y420 HydrophobicContact CD-CE2 4.26Å; K418-Y420 VanDerWaalsContact CD-OH 3.26Å; K418-Y420 WeakPolarHBondContact CD-OH 3.3Å; K418-Y420 WeakPolarHBondContact CE-OH 3.3Å; K418-Y420 HydrophobicContact CG-CE1 4.29Å; K418-Y420 HydrophobicContact CG-CE2 3.87Å; K418-Y420 PolarHBondContact NZ-OH 3.06Å; K418-Y420 WeakPolarHBondContact O-CD2 3.45Å
419N91Very high82.3Confident34 Ų3452.9 Ų52.918%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-84.2136.9177.5-171.416.6000110.2E422 Y594N419-E422 PolarHBondContact ND2-OE2 3.05Å; N419-Y594 WeakPolarHBondContact OD1-CE1 3.28Å; N419-Y594 PolarHBondContact OD1-OH 3.17Å
420Y91.3Very high81.1Confident12 Ų1257 Ų575%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-131.5150.9178.5-63.1-84.2000110.5K412 C413 I415 K418 D456 L459K412-Y420 WeakPolarHBondContact CA-O 3.4Å; K412-Y420 WeakPolarHBondContact CB-O 2.88Å; C413-Y420 PolarHBondContact N-O 2.98Å; C413-Y420 VanDerWaalsContact N-O 3.11Å; C413-Y420 PolarHBondContact O-N 3.05Å; I415-Y420 HydrophobicContact CB-CD2 4.37Å; I415-Y420 HydrophobicContact CB-CE2 3.96Å; I415-Y420 HydrophobicContact CD1-CD2 4.37Å; I415-Y420 HydrophobicContact CD1-CE2 4.37Å; I415-Y420 HydrophobicContact CG1-CD2 4.21Å; I415-Y420 HydrophobicContact CG1-CE2 4.25Å; K418-Y420 HydrophobicContact CB-CE2 3.93Å; K418-Y420 HydrophobicContact CD-CE1 4.13Å; K418-Y420 HydrophobicContact CD-CE2 4.26Å; K418-Y420 VanDerWaalsContact CD-OH 3.26Å; K418-Y420 WeakPolarHBondContact CD-OH 3.3Å; K418-Y420 WeakPolarHBondContact CE-OH 3.3Å; K418-Y420 HydrophobicContact CG-CE1 4.29Å; K418-Y420 HydrophobicContact CG-CE2 3.87Å; K418-Y420 PolarHBondContact NZ-OH 3.06Å; K418-Y420 WeakPolarHBondContact O-CD2 3.45Å; Y420-D456 WeakPolarHBondContact CA-OD2 3.3Å; Y420-L459 HydrophobicContact CD1-CB 3.73Å; Y420-L459 HydrophobicContact CD1-CD1 3.94Å; Y420-L459 HydrophobicContact CD1-CG 4.36Å; Y420-L459 HydrophobicContact CD2-CD1 4.05Å; Y420-L459 HydrophobicContact CE1-CB 4.35Å; Y420-L459 HydrophobicContact CE1-CD1 4.18Å; Y420-L459 HydrophobicContact CE2-CD1 4.32Å; Y420-L459 HydrophobicContact CG-CB 4.17Å; Y420-L459 HydrophobicContact CG-CD1 3.85Å; Y420-L459 HydrophobicContact CG-CG 4.4Å
421G83.9Confident80Confident6 Ų659.9 Ų59.96%0.06231%0.309CS..SBendtrans1019.4-177.800000114.5D456G421-D456 PolarHBondContact N-OD2 3.32Å
422E80.1Confident78.8Confident20 Ų2063.7 Ų63.79%0.09333%0.325CS..  trans-117.5137.3175.5-62-164.4136.600111.7K412 N419 Y424 R430K412-E422 HydrophobicContact CD-CG 4.17Å; K412-E422 IonicContact NZ-OE1 2.8Å; K412-E422 PolarHBondContact NZ-OE1 3.06Å; N419-E422 PolarHBondContact ND2-OE2 3.05Å; E422-Y424 HydrophobicContact CB-CD2 4.42Å; E422-Y424 HydrophobicContact CB-CE2 3.69Å; E422-Y424 PolarHBondContact OE2-OH 3.15Å; E422-R430 IonicContact OE1-CZ 3.91Å; E422-R430 IonicContact OE1-NE 3.05Å; E422-R430 PolarHBondContact OE1-NE 2.62Å; E422-R430 IonicContact OE1-NH1 3.41Å; E422-R430 PolarHBondContact OE1-NH1 3.19Å; E422-R430 IonicContact OE1-NH2 3.93Å; E422-R430 PolarHBondContact OE1-NH2 3.24Å; E422-R430 IonicContact OE2-CZ 3.87Å; E422-R430 IonicContact OE2-NE 3.03Å; E422-R430 PolarHBondContact OE2-NE 3.05Å; E422-R430 VanDerWaalsContact OE2-NE 3.13Å; E422-R430 IonicContact OE2-NH1 2.82Å; E422-R430 IonicContact OE2-NH2 3.28Å; E422-R430 PolarHBondContact OE2-NH2 2.89Å
423L73.6Confident77.5Confident41 Ų4166.2 Ų66.222%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-98.2133.3173.7-65.8177000109.8R430 V431 I433 T437 H455L423-R430 CarbonylContact O-C 3.57Å; L423-R430 WeakPolarHBondContact O-CA 3.29Å; L423-V431 HydrophobicContact CB-CB 4.1Å; L423-V431 PolarHBondContact O-N 3.25Å; L423-I433 HydrophobicContact CD1-CG1 4.1Å; L423-T437 HydrophobicContact CD1-CG2 3.47Å; L423-T437 VanDerWaalsContact CD1-CG2 3.47Å; L423-H455 HydrophobicContact CD1-CB 4.23Å
424Y71.3Confident76.1Confident119 Ų11969.7 Ų69.747%0.46736%0.361SS..EExtended strand (participates in β ladder)trans-116.5138.3175.1-66.3-92000109E422 Q429 R430E422-Y424 HydrophobicContact CB-CD2 4.42Å; E422-Y424 HydrophobicContact CB-CE2 3.69Å; E422-Y424 PolarHBondContact OE2-OH 3.15Å; Y424-Q429 CarbonylContact C-O 3.59Å; Y424-Q429 WeakPolarHBondContact CA-O 3.43Å; Y424-R430 HydrophobicContact CD1-CG 3.95Å; Y424-R430 HydrophobicContact CE1-CG 3.48Å; Y424-R430 VanDerWaalsContact CE1-CG 3.48Å; Y424-R430 PolarHBondContact OH-NE 3.4Å; Y424-R430 VanDerWaalsContact OH-NE 3.16Å; Y424-R430 PolarHBondContact OH-NH2 3.25Å
425D69Low74.5Confident62 Ų6278.8 Ų78.833%0.33240%0.403SS..  trans-76.2173.817275.53.9000111S427 G428 Q429 V431D425-S427 PolarHBondContact O-N 3.35Å; D425-S427 VanDerWaalsContact OD1-C 3.24Å; D425-S427 WeakPolarHBondContact OD1-CA 3.28Å; D425-S427 WeakPolarHBondContact OD1-CB 3.43Å; D425-S427 PolarHBondContact OD1-N 2.75Å; D425-S427 PolarHBondContact OD1-OG 3.01Å; D425-S427 PolarHBondContact OD2-OG 3.1Å; D425-G428 PolarHBondContact O-N 2.93Å; D425-G428 PolarHBondContact OD1-N 3.44Å; D425-Q429 PolarHBondContact N-O 2.88Å; D425-Q429 PolarHBondContact OD1-N 2.96Å; D425-V431 HydrophobicContact CB-CG2 3.72Å
426F66.5Low73.1Confident230 Ų23088 Ų88100%1.00944%0.443SS*.THydrogen-bonded Turntrans-61.7-14.9176.9-64.6-76.4000113.8
427S65.7Low72.4Confident84 Ų8485.1 Ų85.159%0.58743%0.429SS*.THydrogen-bonded Turntrans-92.6-1175.7820000113.4D425 Q429D425-S427 PolarHBondContact O-N 3.35Å; D425-S427 VanDerWaalsContact OD1-C 3.24Å; D425-S427 WeakPolarHBondContact OD1-CA 3.28Å; D425-S427 WeakPolarHBondContact OD1-CB 3.43Å; D425-S427 PolarHBondContact OD1-N 2.75Å; D425-S427 PolarHBondContact OD1-OG 3.01Å; D425-S427 PolarHBondContact OD2-OG 3.1Å; S427-Q429 VanDerWaalsContact C-N 3.31Å
428G58.8Low72Confident54 Ų5491.2 Ų91.256%0.55745%0.451SS*.SBendtrans77.911.4-176.700000114D425D425-G428 PolarHBondContact O-N 2.93Å; D425-G428 PolarHBondContact OD1-N 3.44Å
429Q63.3Low71.7Confident135 Ų13591.3 Ų91.363%0.63145%0.451SS*.PPolyproline II helixtrans-86.3143.1172.1-67.2-170.38.800110.8Y424 D425 S427 V431Y424-Q429 CarbonylContact C-O 3.59Å; Y424-Q429 WeakPolarHBondContact CA-O 3.43Å; D425-Q429 PolarHBondContact N-O 2.88Å; D425-Q429 PolarHBondContact OD1-N 2.96Å; S427-Q429 VanDerWaalsContact C-N 3.31Å; Q429-V431 PolarHBondContact O-N 2.87Å
430R63.6Low71.4Confident120 Ų12090.2 Ų90.245%0.45345%0.446SS..EExtended strand (participates in β ladder)trans-66.5131.8176.8-70.3-176.8178.8179.8-3.6110.9E422 L423 Y424 E593E422-R430 IonicContact OE1-CZ 3.91Å; E422-R430 IonicContact OE1-NE 3.05Å; E422-R430 PolarHBondContact OE1-NE 2.62Å; E422-R430 IonicContact OE1-NH1 3.41Å; E422-R430 PolarHBondContact OE1-NH1 3.19Å; E422-R430 IonicContact OE1-NH2 3.93Å; E422-R430 PolarHBondContact OE1-NH2 3.24Å; E422-R430 IonicContact OE2-CZ 3.87Å; E422-R430 IonicContact OE2-NE 3.03Å; E422-R430 PolarHBondContact OE2-NE 3.05Å; E422-R430 VanDerWaalsContact OE2-NE 3.13Å; E422-R430 IonicContact OE2-NH1 2.82Å; E422-R430 IonicContact OE2-NH2 3.28Å; E422-R430 PolarHBondContact OE2-NH2 2.89Å; L423-R430 CarbonylContact O-C 3.57Å; L423-R430 WeakPolarHBondContact O-CA 3.29Å; Y424-R430 HydrophobicContact CD1-CG 3.95Å; Y424-R430 HydrophobicContact CE1-CG 3.48Å; Y424-R430 VanDerWaalsContact CE1-CG 3.48Å; Y424-R430 PolarHBondContact OH-NE 3.4Å; Y424-R430 VanDerWaalsContact OH-NE 3.16Å; Y424-R430 PolarHBondContact OH-NH2 3.25Å; R430-E593 IonicContact CZ-OE1 2.94Å; R430-E593 IonicContact CZ-OE2 2.71Å; R430-E593 VanDerWaalsContact NH1-CD 3.33Å; R430-E593 IonicContact NH1-OE1 2.72Å; R430-E593 PolarHBondContact NH1-OE1 3.25Å; R430-E593 IonicContact NH1-OE2 3.24Å; R430-E593 IonicContact NH2-OE1 2.87Å; R430-E593 PolarHBondContact NH2-OE1 3.41Å; R430-E593 IonicContact NH2-OE2 3.6Å; R430-E593 PolarHBondContact NH2-OE2 2.63Å
431V68.1Low71Confident66 Ų6694.6 Ų94.640%0.447%0.471SS..EExtended strand (participates in β ladder)trans-93.6129.2175.3-177.90000109.1L423 D425 Q429 I433L423-V431 HydrophobicContact CB-CB 4.1Å; L423-V431 PolarHBondContact O-N 3.25Å; D425-V431 HydrophobicContact CB-CG2 3.72Å; Q429-V431 PolarHBondContact O-N 2.87Å; V431-I433 PolarHBondContact O-N 3.1Å
432E63.7Low71.1Confident119 Ų11995.2 Ų95.256%0.55647%0.472SS*.PPolyproline II helixtrans-68.5126.9172.7-74-175.816800110.8T434 P1124E432-T434 PolarHBondContact O-N 2.95Å; E432-P1124 WeakPolarHBondContact OE1-CG 3.4Å; E432-P1124 WeakPolarHBondContact OE2-CG 3.43Å
433I66.1Low71.3Confident71 Ų7198.4 Ų98.436%0.36450%0.496SS..  trans-75.2115.8174.7-62.8169.2000107.9L423 V431 H455L423-I433 HydrophobicContact CD1-CG1 4.1Å; V431-I433 PolarHBondContact O-N 3.1Å; I433-H455 HydrophobicContact CD1-CB 4.17Å; I433-H455 WeakPolarHBondContact CG2-CD2 3.33Å; I433-H455 VanDerWaalsContact CG2-NE2 3.34Å; I433-H455 WeakPolarHBondContact CG2-NE2 3.35Å
434T64Low71.9Confident74 Ų74100.2 Ų100.245%0.45450%0.5SS..  trans-114.7169.7175.163.10000109.9E432 K436 T437E432-T434 PolarHBondContact O-N 2.95Å; T434-K436 PolarHBondContact O-N 3.31Å; T434-K436 PolarHBondContact OG1-N 3.25Å; T434-T437 PolarHBondContact N-OG1 2.64Å; T434-T437 VanDerWaalsContact O-CB 3.25Å; T434-T437 WeakPolarHBondContact O-CB 3.49Å; T434-T437 PolarHBondContact O-N 2.72Å; T434-T437 PolarHBondContact O-OG1 2.78Å; T434-T437 PolarHBondContact OG1-OG1 2.92Å
435E62.5Low72.5Confident190 Ų19095.5 Ų95.589%0.88848%0.483SS*.THydrogen-bonded Turntrans-57-18.6173.8-67.4-178.6162.600113.5
436K64.7Low73.2Confident198 Ų198102.5 Ų102.586%0.86151%0.51SS*.THydrogen-bonded Turntrans-88-9.2177-62.5-175179.3-177.10113.4T434T434-K436 PolarHBondContact O-N 3.31Å; T434-K436 PolarHBondContact OG1-N 3.25Å
437T75.9Confident74.1Confident28 Ų2893.2 Ų93.217%0.17247%0.471CS..SBendtrans-71.6133.6179.2-55.70000109.5L423 T434 K439L423-T437 HydrophobicContact CD1-CG2 3.47Å; L423-T437 VanDerWaalsContact CD1-CG2 3.47Å; T434-T437 PolarHBondContact N-OG1 2.64Å; T434-T437 VanDerWaalsContact O-CB 3.25Å; T434-T437 WeakPolarHBondContact O-CB 3.49Å; T434-T437 PolarHBondContact O-N 2.72Å; T434-T437 PolarHBondContact O-OG1 2.78Å; T434-T437 PolarHBondContact OG1-OG1 2.92Å; T437-K439 PolarHBondContact O-N 2.99Å
438Q77.8Confident75Confident150 Ų15090.2 Ų90.270%0.70145%0.451SS*.PPolyproline II helixtrans-61.3138.4-177-159.9175.7-5.800110.7H455 Y457Q438-H455 PolarHBondContact O-ND1 3.17Å; Q438-Y457 WeakPolarHBondContact CG-OH 3.47Å
439K84.3Confident76.3Confident104 Ų10489.4 Ų89.445%0.45243%0.434SS..PPolyproline II helixtrans-92.1148.1177.7-64.8-179.3176.4-169.40110.1T437 D453 Y457T437-K439 PolarHBondContact O-N 2.99Å; K439-D453 WeakPolarHBondContact CD-OD1 3.17Å; K439-D453 VanDerWaalsContact CE-OD1 3.27Å; K439-D453 WeakPolarHBondContact CE-OD1 3.45Å; K439-D453 WeakPolarHBondContact CE-OD2 3.48Å; K439-D453 IonicContact NZ-OD1 3.48Å; K439-D453 PolarHBondContact NZ-OD1 3.33Å; K439-D453 IonicContact NZ-OD2 3.13Å; K439-D453 PolarHBondContact NZ-OD2 2.9Å; K439-Y457 PolarHBondContact O-OH 3.13Å
440V84.5Confident77.2Confident12 Ų1288.8 Ų88.87%0.07344%0.442CS..PPolyproline II helixtrans-64.8136.1172.11730000109.8F442 F454 Y457 V460V440-F442 HydrophobicContact CB-CE2 3.97Å; V440-F442 HydrophobicContact CB-CZ 4.27Å; V440-F442 HydrophobicContact CG1-CD2 4.33Å; V440-F442 HydrophobicContact CG1-CE1 4.27Å; V440-F442 HydrophobicContact CG1-CE2 3.87Å; V440-F442 HydrophobicContact CG1-CZ 3.83Å; V440-F454 WeakPolarHBondContact CB-O 3.36Å; V440-F454 HydrophobicContact CG2-CD1 4.31Å; V440-F454 WeakPolarHBondContact CG2-O 3.28Å; V440-F454 PolarHBondContact N-O 2.79Å; V440-Y457 HydrophobicContact CB-CD1 4.48Å; V440-Y457 HydrophobicContact CB-CE1 4.3Å; V440-Y457 HydrophobicContact CG1-CD1 4.44Å; V440-Y457 HydrophobicContact CG2-CD1 3.92Å; V440-Y457 HydrophobicContact CG2-CD2 4.41Å; V440-Y457 HydrophobicContact CG2-CE1 4.01Å; V440-Y457 HydrophobicContact CG2-CE2 4.49Å; V440-Y457 HydrophobicContact CG2-CG 4.12Å; V440-V460 HydrophobicContact CG1-CB 4.36Å; V440-V460 HydrophobicContact CG1-CG2 3.57Å
441D84.1Confident78.1Confident104 Ų10491.6 Ų91.656%0.55646%0.457SS*.  trans-85.4115176.6-176.716.7000110.8S443D441-S443 WeakPolarHBondContact OD1-CB 3.13Å; D441-S443 PolarHBondContact OD1-N 3.04Å; D441-S443 PolarHBondContact OD1-OG 3.16Å; D441-S443 PolarHBondContact OD2-OG 2.68Å
442F85.6Confident79Confident19 Ų1989.7 Ų89.78%0.08344%0.444CS..  trans-97.710.4176-69.3-77.6000113.4V440 W444 N445 A448 F452 F454 V460 N511 F512V440-F442 HydrophobicContact CB-CE2 3.97Å; V440-F442 HydrophobicContact CB-CZ 4.27Å; V440-F442 HydrophobicContact CG1-CD2 4.33Å; V440-F442 HydrophobicContact CG1-CE1 4.27Å; V440-F442 HydrophobicContact CG1-CE2 3.87Å; V440-F442 HydrophobicContact CG1-CZ 3.83Å; F442-W444 PolarHBondContact O-N 3.35Å; F442-N445 PolarHBondContact O-N 2.89Å; F442-A448 HydrophobicContact CB-CB 3.87Å; F442-F452 HydrophobicContact CD2-CD1 4.32Å; F442-F452 AromaticContact CE2-CD1 3.73Å; F442-F452 HydrophobicContact CE2-CD1 3.73Å; F442-F452 AromaticContact CE2-CE1 3.88Å; F442-F452 HydrophobicContact CE2-CE1 3.88Å; F442-F452 AromaticContact CZ-CD1 3.98Å; F442-F452 HydrophobicContact CZ-CD1 3.98Å; F442-F452 AromaticContact CZ-CE1 3.71Å; F442-F452 HydrophobicContact CZ-CE1 3.71Å; F442-F454 HydrophobicContact CE2-CB 4.03Å; F442-F454 HydrophobicContact CZ-CB 4.03Å; F442-V460 HydrophobicContact CE1-CG2 3.83Å; F442-V460 HydrophobicContact CZ-CG2 4.15Å; F442-N511 HydrophobicContact CD1-CB 4.14Å; F442-N511 WeakPolarHBondContact CD1-O 3.38Å; F442-N511 HydrophobicContact CE1-CB 4.1Å; F442-N511 HydrophobicContact CZ-CB 4.46Å; F442-F512 HydrophobicContact CE1-CD1 4.25Å; F442-F512 HydrophobicContact CE1-CE1 4.18Å; F442-F512 HydrophobicContact CZ-CE1 4.29Å; F442-F512 HydrophobicContact CZ-CZ 4.27Å
443S84.6Confident79.9Confident86 Ų8687.2 Ų87.260%0.60144%0.435SS*.THydrogen-bonded Turntrans-55.1-24.3-178.764.50000114.8D441 N445D441-S443 WeakPolarHBondContact OD1-CB 3.13Å; D441-S443 PolarHBondContact OD1-N 3.04Å; D441-S443 PolarHBondContact OD1-OG 3.16Å; D441-S443 PolarHBondContact OD2-OG 2.68Å; S443-N445 PolarHBondContact O-N 3.36Å
444W85.2Confident80.9Confident79 Ų7984.2 Ų84.230%0.29942%0.419SS..THydrogen-bonded Turntrans-64.5-23.6175.464.2-90.3000113.2F442 V460 M529F442-W444 PolarHBondContact O-N 3.35Å; W444-V460 HydrophobicContact CZ2-CG1 4.37Å; W444-M529 HydrophobicContact CH2-CE 4.23Å; W444-M529 HydrophobicContact CH2-SD 4.33Å; W444-M529 HydrophobicContact CZ3-CE 4.01Å; W444-M529 HydrophobicContact CZ3-SD 4.35Å
445N85.4Confident81.9Confident21 Ų2182.2 Ų82.211%0.11240%0.404CS..  trans-105103.4175.6178.14.3000109.8F442 S443 L447 A448 R510 N511F442-N445 PolarHBondContact O-N 2.89Å; S443-N445 PolarHBondContact O-N 3.36Å; N445-L447 PolarHBondContact O-N 2.8Å; N445-L447 VanDerWaalsContact O-N 3.08Å; N445-L447 PolarHBondContact OD1-N 3.39Å; N445-A448 HydrophobicContact CB-CB 4.18Å; N445-A448 VanDerWaalsContact O-CB 3.23Å; N445-A448 WeakPolarHBondContact O-CB 3.17Å; N445-A448 PolarHBondContact O-N 2.87Å; N445-A448 PolarHBondContact OD1-N 2.88Å; N445-R510 PolarHBondContact ND2-O 2.78Å; N445-N511 PolarHBondContact ND2-O 3.38Å
446K83.5Confident83.1Confident208 Ų20873.4 Ų73.490%0.90436%0.363SS*.THydrogen-bonded Turntrans-59.6-22.9179.9-65.6-177.6-179.7178.30113.9
447L84.9Confident84.1Confident35 Ų3568.1 Ų68.118%0.18334%0.338CS..THydrogen-bonded Turntrans-98.410.2179.5-64.1174.8000111.6N445 R510 V515 M527N445-L447 PolarHBondContact O-N 2.8Å; N445-L447 VanDerWaalsContact O-N 3.08Å; N445-L447 PolarHBondContact OD1-N 3.39Å; L447-R510 VanDerWaalsContact O-CZ 3.25Å; L447-R510 PolarHBondContact O-NE 3.25Å; L447-R510 PolarHBondContact O-NH2 2.84Å; L447-V515 HydrophobicContact CB-CG1 4.2Å; L447-V515 HydrophobicContact CB-CG2 4.01Å; L447-V515 HydrophobicContact CD1-CB 4.36Å; L447-V515 HydrophobicContact CD1-CG1 4.09Å; L447-V515 HydrophobicContact CD1-CG2 4.31Å; L447-M527 HydrophobicContact CD1-CG 4.3Å
448A85.3Confident84.7Confident21 Ų2170.9 Ų70.917%0.17435%0.352CS..  trans-59.2152.7175.200000112.1F442 N445 P450 R510 N511F442-A448 HydrophobicContact CB-CB 3.87Å; N445-A448 HydrophobicContact CB-CB 4.18Å; N445-A448 VanDerWaalsContact O-CB 3.23Å; N445-A448 WeakPolarHBondContact O-CB 3.17Å; N445-A448 PolarHBondContact O-N 2.87Å; N445-A448 PolarHBondContact OD1-N 2.88Å; A448-P450 WeakPolarHBondContact O-CD 3.22Å; A448-R510 PolarHBondContact O-NH2 3.1Å; A448-N511 WeakPolarHBondContact CB-OD1 3.43Å
449D84.5Confident85.2Confident37 Ų3763.8 Ų63.820%0.19832%0.319CS..  trans-85.1117.7172.1-173.4-23.3000108.7K451 F452 T507 N511D449-K451 PolarHBondContact O-N 3.46Å; D449-K451 VanDerWaalsContact O-N 3.08Å; D449-K451 WeakPolarHBondContact OD1-CB 3.44Å; D449-K451 PolarHBondContact OD1-N 2.91Å; D449-F452 HydrophobicContact CB-CB 4.24Å; D449-F452 WeakPolarHBondContact O-CB 3.49Å; D449-F452 PolarHBondContact O-N 2.8Å; D449-T507 HydrophobicContact CB-CG2 4.14Å; D449-N511 PolarHBondContact N-OD1 2.78Å; D449-N511 PolarHBondContact O-OD1 3.26Å
450P82.4Confident85.4Confident123 Ų12359.2 Ų59.280%0.79930%0.3SS*.THydrogen-bonded Turntrans-64.1-14.1-179.126.6-34.9000113.9A448A448-P450 WeakPolarHBondContact O-CD 3.22Å
451K83.3Confident85.5Confident178 Ų17863.7 Ų63.777%0.77432%0.32SS*.THydrogen-bonded Turntrans-89.8-9177.1-61.5174.8-178.3172.40113.2D449D449-K451 PolarHBondContact O-N 3.46Å; D449-K451 VanDerWaalsContact O-N 3.08Å; D449-K451 WeakPolarHBondContact OD1-CB 3.44Å; D449-K451 PolarHBondContact OD1-N 2.91Å
452F86Confident85.7Confident26 Ų2659.5 Ų59.511%0.11430%0.298CS..  trans-78.3125.2-178.4-177.8-102.4000110.9F410 F442 D449 F454 T507 A508 N511 F512F410-F452 HydrophobicContact CB-CE2 4.31Å; F410-F452 HydrophobicContact CD1-CZ 4.37Å; F442-F452 HydrophobicContact CD2-CD1 4.32Å; F442-F452 AromaticContact CE2-CD1 3.73Å; F442-F452 HydrophobicContact CE2-CD1 3.73Å; F442-F452 AromaticContact CE2-CE1 3.88Å; F442-F452 HydrophobicContact CE2-CE1 3.88Å; F442-F452 AromaticContact CZ-CD1 3.98Å; F442-F452 HydrophobicContact CZ-CD1 3.98Å; F442-F452 AromaticContact CZ-CE1 3.71Å; F442-F452 HydrophobicContact CZ-CE1 3.71Å; D449-F452 HydrophobicContact CB-CB 4.24Å; D449-F452 WeakPolarHBondContact O-CB 3.49Å; D449-F452 PolarHBondContact O-N 2.8Å; F452-F454 HydrophobicContact CD1-CB 4.47Å; F452-F454 HydrophobicContact CE1-CB 3.74Å; F452-F454 HydrophobicContact CE1-CG 4.47Å; F452-F454 HydrophobicContact CZ-CB 4.23Å; F452-T507 HydrophobicContact CD2-CG2 4.18Å; F452-A508 HydrophobicContact CE2-CB 4.04Å; F452-A508 HydrophobicContact CZ-CB 4.15Å; F452-N511 WeakPolarHBondContact CB-ND2 3.41Å; F452-N511 HydrophobicContact CD1-CB 3.5Å; F452-N511 VanDerWaalsContact CD1-CB 3.5Å; F452-N511 HydrophobicContact CE1-CB 3.76Å; F452-N511 HydrophobicContact CG-CB 4.05Å; F452-N511 VanDerWaalsContact CG-CG 3.48Å; F452-N511 WeakPolarHBondContact CG-ND2 3.36Å; F452-F512 HydrophobicContact CE1-CE2 4.12Å; F452-F512 HydrophobicContact CZ-CE2 4.02Å
453D84.1Confident85.9Confident68 Ų6858.6 Ų58.636%0.36429%0.294SS..  trans-114.7123.6-178.1-72.7-21.8000110K439K439-D453 WeakPolarHBondContact CD-OD1 3.17Å; K439-D453 VanDerWaalsContact CE-OD1 3.27Å; K439-D453 WeakPolarHBondContact CE-OD1 3.45Å; K439-D453 WeakPolarHBondContact CE-OD2 3.48Å; K439-D453 IonicContact NZ-OD1 3.48Å; K439-D453 PolarHBondContact NZ-OD1 3.33Å; K439-D453 IonicContact NZ-OD2 3.13Å; K439-D453 PolarHBondContact NZ-OD2 2.9Å
454F86.9Confident86Confident7 Ų761.8 Ų61.83%0.03129%0.293CS..  trans-143.1149.2173.5-162.4-108.2000109.8F410 N411 V440 F442 F452 D456 L459 F512F410-F454 HydrophobicContact CD1-CD2 4.49Å; F410-F454 HydrophobicContact CD1-CE2 4.27Å; F410-F454 HydrophobicContact CE1-CE2 4.03Å; N411-F454 WeakPolarHBondContact O-CE2 3.42Å; V440-F454 WeakPolarHBondContact CB-O 3.36Å; V440-F454 HydrophobicContact CG2-CD1 4.31Å; V440-F454 WeakPolarHBondContact CG2-O 3.28Å; V440-F454 PolarHBondContact N-O 2.79Å; F442-F454 HydrophobicContact CE2-CB 4.03Å; F442-F454 HydrophobicContact CZ-CB 4.03Å; F452-F454 HydrophobicContact CD1-CB 4.47Å; F452-F454 HydrophobicContact CE1-CB 3.74Å; F452-F454 HydrophobicContact CE1-CG 4.47Å; F452-F454 HydrophobicContact CZ-CB 4.23Å; F454-D456 HydrophobicContact CD1-CB 4.45Å; F454-D456 HydrophobicContact CE1-CB 3.65Å; F454-D456 VanDerWaalsContact CE1-O 3.25Å; F454-D456 WeakPolarHBondContact CE1-O 3.42Å; F454-D456 HydrophobicContact CZ-CB 4.01Å; F454-L459 HydrophobicContact CE1-CB 4Å; F454-L459 HydrophobicContact CE1-CD2 3.8Å; F454-L459 HydrophobicContact CE1-CG 4.47Å; F454-L459 HydrophobicContact CZ-CB 4.47Å; F454-L459 HydrophobicContact CZ-CD2 3.64Å; F454-F512 HydrophobicContact CD1-CE1 4.34Å; F454-F512 AromaticContact CD1-CZ 3.75Å; F454-F512 HydrophobicContact CD1-CZ 3.75Å; F454-F512 HydrophobicContact CD2-CZ 4.49Å; F454-F512 HydrophobicContact CE1-CE1 4.39Å; F454-F512 AromaticContact CE1-CZ 3.85Å; F454-F512 HydrophobicContact CE1-CZ 3.85Å; F454-F512 HydrophobicContact CG-CZ 4.09Å; F454-F512 HydrophobicContact CZ-CZ 4.29Å
455H85.2Confident86.1Confident32 Ų3265.4 Ų65.415%0.14831%0.314CS..  trans-119.4-22.2-169.3-65-76.8000114.4L423 I433 Q438 Y457L423-H455 HydrophobicContact CD1-CB 4.23Å; I433-H455 HydrophobicContact CD1-CB 4.17Å; I433-H455 WeakPolarHBondContact CG2-CD2 3.33Å; I433-H455 VanDerWaalsContact CG2-NE2 3.34Å; I433-H455 WeakPolarHBondContact CG2-NE2 3.35Å; Q438-H455 PolarHBondContact O-ND1 3.17Å; H455-Y457 PolarHBondContact O-N 2.93Å
456D86.2Confident86.1Confident5 Ų566 Ų663%0.02733%0.325CS..  trans-86.5108.8-177.9179.210.6000111.4Y420 G421 F454 N458Y420-D456 WeakPolarHBondContact CA-OD2 3.3Å; G421-D456 PolarHBondContact N-OD2 3.32Å; F454-D456 HydrophobicContact CD1-CB 4.45Å; F454-D456 HydrophobicContact CE1-CB 3.65Å; F454-D456 VanDerWaalsContact CE1-O 3.25Å; F454-D456 WeakPolarHBondContact CE1-O 3.42Å; F454-D456 HydrophobicContact CZ-CB 4.01Å; D456-N458 VanDerWaalsContact C-N 3.3Å; D456-N458 PolarHBondContact O-N 3.18Å; D456-N458 VanDerWaalsContact OD1-CB 3.27Å; D456-N458 WeakPolarHBondContact OD1-CB 3.31Å; D456-N458 PolarHBondContact OD1-N 3.04Å; D456-N458 PolarHBondContact OD1-ND2 3.28Å
457Y86.3Confident86.5Confident87 Ų8758.5 Ų58.534%0.34130%0.295SS..Hα-helixtrans-67.6-28.2178.4-68-84.7000113Q438 K439 V440 H455 L459 V460 E461Q438-Y457 WeakPolarHBondContact CG-OH 3.47Å; K439-Y457 PolarHBondContact O-OH 3.13Å; V440-Y457 HydrophobicContact CB-CD1 4.48Å; V440-Y457 HydrophobicContact CB-CE1 4.3Å; V440-Y457 HydrophobicContact CG1-CD1 4.44Å; V440-Y457 HydrophobicContact CG2-CD1 3.92Å; V440-Y457 HydrophobicContact CG2-CD2 4.41Å; V440-Y457 HydrophobicContact CG2-CE1 4.01Å; V440-Y457 HydrophobicContact CG2-CE2 4.49Å; V440-Y457 HydrophobicContact CG2-CG 4.12Å; H455-Y457 PolarHBondContact O-N 2.93Å; Y457-L459 VanDerWaalsContact C-N 3.26Å; Y457-L459 PolarHBondContact O-N 3.41Å; Y457-V460 PolarHBondContact O-N 3.07Å; Y457-E461 PolarHBondContact O-N 2.9Å; Y457-E461 VanDerWaalsContact O-N 3.11Å
458N88.3Confident86.7Confident87 Ų8760.8 Ų60.847%0.46531%0.311SS..Hα-helixtrans-63.6-33.5-174.3-59.7-65.3000112.2D456 T462D456-N458 VanDerWaalsContact C-N 3.3Å; D456-N458 PolarHBondContact O-N 3.18Å; D456-N458 VanDerWaalsContact OD1-CB 3.27Å; D456-N458 WeakPolarHBondContact OD1-CB 3.31Å; D456-N458 PolarHBondContact OD1-N 3.04Å; D456-N458 PolarHBondContact OD1-ND2 3.28Å; N458-T462 WeakPolarHBondContact O-CB 3.24Å; N458-T462 PolarHBondContact O-N 3.44Å; N458-T462 PolarHBondContact O-OG1 3.37Å
459L89.5Confident87Confident0 Ų063 Ų630%032%0.318CS..Hα-helixtrans-68.7-43.1179.3-177.356.3000111.4I415 Y420 F454 Y457 E461 T462 V463 F474 F512I415-L459 HydrophobicContact CD1-CD1 3.8Å; Y420-L459 HydrophobicContact CD1-CB 3.73Å; Y420-L459 HydrophobicContact CD1-CD1 3.94Å; Y420-L459 HydrophobicContact CD1-CG 4.36Å; Y420-L459 HydrophobicContact CD2-CD1 4.05Å; Y420-L459 HydrophobicContact CE1-CB 4.35Å; Y420-L459 HydrophobicContact CE1-CD1 4.18Å; Y420-L459 HydrophobicContact CE2-CD1 4.32Å; Y420-L459 HydrophobicContact CG-CB 4.17Å; Y420-L459 HydrophobicContact CG-CD1 3.85Å; Y420-L459 HydrophobicContact CG-CG 4.4Å; F454-L459 HydrophobicContact CE1-CB 4Å; F454-L459 HydrophobicContact CE1-CD2 3.8Å; F454-L459 HydrophobicContact CE1-CG 4.47Å; F454-L459 HydrophobicContact CZ-CB 4.47Å; F454-L459 HydrophobicContact CZ-CD2 3.64Å; Y457-L459 VanDerWaalsContact C-N 3.26Å; Y457-L459 PolarHBondContact O-N 3.41Å; L459-E461 VanDerWaalsContact C-N 3.35Å; L459-T462 PolarHBondContact O-N 2.8Å; L459-V463 HydrophobicContact CD1-CG2 4.36Å; L459-V463 VanDerWaalsContact O-CG2 3.29Å; L459-V463 WeakPolarHBondContact O-CG2 3.4Å; L459-V463 PolarHBondContact O-N 3.06Å; L459-F474 HydrophobicContact CD1-CE2 4.19Å; L459-F474 HydrophobicContact CD1-CZ 4.47Å; L459-F474 HydrophobicContact CD2-CZ 4.13Å; L459-F474 HydrophobicContact CG-CE2 4.49Å; L459-F474 HydrophobicContact CG-CZ 4.45Å; L459-F512 HydrophobicContact CB-CE1 4.31Å; L459-F512 HydrophobicContact CD2-CE1 3.81Å; L459-F512 HydrophobicContact CD2-CE2 4.28Å; L459-F512 HydrophobicContact CD2-CZ 3.61Å; L459-F512 HydrophobicContact CG-CD1 4.41Å; L459-F512 HydrophobicContact CG-CE1 3.76Å; L459-F512 HydrophobicContact CG-CZ 4.12Å
460V87Confident87.4Confident9 Ų961.2 Ų61.26%0.05531%0.309CS..Hα-helixtrans-63.3-43.8176.9172.40000110.7V440 F442 W444 Y457 V463 R464 F512V440-V460 HydrophobicContact CG1-CB 4.36Å; V440-V460 HydrophobicContact CG1-CG2 3.57Å; F442-V460 HydrophobicContact CE1-CG2 3.83Å; F442-V460 HydrophobicContact CZ-CG2 4.15Å; W444-V460 HydrophobicContact CZ2-CG1 4.37Å; Y457-V460 PolarHBondContact O-N 3.07Å; V460-V463 PolarHBondContact O-N 3.1Å; V460-R464 HydrophobicContact CG1-CG 4.28Å; V460-R464 WeakPolarHBondContact O-CB 3.29Å; V460-R464 VanDerWaalsContact O-CG 3.25Å; V460-R464 WeakPolarHBondContact O-CG 3.42Å; V460-R464 PolarHBondContact O-N 3.22Å; V460-F512 HydrophobicContact CG2-CD1 3.9Å; V460-F512 HydrophobicContact CG2-CE1 3.5Å
461E86.8Confident87.8Confident106 Ų10657.8 Ų57.850%0.49528%0.282SS..Hα-helixtrans-60.8-47.9176-70.2-174.8163.600111.3Y457 L459 V463 R464 E465Y457-E461 PolarHBondContact O-N 2.9Å; Y457-E461 VanDerWaalsContact O-N 3.11Å; L459-E461 VanDerWaalsContact C-N 3.35Å; E461-V463 VanDerWaalsContact C-N 3.29Å; E461-V463 PolarHBondContact O-N 2.98Å; E461-R464 PolarHBondContact O-N 2.9Å; E461-E465 WeakPolarHBondContact O-CB 3.26Å; E461-E465 WeakPolarHBondContact O-CG 3.45Å; E461-E465 PolarHBondContact O-N 3.12Å
462T89.5Confident88.3Confident15 Ų1550 Ų509%0.09225%0.251CS..Hα-helixtrans-58.3-39.5179.4-55.70000112.3N458 L459 N467 A470N458-T462 WeakPolarHBondContact O-CB 3.24Å; N458-T462 PolarHBondContact O-N 3.44Å; N458-T462 PolarHBondContact O-OG1 3.37Å; L459-T462 PolarHBondContact O-N 2.8Å; T462-N467 HydrophobicContact CG2-CB 3.73Å; T462-N467 WeakPolarHBondContact O-CB 3.35Å; T462-N467 PolarHBondContact O-N 3.4Å; T462-A470 HydrophobicContact CG2-CB 4.24Å
463V88.9Confident88.8Confident1 Ų148.8 Ų48.81%0.00625%0.246CC..Hα-helixtrans-70.4-40.4176.9175.60000111.2L459 V460 E461 G466 A470 F474 F514 M529L459-V463 HydrophobicContact CD1-CG2 4.36Å; L459-V463 VanDerWaalsContact O-CG2 3.29Å; L459-V463 WeakPolarHBondContact O-CG2 3.4Å; L459-V463 PolarHBondContact O-N 3.06Å; V460-V463 PolarHBondContact O-N 3.1Å; E461-V463 VanDerWaalsContact C-N 3.29Å; E461-V463 PolarHBondContact O-N 2.98Å; V463-G466 PolarHBondContact O-N 3.11Å; V463-A470 HydrophobicContact CG2-CB 4.14Å; V463-F474 HydrophobicContact CG2-CD2 3.78Å; V463-F474 HydrophobicContact CG2-CE2 3.52Å; V463-F514 HydrophobicContact CG1-CE2 4.19Å; V463-M529 HydrophobicContact CG1-SD 4.26Å
464R86.2Confident89.3Confident152 Ų15245.6 Ų45.657%0.57423%0.228SC*.Hα-helixtrans-70.6-31.8179.6-73.718068.9-167.80.5113.4V460 E461 G466 M529V460-R464 HydrophobicContact CG1-CG 4.28Å; V460-R464 WeakPolarHBondContact O-CB 3.29Å; V460-R464 VanDerWaalsContact O-CG 3.25Å; V460-R464 WeakPolarHBondContact O-CG 3.42Å; V460-R464 PolarHBondContact O-N 3.22Å; E461-R464 PolarHBondContact O-N 2.9Å; R464-G466 PolarHBondContact O-N 2.78Å; R464-M529 HydrophobicContact CG-CE 4.4Å
465E88.1Confident89.7Confident156 Ų15647.8 Ų47.873%0.72924%0.237SC*.THydrogen-bonded Turntrans-68-10173.4-74.6177.9173.100113E461E461-E465 WeakPolarHBondContact O-CB 3.26Å; E461-E465 WeakPolarHBondContact O-CG 3.45Å; E461-E465 PolarHBondContact O-N 3.12Å
466G85.6Confident90.2Very high34 Ų3446.3 Ų46.335%0.35123%0.23SC..THydrogen-bonded Turntrans82.628.3176.900000114V463 R464V463-G466 PolarHBondContact O-N 3.11Å; R464-G466 PolarHBondContact O-N 2.78Å
467N91.5Very high90.6Very high50 Ų5046.1 Ų46.127%0.26723%0.229SC..  trans-58.9122175.5175-90.1000110.6T462 E469 A470 Q471T462-N467 HydrophobicContact CG2-CB 3.73Å; T462-N467 WeakPolarHBondContact O-CB 3.35Å; T462-N467 PolarHBondContact O-N 3.4Å; N467-E469 PolarHBondContact ND2-OE2 3.02Å; N467-E469 PolarHBondContact O-N 3.35Å; N467-E469 PolarHBondContact OD1-N 3.25Å; N467-E469 PolarHBondContact OD1-OE2 3.3Å; N467-E469 VanDerWaalsContact OD1-OE2 3.13Å; N467-A470 HydrophobicContact CB-CB 4.11Å; N467-A470 PolarHBondContact O-N 3.03Å; N467-A470 WeakPolarHBondContact OD1-CB 3.1Å; N467-A470 PolarHBondContact OD1-N 3.4Å; N467-Q471 WeakPolarHBondContact O-CG 3.47Å; N467-Q471 PolarHBondContact O-N 2.81Å
468P89.4Confident91Very high82 Ų8242 Ų4253%0.53221%0.213SC..Hα-helixtrans-66.7-34.8-170.823.8-31.9000112.8A472P468-A472 VanDerWaalsContact O-CB 3.3Å; P468-A472 WeakPolarHBondContact O-CB 3.16Å; P468-A472 PolarHBondContact O-N 3.19Å
469E91.3Very high91.3Very high68 Ų6837.9 Ų37.932%0.31819%0.19SC..Hα-helixtrans-69.9-40.5178.2-60.181.2-169.700112.1I415 N416 N467 A472 F473I415-E469 HydrophobicContact CG2-CB 4.39Å; N416-E469 HydrophobicContact CB-CB 4.16Å; N416-E469 HydrophobicContact CB-CG 4.23Å; N467-E469 PolarHBondContact ND2-OE2 3.02Å; N467-E469 PolarHBondContact O-N 3.35Å; N467-E469 PolarHBondContact OD1-N 3.25Å; N467-E469 PolarHBondContact OD1-OE2 3.3Å; N467-E469 VanDerWaalsContact OD1-OE2 3.13Å; E469-A472 PolarHBondContact O-N 3.08Å; E469-F473 WeakPolarHBondContact O-CB 3.4Å; E469-F473 PolarHBondContact O-N 2.9Å
470A91.9Very high91.5Very high0 Ų037.9 Ų37.90%019%0.19CC..Hα-helixtrans-67.3-40.6176.600000112I415 T462 V463 N467 F473 F474I415-A470 HydrophobicContact CD1-CB 4.43Å; I415-A470 HydrophobicContact CG2-CB 4.46Å; T462-A470 HydrophobicContact CG2-CB 4.24Å; V463-A470 HydrophobicContact CG2-CB 4.14Å; N467-A470 HydrophobicContact CB-CB 4.11Å; N467-A470 PolarHBondContact O-N 3.03Å; N467-A470 WeakPolarHBondContact OD1-CB 3.1Å; N467-A470 PolarHBondContact OD1-N 3.4Å; A470-F473 WeakPolarHBondContact O-CB 3.46Å; A470-F473 PolarHBondContact O-N 3.32Å; A470-F474 WeakPolarHBondContact O-CD2 3.25Å; A470-F474 PolarHBondContact O-N 3.38Å; A470-F474 VanDerWaalsContact O-N 3.14Å
471Q92.8Very high91.7Very high50 Ų5037.5 Ų37.523%0.23419%0.188CC..Hα-helixtrans-65.4-42.9173.9-69.9-171-14.500111.8N467 F473 F474 R475 F514N467-Q471 WeakPolarHBondContact O-CG 3.47Å; N467-Q471 PolarHBondContact O-N 2.81Å; Q471-F473 VanDerWaalsContact C-N 3.29Å; Q471-F473 PolarHBondContact O-N 2.82Å; Q471-F474 PolarHBondContact O-N 2.69Å; Q471-R475 WeakPolarHBondContact O-CB 3.42Å; Q471-R475 PolarHBondContact O-N 3.36Å; Q471-F514 HydrophobicContact CB-CZ 3.79Å; Q471-F514 HydrophobicContact CG-CZ 3.91Å
472A92.6Very high91.6Very high16 Ų1632.5 Ų32.513%0.13217%0.165CC..Hα-helixtrans-61.9-37.4175.100000112.3P468 E469 L476 L649P468-A472 VanDerWaalsContact O-CB 3.3Å; P468-A472 WeakPolarHBondContact O-CB 3.16Å; P468-A472 PolarHBondContact O-N 3.19Å; E469-A472 PolarHBondContact O-N 3.08Å; A472-L476 WeakPolarHBondContact O-CB 3.09Å; A472-L476 PolarHBondContact O-N 3.09Å; A472-L649 HydrophobicContact CB-CD2 3.85Å
473F95.8Very high91.4Very high0 Ų031.8 Ų31.80%016%0.161CC..Hα-helixtrans-60.5-52.5175.5-178-84.8000112.2C413 I415 E469 A470 Q471 L476 L477 L604 T652C413-F473 HydrophobicContact CB-CE1 4.19Å; C413-F473 HydrophobicContact CB-CZ 3.71Å; I415-F473 HydrophobicContact CD1-CB 4.27Å; I415-F473 HydrophobicContact CD1-CD1 3.8Å; I415-F473 HydrophobicContact CD1-CD2 4.29Å; I415-F473 HydrophobicContact CD1-CE1 4.13Å; I415-F473 HydrophobicContact CD1-CG 3.88Å; I415-F473 HydrophobicContact CD1-CZ 4.49Å; I415-F473 HydrophobicContact CG1-CD1 4.18Å; I415-F473 HydrophobicContact CG1-CD2 3.82Å; I415-F473 HydrophobicContact CG1-CE1 4.3Å; I415-F473 HydrophobicContact CG1-CE2 3.93Å; I415-F473 HydrophobicContact CG1-CG 3.94Å; I415-F473 HydrophobicContact CG1-CZ 4.17Å; I415-F473 HydrophobicContact CG2-CB 4.27Å; I415-F473 HydrophobicContact CG2-CD2 4.43Å; I415-F473 HydrophobicContact CG2-CG 4.49Å; E469-F473 WeakPolarHBondContact O-CB 3.4Å; E469-F473 PolarHBondContact O-N 2.9Å; A470-F473 WeakPolarHBondContact O-CB 3.46Å; A470-F473 PolarHBondContact O-N 3.32Å; Q471-F473 VanDerWaalsContact C-N 3.29Å; Q471-F473 PolarHBondContact O-N 2.82Å; F473-L476 WeakPolarHBondContact O-CB 3.4Å; F473-L476 PolarHBondContact O-N 3.17Å; F473-L477 HydrophobicContact CD1-CD1 4.17Å; F473-L477 HydrophobicContact CE1-CD1 3.74Å; F473-L477 HydrophobicContact CZ-CD1 4.49Å; F473-L477 PolarHBondContact O-N 2.94Å; F473-L604 HydrophobicContact CD1-CD1 4.48Å; F473-L604 HydrophobicContact CD2-CD1 3.62Å; F473-L604 HydrophobicContact CE1-CD1 4.28Å; F473-L604 HydrophobicContact CE2-CD1 3.38Å; F473-L604 HydrophobicContact CE2-CG 4.25Å; F473-L604 HydrophobicContact CG-CD1 4.18Å; F473-L604 HydrophobicContact CZ-CD1 3.74Å; F473-T652 HydrophobicContact CE1-CG2 4.08Å; F473-T652 HydrophobicContact CE2-CG2 4.23Å; F473-T652 HydrophobicContact CZ-CG2 3.43Å; F473-T652 VanDerWaalsContact CZ-CG2 3.43Å
474F95.4Very high91.1Very high0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-72.7-31.7179.7-74.8-66.9000113.2I415 L459 V463 A470 Q471 L477 A478 A509 F512 F514I415-F474 HydrophobicContact CD1-CE2 4.42Å; L459-F474 HydrophobicContact CD1-CE2 4.19Å; L459-F474 HydrophobicContact CD1-CZ 4.47Å; L459-F474 HydrophobicContact CD2-CZ 4.13Å; L459-F474 HydrophobicContact CG-CE2 4.49Å; L459-F474 HydrophobicContact CG-CZ 4.45Å; V463-F474 HydrophobicContact CG2-CD2 3.78Å; V463-F474 HydrophobicContact CG2-CE2 3.52Å; A470-F474 WeakPolarHBondContact O-CD2 3.25Å; A470-F474 PolarHBondContact O-N 3.38Å; A470-F474 VanDerWaalsContact O-N 3.14Å; Q471-F474 PolarHBondContact O-N 2.69Å; F474-L477 HydrophobicContact CD1-CD1 4.15Å; F474-L477 HydrophobicContact CE1-CD1 4.44Å; F474-L477 PolarHBondContact O-N 3.07Å; F474-A478 WeakPolarHBondContact O-CB 3.29Å; F474-A478 PolarHBondContact O-N 3.39Å; F474-A509 HydrophobicContact CD1-CB 4.31Å; F474-F512 HydrophobicContact CD1-CB 4.1Å; F474-F512 HydrophobicContact CD1-CD2 4.15Å; F474-F512 HydrophobicContact CD1-CG 4.41Å; F474-F512 HydrophobicContact CD2-CB 4.12Å; F474-F512 HydrophobicContact CE1-CB 3.96Å; F474-F512 AromaticContact CE1-CD2 3.28Å; F474-F512 HydrophobicContact CE1-CD2 3.28Å; F474-F512 AromaticContact CE1-CE2 3.95Å; F474-F512 HydrophobicContact CE1-CE2 3.95Å; F474-F512 AromaticContact CE1-CG 3.78Å; F474-F512 HydrophobicContact CE1-CG 3.78Å; F474-F512 HydrophobicContact CE2-CB 4Å; F474-F512 HydrophobicContact CE2-CD1 4.3Å; F474-F512 HydrophobicContact CE2-CD2 4.2Å; F474-F512 AromaticContact CE2-CG 3.92Å; F474-F512 HydrophobicContact CE2-CG 3.92Å; F474-F512 HydrophobicContact CG-CB 4.17Å; F474-F512 HydrophobicContact CZ-CB 3.9Å; F474-F512 HydrophobicContact CZ-CD1 4.06Å; F474-F512 AromaticContact CZ-CD2 3.3Å; F474-F512 HydrophobicContact CZ-CD2 3.3Å; F474-F512 HydrophobicContact CZ-CE1 4.43Å; F474-F512 AromaticContact CZ-CE2 3.78Å; F474-F512 HydrophobicContact CZ-CE2 3.78Å; F474-F512 AromaticContact CZ-CG 3.49Å; F474-F512 HydrophobicContact CZ-CG 3.49Å; F474-F512 VanDerWaalsContact CZ-CG 3.49Å; F474-F512 HydrophobicContact CZ-CZ 4.33Å; F474-F514 HydrophobicContact CB-CB 4.37Å; F474-F514 HydrophobicContact CB-CD2 3.39Å; F474-F514 HydrophobicContact CB-CE2 3.76Å; F474-F514 HydrophobicContact CB-CG 3.87Å; F474-F514 HydrophobicContact CG-CD2 4.3Å
475R94.9Very high91Very high54 Ų5429 Ų2920%0.20416%0.158CC..Hα-helixtrans-60-44.3170.4-176.9-176.5-67135.22.5111.5Q471 L477 A478 L479 F514 E528 Y535 Y564Q471-R475 WeakPolarHBondContact O-CB 3.42Å; Q471-R475 PolarHBondContact O-N 3.36Å; R475-L477 VanDerWaalsContact C-N 3.33Å; R475-L477 PolarHBondContact O-N 3.13Å; R475-A478 PolarHBondContact O-N 3.33Å; R475-L479 HydrophobicContact CG-CD1 3.66Å; R475-L479 HydrophobicContact CG-CG 4.37Å; R475-L479 WeakPolarHBondContact O-CB 3.49Å; R475-L479 VanDerWaalsContact O-CG 3.29Å; R475-L479 WeakPolarHBondContact O-CG 3.23Å; R475-L479 PolarHBondContact O-N 2.81Å; R475-L479 VanDerWaalsContact O-N 3.09Å; R475-F514 HydrophobicContact CB-CD1 4.12Å; R475-F514 HydrophobicContact CB-CE1 4.05Å; R475-E528 IonicContact CZ-OE1 3.78Å; R475-E528 IonicContact CZ-OE2 3.44Å; R475-E528 IonicContact NE-OE1 2.69Å; R475-E528 PolarHBondContact NE-OE1 3.12Å; R475-E528 IonicContact NE-OE2 3.67Å; R475-E528 PolarHBondContact NE-OE2 3.28Å; R475-E528 IonicContact NH2-OE1 3.83Å; R475-E528 IonicContact NH2-OE2 2.75Å; R475-E528 PolarHBondContact NH2-OE2 2.99Å; R475-Y535 VanDerWaalsContact CD-OH 3.24Å; R475-Y535 WeakPolarHBondContact CD-OH 3.41Å; R475-Y535 PolarHBondContact NE-OH 3.41Å; R475-Y535 VanDerWaalsContact NE-OH 3.11Å; R475-Y564 WeakPolarHBondContact CD-OH 3.15Å
476L95.5Very high90.4Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-57.3-47.7174.3-175.2163.4000110.8A472 F473 A478 L479 C480 Y564 K566 L604 A605 L649A472-L476 WeakPolarHBondContact O-CB 3.09Å; A472-L476 PolarHBondContact O-N 3.09Å; F473-L476 WeakPolarHBondContact O-CB 3.4Å; F473-L476 PolarHBondContact O-N 3.17Å; L476-A478 VanDerWaalsContact C-N 3.27Å; L476-A478 PolarHBondContact O-N 2.92Å; L476-L479 PolarHBondContact O-N 3.24Å; L476-L479 VanDerWaalsContact O-N 3.17Å; L476-C480 HydrophobicContact CD2-CB 4.06Å; L476-C480 HydrophobicContact CG-CB 4.5Å; L476-C480 WeakPolarHBondContact O-CB 3.31Å; L476-C480 PolarHBondContact O-N 3.36Å; L476-Y564 HydrophobicContact CB-CD1 3.78Å; L476-Y564 HydrophobicContact CB-CE1 4.17Å; L476-Y564 HydrophobicContact CB-CG 4.37Å; L476-Y564 HydrophobicContact CD1-CD1 3.78Å; L476-Y564 HydrophobicContact CD1-CG 4.49Å; L476-Y564 HydrophobicContact CG-CD1 3.69Å; L476-Y564 HydrophobicContact CG-CG 4.07Å; L476-K566 HydrophobicContact CD2-CB 4.43Å; L476-L604 HydrophobicContact CD1-CB 3.97Å; L476-L604 HydrophobicContact CD2-CB 4.48Å; L476-L604 HydrophobicContact CD2-CD1 4.17Å; L476-L604 HydrophobicContact CD2-CD2 3.8Å; L476-L604 HydrophobicContact CD2-CG 4.37Å; L476-A605 WeakPolarHBondContact CD1-O 3.33Å; L476-L649 HydrophobicContact CD1-CD1 3.62Å
477L95.2Very high89.9Confident2 Ų226 Ų261%0.0113%0.134CC..Hα-helixtrans-62.3-32.2178.8-65.7-175.8000113.2F473 F474 R475 H481 L505 A509 L604 T652F473-L477 HydrophobicContact CD1-CD1 4.17Å; F473-L477 HydrophobicContact CE1-CD1 3.74Å; F473-L477 HydrophobicContact CZ-CD1 4.49Å; F473-L477 PolarHBondContact O-N 2.94Å; F474-L477 HydrophobicContact CD1-CD1 4.15Å; F474-L477 HydrophobicContact CE1-CD1 4.44Å; F474-L477 PolarHBondContact O-N 3.07Å; R475-L477 VanDerWaalsContact C-N 3.33Å; R475-L477 PolarHBondContact O-N 3.13Å; L477-H481 PolarHBondContact O-CD2 3.43Å; L477-L505 HydrophobicContact CD1-CD2 4.34Å; L477-L505 HydrophobicContact CD2-CB 4.25Å; L477-L505 HydrophobicContact CD2-CD1 4.27Å; L477-L505 HydrophobicContact CD2-CD2 4.15Å; L477-L505 HydrophobicContact CD2-CG 4.46Å; L477-A509 HydrophobicContact CB-CB 3.99Å; L477-L604 HydrophobicContact CD2-CD1 3.72Å; L477-L604 HydrophobicContact CD2-CD2 4.13Å; L477-L604 HydrophobicContact CG-CD1 4.12Å; L477-T652 HydrophobicContact CD1-CG2 4.13Å; L477-T652 HydrophobicContact CD2-CG2 4.11Å
478A95.1Very high88.7Confident0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-83.9-7.2177.300000114.8F474 R475 L476 H481 A509 F514 I526F474-A478 WeakPolarHBondContact O-CB 3.29Å; F474-A478 PolarHBondContact O-N 3.39Å; R475-A478 PolarHBondContact O-N 3.33Å; L476-A478 VanDerWaalsContact C-N 3.27Å; L476-A478 PolarHBondContact O-N 2.92Å; A478-H481 VanDerWaalsContact C-CD2 3.48Å; A478-H481 PolarHBondContact O-NE2 2.84Å; A478-A509 HydrophobicContact CB-CB 4.1Å; A478-F514 HydrophobicContact CB-CB 4.01Å; A478-I526 HydrophobicContact CB-CD1 4.41Å
479L94.1Very high87.9Confident0 Ų033.3 Ų33.30%016%0.155CC..Hα-helixtrans-115.9-45.6-178.9-67.3175.6000112.5R475 L476 H481 I524 I526 Y535 V554 Y564R475-L479 HydrophobicContact CG-CD1 3.66Å; R475-L479 HydrophobicContact CG-CG 4.37Å; R475-L479 WeakPolarHBondContact O-CB 3.49Å; R475-L479 VanDerWaalsContact O-CG 3.29Å; R475-L479 WeakPolarHBondContact O-CG 3.23Å; R475-L479 PolarHBondContact O-N 2.81Å; R475-L479 VanDerWaalsContact O-N 3.09Å; L476-L479 PolarHBondContact O-N 3.24Å; L476-L479 VanDerWaalsContact O-N 3.17Å; L479-H481 PolarHBondContact O-N 2.92Å; L479-H481 VanDerWaalsContact O-N 3.07Å; L479-I524 HydrophobicContact CD2-CB 4.18Å; L479-I524 HydrophobicContact CD2-CG2 3.75Å; L479-I526 HydrophobicContact CD2-CD1 4.1Å; L479-I526 HydrophobicContact CD2-CG2 4.11Å; L479-I526 HydrophobicContact CG-CD1 4.34Å; L479-Y535 HydrophobicContact CD1-CD1 4.09Å; L479-Y535 HydrophobicContact CD1-CD2 4.27Å; L479-Y535 HydrophobicContact CD1-CE1 4.04Å; L479-Y535 HydrophobicContact CD1-CE2 4.22Å; L479-Y535 HydrophobicContact CD1-CG 4.21Å; L479-Y535 HydrophobicContact CD2-CD2 3.73Å; L479-Y535 HydrophobicContact CD2-CE2 4.23Å; L479-Y535 HydrophobicContact CD2-CG 3.97Å; L479-V554 HydrophobicContact CD1-CG2 4.23Å; L479-Y564 HydrophobicContact CB-CD2 4.49Å; L479-Y564 HydrophobicContact CD1-CD2 4.14Å; L479-Y564 HydrophobicContact CD1-CE2 3.67Å
480C93.4Very high86.6Confident0 Ų039.1 Ų39.10%018%0.183CC..SBendtrans-85.774.5-175.5-173.50000111.1L476 V552 K566L476-C480 HydrophobicContact CD2-CB 4.06Å; L476-C480 HydrophobicContact CG-CB 4.5Å; L476-C480 WeakPolarHBondContact O-CB 3.31Å; L476-C480 PolarHBondContact O-N 3.36Å; C480-V552 HydrophobicContact CB-CB 4.42Å; C480-V552 HydrophobicContact CB-CG2 4.25Å; C480-K566 WeakPolarHBondContact O-CD 3.46Å; C480-K566 WeakPolarHBondContact O-CE 3.36Å; C480-K566 PolarHBondContact O-NZ 2.75Å
481H91.1Very high85.4Confident1 Ų141 Ų411%0.00520%0.202CC..SBendtrans-159169.5177.762.978.5000112L477 A478 L479 V483 V506 F516 R519L477-H481 PolarHBondContact O-CD2 3.43Å; A478-H481 VanDerWaalsContact C-CD2 3.48Å; A478-H481 PolarHBondContact O-NE2 2.84Å; L479-H481 PolarHBondContact O-N 2.92Å; L479-H481 VanDerWaalsContact O-N 3.07Å; H481-V483 HydrophobicContact CB-CG2 4.16Å; H481-V483 WeakPolarHBondContact ND1-CB 3.39Å; H481-V483 PolarHBondContact ND1-N 3.19Å; H481-V483 VanDerWaalsContact ND1-N 3.2Å; H481-V506 HydrophobicContact CB-CG2 3.89Å; H481-V506 VanDerWaalsContact CD2-CG2 3.45Å; H481-V506 WeakPolarHBondContact CD2-CG2 3.42Å; H481-F516 AromaticContact CE1-CD1 3.54Å; H481-F516 AromaticContact CE1-CE1 3.59Å; H481-F516 AromaticContact CE1-CG 3.77Å; H481-F516 AromaticContact CE1-CZ 3.9Å; H481-F516 AromaticContact NE2-CG 3.86Å; H481-R519 PolarHBondContact CE1-NH2 3.2Å; H481-R519 VanDerWaalsContact CE1-NH2 3.29Å; H481-R519 PolarHBondContact ND1-NH2 3.23Å; H481-R519 VanDerWaalsContact O-CZ 3.22Å; H481-R519 PolarHBondContact O-NH1 2.8Å; H481-R519 PolarHBondContact O-NH2 3.35Å
482T86Confident84.6Confident2 Ų243.8 Ų43.81%0.01222%0.215CC..  trans-106.91.5172.859.90000113.8E502 M550 H1139T482-E502 PolarHBondContact N-OE2 3.11Å; T482-E502 PolarHBondContact OG1-OE2 2.98Å; T482-M550 HydrophobicContact CG2-CE 3.55Å; T482-H1139 PolarHBondContact OG1-NE2 3.1Å; T482-H1139 VanDerWaalsContact OG1-NE2 3.08Å
483V85.1Confident84.1Confident0 Ų043.2 Ų43.20%021%0.209CC..  trans-51.4139.1177.6-175.60000112.8H481 Y495 Q496 A497 E502 V506 F516H481-V483 HydrophobicContact CB-CG2 4.16Å; H481-V483 WeakPolarHBondContact ND1-CB 3.39Å; H481-V483 PolarHBondContact ND1-N 3.19Å; H481-V483 VanDerWaalsContact ND1-N 3.2Å; V483-Y495 HydrophobicContact CG1-CD1 3.98Å; V483-Y495 HydrophobicContact CG1-CG 3.98Å; V483-Q496 CarbonylContact C-O 3.57Å; V483-Q496 WeakPolarHBondContact CA-O 3.25Å; V483-Q496 WeakPolarHBondContact CG1-O 3.39Å; V483-A497 HydrophobicContact CB-CB 4.46Å; V483-A497 HydrophobicContact CG1-CB 4.38Å; V483-A497 HydrophobicContact CG2-CB 3.64Å; V483-E502 HydrophobicContact CG2-CB 3.92Å; V483-V506 HydrophobicContact CB-CG2 4.2Å; V483-V506 HydrophobicContact CG1-CG1 4.49Å; V483-V506 HydrophobicContact CG2-CB 4.29Å; V483-V506 HydrophobicContact CG2-CG2 3.67Å; V483-F516 WeakPolarHBondContact O-CE1 3.28Å
484M81.7Confident83.5Confident64 Ų6447.3 Ų47.332%0.31523%0.231SC..EExtended strand (participates in β ladder)trans-108.7134.8175.6-64.7-63.8-78.900110.6Q496M484-Q496 PolarHBondContact N-O 3.05Å; M484-Q496 PolarHBondContact O-N 2.92Å
485P84.1Confident83Confident31 Ų3148.9 Ų48.920%0.20124%0.237CC..EExtended strand (participates in β ladder)trans-90.313417732.1-20.9000110.5L493 Y495 F516 R517P485-L493 HydrophobicContact CB-CD1 3.86Å; P485-Y495 HydrophobicContact CB-CD1 4.27Å; P485-Y495 HydrophobicContact CB-CE1 4.14Å; P485-F516 HydrophobicContact CB-CD1 4.2Å; P485-F516 HydrophobicContact CB-CE1 3.96Å; P485-F516 HydrophobicContact CG-CD1 4.14Å; P485-F516 HydrophobicContact CG-CE1 3.5Å; P485-F516 VanDerWaalsContact CG-CE1 3.5Å; P485-F516 HydrophobicContact CG-CZ 3.73Å; P485-R517 WeakPolarHBondContact CB-O 3.12Å; P485-R517 WeakPolarHBondContact CG-O 3.33Å
486E76.3Confident82.1Confident55 Ų5549 Ų4926%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-119.1120.3171.9-169.6-171-174.600109K488 N494 Q496E486-K488 VanDerWaalsContact CD-CE 3.48Å; E486-K488 HydrophobicContact CG-CG 4.36Å; E486-K488 WeakPolarHBondContact OE1-CE 3.44Å; E486-K488 IonicContact OE1-NZ 2.88Å; E486-N494 PolarHBondContact N-O 2.81Å; E486-N494 PolarHBondContact O-N 2.86Å; E486-Q496 PolarHBondContact OE2-NE2 2.66Å
487E74.9Confident81.2Confident71 Ų7150.4 Ų50.433%0.33225%0.252SS..EExtended strand (participates in β ladder)trans-117.799.2176.4-169.4167.4-156.300108.3K489 G491 L493 R517E487-K489 VanDerWaalsContact CG-O 3.24Å; E487-K489 WeakPolarHBondContact CG-O 3.46Å; E487-G491 PolarHBondContact OE1-N 3.1Å; E487-G491 VanDerWaalsContact OE1-N 3.08Å; E487-L493 HydrophobicContact CB-CD1 4.37Å; E487-R517 VanDerWaalsContact CD-NH1 3.26Å; E487-R517 IonicContact OE1-CZ 2.66Å; E487-R517 IonicContact OE1-NH1 2.73Å; E487-R517 PolarHBondContact OE1-NH1 3.34Å; E487-R517 IonicContact OE1-NH2 2.79Å; E487-R517 IonicContact OE2-CZ 2.78Å; E487-R517 IonicContact OE2-NH1 3.68Å; E487-R517 PolarHBondContact OE2-NH1 3.04Å; E487-R517 IonicContact OE2-NH2 3.08Å; E487-R517 PolarHBondContact OE2-NH2 3.25Å
488K67.1Low79.9Confident144 Ų14451.7 Ų51.763%0.62626%0.258SS*.SBendtrans-77.4-36.2179.9-68.8-175.2-179.4179.80111.9E486E486-K488 VanDerWaalsContact CD-CE 3.48Å; E486-K488 HydrophobicContact CG-CG 4.36Å; E486-K488 WeakPolarHBondContact OE1-CE 3.44Å; E486-K488 IonicContact OE1-NZ 2.88Å
489K70.8Confident79Confident141 Ų14151.7 Ų51.761%0.61326%0.258SS*.SBendtrans-136.2151.1175.3-65.1179.1-176170.50108E487 G491 E492E487-K489 VanDerWaalsContact CG-O 3.24Å; E487-K489 WeakPolarHBondContact CG-O 3.46Å; K489-G491 PolarHBondContact O-N 3.46Å; K489-G491 VanDerWaalsContact O-N 3.08Å; K489-E492 HydrophobicContact CB-CB 4.39Å; K489-E492 PolarHBondContact O-N 2.91Å
490E64.8Low78.3Confident191 Ų19153.6 Ų53.689%0.89327%0.27SS*.THydrogen-bonded Turntrans-57.3115.3179.2-155.8174-169.800110.1
491G65.8Low77.8Confident39 Ų3953.7 Ų53.740%0.40227%0.271SS..THydrogen-bonded Turntrans97.3-16.7-175.700000116.3E487 K489 L493E487-G491 PolarHBondContact OE1-N 3.1Å; E487-G491 VanDerWaalsContact OE1-N 3.08Å; K489-G491 PolarHBondContact O-N 3.46Å; K489-G491 VanDerWaalsContact O-N 3.08Å; G491-L493 PolarHBondContact O-N 2.87Å
492E75.9Confident77.6Confident109 Ų10953.7 Ų53.751%0.50927%0.271SS..  trans-92.873.9172.4-76.2-174168.200110.6K489K489-E492 HydrophobicContact CB-CB 4.39Å; K489-E492 PolarHBondContact O-N 2.91Å
493L83Confident77.8Confident3 Ų354 Ų542%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-84.7121.1176.8-174.866.3000110.6P485 E487 G491 Y495 R510 V515P485-L493 HydrophobicContact CB-CD1 3.86Å; E487-L493 HydrophobicContact CB-CD1 4.37Å; G491-L493 PolarHBondContact O-N 2.87Å; L493-Y495 HydrophobicContact CD1-CE1 4.41Å; L493-Y495 HydrophobicContact CD2-CE1 3.87Å; L493-Y495 WeakPolarHBondContact CD2-OH 3.35Å; L493-Y495 HydrophobicContact CG-CE1 4.08Å; L493-R510 PolarHBondContact O-NH1 3.1Å; L493-V515 HydrophobicContact CD2-CG1 3.66Å
494N82.4Confident78Confident86 Ų8654.5 Ų54.546%0.4628%0.279SS..EExtended strand (participates in β ladder)trans-114.1133.8173.2-73.9-25.3000110.3E486E486-N494 PolarHBondContact N-O 2.81Å; E486-N494 PolarHBondContact O-N 2.86Å
495Y85.5Confident78.6Confident33 Ų3351.5 Ų51.513%0.12926%0.264CS..EExtended strand (participates in β ladder)trans-97.8124.2175.4-71.4-40.7000110.9V483 P485 L493 V506 R510 F516V483-Y495 HydrophobicContact CG1-CD1 3.98Å; V483-Y495 HydrophobicContact CG1-CG 3.98Å; P485-Y495 HydrophobicContact CB-CD1 4.27Å; P485-Y495 HydrophobicContact CB-CE1 4.14Å; L493-Y495 HydrophobicContact CD1-CE1 4.41Å; L493-Y495 HydrophobicContact CD2-CE1 3.87Å; L493-Y495 WeakPolarHBondContact CD2-OH 3.35Å; L493-Y495 HydrophobicContact CG-CE1 4.08Å; Y495-V506 HydrophobicContact CD1-CG1 4.36Å; Y495-V506 HydrophobicContact CD2-CB 4.47Å; Y495-V506 HydrophobicContact CD2-CG1 3.87Å; Y495-V506 HydrophobicContact CE1-CG1 4.22Å; Y495-V506 HydrophobicContact CE2-CG1 3.68Å; Y495-V506 HydrophobicContact CG-CG1 4.22Å; Y495-R510 HydrophobicContact CE2-CB 3.79Å; Y495-R510 VanDerWaalsContact CE2-CD 3.43Å; Y495-R510 HydrophobicContact CE2-CG 4.21Å; Y495-F516 HydrophobicContact CD1-CD1 4.15Å; Y495-F516 HydrophobicContact CE1-CB 4.11Å; Y495-F516 AromaticContact CE1-CD1 3.69Å; Y495-F516 HydrophobicContact CE1-CD1 3.69Å; Y495-F516 HydrophobicContact CE1-CG 4.35Å; Y495-F516 VanDerWaalsContact CE1-O 3.29Å; Y495-F516 WeakPolarHBondContact CE1-O 3.45Å; Y495-F516 PolarHBondContact OH-N 2.79Å; Y495-F516 VanDerWaalsContact OH-N 3.08Å; Y495-F516 PolarHBondContact OH-O 2.91Å
496Q75.7Confident79.1Confident57 Ų5750.1 Ų50.127%0.26626%0.255SS..EExtended strand (participates in β ladder)trans-106.2116174.6-58.8-172.12.500108.6N245 V483 M484 E486N245-Q496 PolarHBondContact ND2-NE2 2.98Å; N245-Q496 PolarHBondContact ND2-OE1 2.93Å; N245-Q496 PolarHBondContact OD1-NE2 2.93Å; V483-Q496 CarbonylContact C-O 3.57Å; V483-Q496 WeakPolarHBondContact CA-O 3.25Å; V483-Q496 WeakPolarHBondContact CG1-O 3.39Å; M484-Q496 PolarHBondContact N-O 3.05Å; M484-Q496 PolarHBondContact O-N 2.92Å; E486-Q496 PolarHBondContact OE2-NE2 2.66Å
497A77Confident79.8Confident29 Ų2948.7 Ų48.724%0.2425%0.25CS..  trans-118.4142.5-176.400000110.1V483 S499 E502V483-A497 HydrophobicContact CB-CB 4.46Å; V483-A497 HydrophobicContact CG1-CB 4.38Å; V483-A497 HydrophobicContact CG2-CB 3.64Å; A497-S499 VanDerWaalsContact C-N 3.27Å; A497-S499 VanDerWaalsContact CB-O 3.23Å; A497-S499 WeakPolarHBondContact CB-O 3.42Å; A497-E502 HydrophobicContact CB-CB 4.44Å
498Q69Low80.7Confident30 Ų3045.3 Ų45.314%0.1423%0.234CC..SBendtrans-66.9-34.6170.6-178.8-173.83.100111.7N179 H1139 S1140N179-Q498 PolarHBondContact ND2-O 3.27Å; N179-Q498 PolarHBondContact OD1-O 2.56Å; Q498-H1139 PolarHBondContact OE1-CE1 3.09Å; Q498-H1139 PolarHBondContact OE1-ND1 3.4Å; Q498-H1139 PolarHBondContact OE1-NE2 2.97Å; Q498-S1140 PolarHBondContact NE2-O 3.47Å; Q498-S1140 PolarHBondContact NE2-OG 2.87Å
499S75.3Confident82Confident0 Ų038.5 Ų38.50%020%0.204CC..SBendtrans-115.3125.6176.2176.10000108.4A497 D501 E502 G503 S1138A497-S499 VanDerWaalsContact C-N 3.27Å; A497-S499 VanDerWaalsContact CB-O 3.23Å; A497-S499 WeakPolarHBondContact CB-O 3.42Å; S499-D501 PolarHBondContact O-N 3.1Å; S499-D501 PolarHBondContact OG-N 3.43Å; S499-E502 WeakPolarHBondContact O-CB 3.27Å; S499-E502 PolarHBondContact O-N 2.85Å; S499-G503 PolarHBondContact O-N 2.96Å; S499-G503 VanDerWaalsContact O-N 3.15Å; S499-S1138 PolarHBondContact OG-OG 3.31Å
500P78.9Confident83.1Confident39 Ų3932.2 Ų32.225%0.25318%0.177SC..Hα-helixtrans-62.3-25.5176.627.6-37.3000112.2M408 E502 G503 A504 S1138M408-P500 HydrophobicContact CB-CB 4.26Å; M408-P500 HydrophobicContact CE-CG 4.16Å; M408-P500 HydrophobicContact CG-CB 3.6Å; M408-P500 HydrophobicContact CG-CG 3.84Å; P500-E502 VanDerWaalsContact C-N 3.33Å; P500-E502 PolarHBondContact O-N 3.16Å; P500-G503 PolarHBondContact O-N 2.97Å; P500-A504 PolarHBondContact O-N 2.79Å; P500-S1138 WeakPolarHBondContact CD-OG 3.38Å
501D84.1Confident84.4Confident3 Ų323.1 Ų23.12%0.01613%0.134CC..Hα-helixtrans-59.3-44.3171.2-58.5-41.6000110.8S499 A504 L505 R600 F1137 S1138S499-D501 PolarHBondContact O-N 3.1Å; S499-D501 PolarHBondContact OG-N 3.43Å; D501-A504 PolarHBondContact O-N 3.3Å; D501-L505 VanDerWaalsContact O-CG 3.27Å; D501-L505 WeakPolarHBondContact O-CG 3.47Å; D501-L505 PolarHBondContact O-N 2.78Å; D501-L505 VanDerWaalsContact O-N 3.12Å; D501-R600 IonicContact OD1-CZ 3.01Å; D501-R600 IonicContact OD1-NH1 2.64Å; D501-R600 PolarHBondContact OD1-NH1 3.17Å; D501-R600 IonicContact OD2-NH1 3.93Å; D501-R600 PolarHBondContact OD2-NH1 3.37Å; D501-F1137 HydrophobicContact CB-CD2 3.92Å; D501-F1137 HydrophobicContact CB-CE2 3.96Å; D501-F1137 WeakPolarHBondContact OD2-CA 3.5Å; D501-S1138 PolarHBondContact OD2-N 3.29Å; D501-S1138 PolarHBondContact OD2-OG 3.11Å
502E86.9Confident85.7Confident0 Ų021.2 Ų21.20%012%0.115CC..Hα-helixtrans-67.8-41.4177-68.4-155.5154.100112.1T482 V483 A497 S499 P500 A504 L505 V506 K566 F1137 H1139T482-E502 PolarHBondContact N-OE2 3.11Å; T482-E502 PolarHBondContact OG1-OE2 2.98Å; V483-E502 HydrophobicContact CG2-CB 3.92Å; A497-E502 HydrophobicContact CB-CB 4.44Å; S499-E502 WeakPolarHBondContact O-CB 3.27Å; S499-E502 PolarHBondContact O-N 2.85Å; P500-E502 VanDerWaalsContact C-N 3.33Å; P500-E502 PolarHBondContact O-N 3.16Å; E502-A504 VanDerWaalsContact C-N 3.28Å; E502-A504 PolarHBondContact O-N 2.7Å; E502-L505 PolarHBondContact O-N 3.19Å; E502-L505 VanDerWaalsContact O-N 3.17Å; E502-V506 WeakPolarHBondContact O-CG2 3.41Å; E502-V506 PolarHBondContact O-N 3.15Å; E502-K566 VanDerWaalsContact CD-NZ 3.31Å; E502-K566 WeakPolarHBondContact OE1-CE 3.25Å; E502-K566 IonicContact OE1-NZ 2.98Å; E502-K566 PolarHBondContact OE1-NZ 3.28Å; E502-F1137 HydrophobicContact CG-CE2 3.85Å; E502-F1137 HydrophobicContact CG-CZ 3.56Å; E502-H1139 IonicContact OE1-CD2 3.74Å; E502-H1139 IonicContact OE1-NE2 2.7Å
503G88.9Confident86.4Confident10 Ų1016.2 Ų16.210%0.1039%0.092CC..Hα-helixtrans-55.3-45.817500000111.4S499 P500 L505 V506 T507S499-G503 PolarHBondContact O-N 2.96Å; S499-G503 VanDerWaalsContact O-N 3.15Å; P500-G503 PolarHBondContact O-N 2.97Å; G503-L505 PolarHBondContact O-N 2.86Å; G503-V506 PolarHBondContact O-N 2.87Å; G503-T507 VanDerWaalsContact O-CB 3.29Å; G503-T507 WeakPolarHBondContact O-CB 3.35Å; G503-T507 PolarHBondContact O-N 3.18Å; G503-T507 PolarHBondContact O-OG1 2.73Å
504A90.8Very high86.9Confident10 Ų1016.1 Ų16.18%0.0839%0.092CC..Hα-helixtrans-62.6-41.1177.100000112.7M408 P500 D501 E502 A508 V654M408-A504 HydrophobicContact CB-CB 3.97Å; M408-A504 WeakPolarHBondContact O-CB 3.34Å; P500-A504 PolarHBondContact O-N 2.79Å; D501-A504 PolarHBondContact O-N 3.3Å; E502-A504 VanDerWaalsContact C-N 3.28Å; E502-A504 PolarHBondContact O-N 2.7Å; A504-A508 WeakPolarHBondContact O-CB 3.37Å; A504-A508 PolarHBondContact O-N 3.43Å; A504-V654 HydrophobicContact CB-CG1 4.24Å
505L94Very high87.5Confident1 Ų112.1 Ų12.11%0.0057%0.071CC..Hα-helixtrans-67.3-43.7178.7-68.5173.4000112.8F410 L477 D501 E502 G503 A508 A509 L602 T652 V654F410-L505 HydrophobicContact CD2-CD2 4.05Å; L477-L505 HydrophobicContact CD1-CD2 4.34Å; L477-L505 HydrophobicContact CD2-CB 4.25Å; L477-L505 HydrophobicContact CD2-CD1 4.27Å; L477-L505 HydrophobicContact CD2-CD2 4.15Å; L477-L505 HydrophobicContact CD2-CG 4.46Å; D501-L505 VanDerWaalsContact O-CG 3.27Å; D501-L505 WeakPolarHBondContact O-CG 3.47Å; D501-L505 PolarHBondContact O-N 2.78Å; D501-L505 VanDerWaalsContact O-N 3.12Å; E502-L505 PolarHBondContact O-N 3.19Å; E502-L505 VanDerWaalsContact O-N 3.17Å; G503-L505 PolarHBondContact O-N 2.86Å; L505-A508 WeakPolarHBondContact O-CB 3.24Å; L505-A508 PolarHBondContact O-N 2.98Å; L505-A509 PolarHBondContact O-N 3.09Å; L505-L602 HydrophobicContact CD1-CD1 3.9Å; L505-T652 HydrophobicContact CD2-CG2 3.79Å; L505-V654 HydrophobicContact CD2-CG2 3.9Å; L505-V654 HydrophobicContact CG-CG2 4.27Å
506V93.7Very high87.8Confident1 Ų110.6 Ų10.61%0.0067%0.065CC..Hα-helixtrans-70.3-38178.4179.70000110.6H481 V483 Y495 E502 G503 A508 A509 R510 F516H481-V506 HydrophobicContact CB-CG2 3.89Å; H481-V506 VanDerWaalsContact CD2-CG2 3.45Å; H481-V506 WeakPolarHBondContact CD2-CG2 3.42Å; V483-V506 HydrophobicContact CB-CG2 4.2Å; V483-V506 HydrophobicContact CG1-CG1 4.49Å; V483-V506 HydrophobicContact CG2-CB 4.29Å; V483-V506 HydrophobicContact CG2-CG2 3.67Å; Y495-V506 HydrophobicContact CD1-CG1 4.36Å; Y495-V506 HydrophobicContact CD2-CB 4.47Å; Y495-V506 HydrophobicContact CD2-CG1 3.87Å; Y495-V506 HydrophobicContact CE1-CG1 4.22Å; Y495-V506 HydrophobicContact CE2-CG1 3.68Å; Y495-V506 HydrophobicContact CG-CG1 4.22Å; E502-V506 WeakPolarHBondContact O-CG2 3.41Å; E502-V506 PolarHBondContact O-N 3.15Å; G503-V506 PolarHBondContact O-N 2.87Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 3.25Å; V506-A509 PolarHBondContact O-N 3.41Å; V506-R510 WeakPolarHBondContact O-CB 3.35Å; V506-R510 PolarHBondContact O-N 3.14Å; V506-F516 HydrophobicContact CG1-CB 4.16Å; V506-F516 HydrophobicContact CG1-CD1 4.46Å
507T92.3Very high88.4Confident26 Ų2611.2 Ų11.216%0.167%0.065CC..Hα-helixtrans-62.5-40.2171.7-63.70000111.4D449 F452 G503 R510 N511D449-T507 HydrophobicContact CB-CG2 4.14Å; F452-T507 HydrophobicContact CD2-CG2 4.18Å; G503-T507 VanDerWaalsContact O-CB 3.29Å; G503-T507 WeakPolarHBondContact O-CB 3.35Å; G503-T507 PolarHBondContact O-N 3.18Å; G503-T507 PolarHBondContact O-OG1 2.73Å; T507-R510 WeakPolarHBondContact O-CB 3.34Å; T507-R510 PolarHBondContact O-N 2.63Å; T507-N511 PolarHBondContact O-N 2.83Å; T507-N511 VanDerWaalsContact O-N 3.13Å; T507-N511 PolarHBondContact O-ND2 3.32Å
508A93.3Very high88.7Confident0 Ų012.4 Ų12.40%07%0.071CC..Hα-helixtrans-60.3-51.717300000110.9F410 F452 A504 L505 V506 R510 N511 F512F410-A508 HydrophobicContact CB-CB 3.67Å; F410-A508 HydrophobicContact CD1-CB 3.92Å; F410-A508 HydrophobicContact CD2-CB 3.98Å; F410-A508 HydrophobicContact CG-CB 3.59Å; F452-A508 HydrophobicContact CE2-CB 4.04Å; F452-A508 HydrophobicContact CZ-CB 4.15Å; A504-A508 WeakPolarHBondContact O-CB 3.37Å; A504-A508 PolarHBondContact O-N 3.43Å; L505-A508 WeakPolarHBondContact O-CB 3.24Å; L505-A508 PolarHBondContact O-N 2.98Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 3.25Å; A508-R510 VanDerWaalsContact C-N 3.28Å; A508-R510 PolarHBondContact O-N 3.17Å; A508-N511 PolarHBondContact O-N 3.39Å; A508-F512 WeakPolarHBondContact O-CD2 3.47Å; A508-F512 PolarHBondContact O-N 2.91Å; A508-F512 VanDerWaalsContact O-N 3.1Å
509A94.7Very high89.3Confident0 Ų012.5 Ų12.50%07%0.07CC..Hα-helixtrans-54.8-43.1177.800000112.6F474 L477 A478 L505 V506 N511 F512 G513 F514F474-A509 HydrophobicContact CD1-CB 4.31Å; L477-A509 HydrophobicContact CB-CB 3.99Å; A478-A509 HydrophobicContact CB-CB 4.1Å; L505-A509 PolarHBondContact O-N 3.09Å; V506-A509 PolarHBondContact O-N 3.41Å; A509-N511 PolarHBondContact O-N 3.13Å; A509-F512 CarbonylContact O-C 3.49Å; A509-F512 PolarHBondContact O-N 3.18Å; A509-G513 PolarHBondContact O-N 3.42Å; A509-F514 CarbonylContact C-O 3.54Å; A509-F514 HydrophobicContact CB-CB 4.29Å; A509-F514 CarbonylContact O-C 3.57Å; A509-F514 WeakPolarHBondContact O-CA 3.44Å; A509-F514 PolarHBondContact O-N 2.84Å
510R92.7Very high89.3Confident9 Ų915.4 Ų15.43%0.0349%0.088CC..Hα-helixtrans-54.8-47.9173.9162.8-178.8177.8-1796.7112.2N445 L447 A448 L493 Y495 V506 T507 A508 G513 F514 V515N445-R510 PolarHBondContact ND2-O 2.78Å; L447-R510 VanDerWaalsContact O-CZ 3.25Å; L447-R510 PolarHBondContact O-NE 3.25Å; L447-R510 PolarHBondContact O-NH2 2.84Å; A448-R510 PolarHBondContact O-NH2 3.1Å; L493-R510 PolarHBondContact O-NH1 3.1Å; Y495-R510 HydrophobicContact CE2-CB 3.79Å; Y495-R510 VanDerWaalsContact CE2-CD 3.43Å; Y495-R510 HydrophobicContact CE2-CG 4.21Å; V506-R510 WeakPolarHBondContact O-CB 3.35Å; V506-R510 PolarHBondContact O-N 3.14Å; T507-R510 WeakPolarHBondContact O-CB 3.34Å; T507-R510 PolarHBondContact O-N 2.63Å; A508-R510 VanDerWaalsContact C-N 3.28Å; A508-R510 PolarHBondContact O-N 3.17Å; R510-G513 PolarHBondContact O-N 3.47Å; R510-F514 WeakPolarHBondContact CA-O 3.37Å; R510-F514 PolarHBondContact N-O 3.09Å; R510-V515 HydrophobicContact CB-CG2 4.49Å; R510-V515 HydrophobicContact CG-CG1 4.09Å; R510-V515 HydrophobicContact CG-CG2 4.17Å
511N91.8Very high88.9Confident0 Ų014.3 Ų14.30%08%0.081CC..Hα-helixtrans-67.9-37.9-177.7-75.5-71.6000112.4F442 N445 A448 D449 F452 T507 A508 A509 G513F442-N511 HydrophobicContact CD1-CB 4.14Å; F442-N511 WeakPolarHBondContact CD1-O 3.38Å; F442-N511 HydrophobicContact CE1-CB 4.1Å; F442-N511 HydrophobicContact CZ-CB 4.46Å; N445-N511 PolarHBondContact ND2-O 3.38Å; A448-N511 WeakPolarHBondContact CB-OD1 3.43Å; D449-N511 PolarHBondContact N-OD1 2.78Å; D449-N511 PolarHBondContact O-OD1 3.26Å; F452-N511 WeakPolarHBondContact CB-ND2 3.41Å; F452-N511 HydrophobicContact CD1-CB 3.5Å; F452-N511 VanDerWaalsContact CD1-CB 3.5Å; F452-N511 HydrophobicContact CE1-CB 3.76Å; F452-N511 HydrophobicContact CG-CB 4.05Å; F452-N511 VanDerWaalsContact CG-CG 3.48Å; F452-N511 WeakPolarHBondContact CG-ND2 3.36Å; T507-N511 PolarHBondContact O-N 2.83Å; T507-N511 VanDerWaalsContact O-N 3.13Å; T507-N511 PolarHBondContact O-ND2 3.32Å; A508-N511 PolarHBondContact O-N 3.39Å; A509-N511 PolarHBondContact O-N 3.13Å; N511-G513 PolarHBondContact O-N 3.03Å
512F92.9Very high88.6Confident0 Ų019.6 Ų19.60%011%0.106CC..THydrogen-bonded Turntrans-78.412.4174.7-66.8-78.2000114.2F410 F442 F452 F454 L459 V460 F474 A508 A509F410-F512 HydrophobicContact CE1-CE2 4.31Å; F442-F512 HydrophobicContact CE1-CD1 4.25Å; F442-F512 HydrophobicContact CE1-CE1 4.18Å; F442-F512 HydrophobicContact CZ-CE1 4.29Å; F442-F512 HydrophobicContact CZ-CZ 4.27Å; F452-F512 HydrophobicContact CE1-CE2 4.12Å; F452-F512 HydrophobicContact CZ-CE2 4.02Å; F454-F512 HydrophobicContact CD1-CE1 4.34Å; F454-F512 AromaticContact CD1-CZ 3.75Å; F454-F512 HydrophobicContact CD1-CZ 3.75Å; F454-F512 HydrophobicContact CD2-CZ 4.49Å; F454-F512 HydrophobicContact CE1-CE1 4.39Å; F454-F512 AromaticContact CE1-CZ 3.85Å; F454-F512 HydrophobicContact CE1-CZ 3.85Å; F454-F512 HydrophobicContact CG-CZ 4.09Å; F454-F512 HydrophobicContact CZ-CZ 4.29Å; L459-F512 HydrophobicContact CB-CE1 4.31Å; L459-F512 HydrophobicContact CD2-CE1 3.81Å; L459-F512 HydrophobicContact CD2-CE2 4.28Å; L459-F512 HydrophobicContact CD2-CZ 3.61Å; L459-F512 HydrophobicContact CG-CD1 4.41Å; L459-F512 HydrophobicContact CG-CE1 3.76Å; L459-F512 HydrophobicContact CG-CZ 4.12Å; V460-F512 HydrophobicContact CG2-CD1 3.9Å; V460-F512 HydrophobicContact CG2-CE1 3.5Å; F474-F512 HydrophobicContact CD1-CB 4.1Å; F474-F512 HydrophobicContact CD1-CD2 4.15Å; F474-F512 HydrophobicContact CD1-CG 4.41Å; F474-F512 HydrophobicContact CD2-CB 4.12Å; F474-F512 HydrophobicContact CE1-CB 3.96Å; F474-F512 AromaticContact CE1-CD2 3.28Å; F474-F512 HydrophobicContact CE1-CD2 3.28Å; F474-F512 AromaticContact CE1-CE2 3.95Å; F474-F512 HydrophobicContact CE1-CE2 3.95Å; F474-F512 AromaticContact CE1-CG 3.78Å; F474-F512 HydrophobicContact CE1-CG 3.78Å; F474-F512 HydrophobicContact CE2-CB 4Å; F474-F512 HydrophobicContact CE2-CD1 4.3Å; F474-F512 HydrophobicContact CE2-CD2 4.2Å; F474-F512 AromaticContact CE2-CG 3.92Å; F474-F512 HydrophobicContact CE2-CG 3.92Å; F474-F512 HydrophobicContact CG-CB 4.17Å; F474-F512 HydrophobicContact CZ-CB 3.9Å; F474-F512 HydrophobicContact CZ-CD1 4.06Å; F474-F512 AromaticContact CZ-CD2 3.3Å; F474-F512 HydrophobicContact CZ-CD2 3.3Å; F474-F512 HydrophobicContact CZ-CE1 4.43Å; F474-F512 AromaticContact CZ-CE2 3.78Å; F474-F512 HydrophobicContact CZ-CE2 3.78Å; F474-F512 AromaticContact CZ-CG 3.49Å; F474-F512 HydrophobicContact CZ-CG 3.49Å; F474-F512 VanDerWaalsContact CZ-CG 3.49Å; F474-F512 HydrophobicContact CZ-CZ 4.33Å; A508-F512 WeakPolarHBondContact O-CD2 3.47Å; A508-F512 PolarHBondContact O-N 2.91Å; A508-F512 VanDerWaalsContact O-N 3.1Å; A509-F512 CarbonylContact O-C 3.49Å; A509-F512 PolarHBondContact O-N 3.18Å
513G90.9Very high88.6Confident3 Ų321.4 Ų21.43%0.03112%0.117CC..THydrogen-bonded Turntrans96.38.6169.600000115.7A509 R510 N511 M529A509-G513 PolarHBondContact O-N 3.42Å; R510-G513 PolarHBondContact O-N 3.47Å; N511-G513 PolarHBondContact O-N 3.03Å; G513-M529 PolarHBondContact O-N 3.14Å
514F94.6Very high88.6Confident1 Ų120.9 Ų20.90%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-110.880.7175.6-66.9-96.7000109.6V463 Q471 F474 R475 A478 A509 R510 M527 E528 M529V463-F514 HydrophobicContact CG1-CE2 4.19Å; Q471-F514 HydrophobicContact CB-CZ 3.79Å; Q471-F514 HydrophobicContact CG-CZ 3.91Å; F474-F514 HydrophobicContact CB-CB 4.37Å; F474-F514 HydrophobicContact CB-CD2 3.39Å; F474-F514 HydrophobicContact CB-CE2 3.76Å; F474-F514 HydrophobicContact CB-CG 3.87Å; F474-F514 HydrophobicContact CG-CD2 4.3Å; R475-F514 HydrophobicContact CB-CD1 4.12Å; R475-F514 HydrophobicContact CB-CE1 4.05Å; A478-F514 HydrophobicContact CB-CB 4.01Å; A509-F514 CarbonylContact C-O 3.54Å; A509-F514 HydrophobicContact CB-CB 4.29Å; A509-F514 CarbonylContact O-C 3.57Å; A509-F514 WeakPolarHBondContact O-CA 3.44Å; A509-F514 PolarHBondContact O-N 2.84Å; R510-F514 WeakPolarHBondContact CA-O 3.37Å; R510-F514 PolarHBondContact N-O 3.09Å; F514-M527 CarbonylContact C-O 3.53Å; F514-M527 WeakPolarHBondContact CA-O 3.43Å; F514-E528 HydrophobicContact CD1-CB 4.34Å; F514-E528 HydrophobicContact CD1-CG 3.92Å; F514-E528 HydrophobicContact CE1-CB 4.27Å; F514-E528 HydrophobicContact CE1-CG 4.07Å; F514-M529 HydrophobicContact CE2-SD 4.38Å
515V93.6Very high88.6Confident3 Ų321 Ų212%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-92.2112.3-169.7-171.20000110.8L447 L493 R510 R517 I526 M527L447-V515 HydrophobicContact CB-CG1 4.2Å; L447-V515 HydrophobicContact CB-CG2 4.01Å; L447-V515 HydrophobicContact CD1-CB 4.36Å; L447-V515 HydrophobicContact CD1-CG1 4.09Å; L447-V515 HydrophobicContact CD1-CG2 4.31Å; L493-V515 HydrophobicContact CD2-CG1 3.66Å; R510-V515 HydrophobicContact CB-CG2 4.49Å; R510-V515 HydrophobicContact CG-CG1 4.09Å; R510-V515 HydrophobicContact CG-CG2 4.17Å; V515-R517 PolarHBondContact O-N 2.8Å; V515-I526 CarbonylContact O-C 3.57Å; V515-I526 VanDerWaalsContact O-CA 3.26Å; V515-I526 WeakPolarHBondContact O-CA 3.34Å; V515-M527 HydrophobicContact CB-CB 4.1Å; V515-M527 PolarHBondContact N-O 3.18Å; V515-M527 PolarHBondContact O-N 3.13Å
516F92.9Very high88.6Confident0 Ų021 Ų210%011%0.111CC..EExtended strand (participates in β ladder)trans-69123.7171.3170.7-121.6000110.9H481 V483 P485 Y495 V506 S518 R519 I524 I526H481-F516 AromaticContact CE1-CD1 3.54Å; H481-F516 AromaticContact CE1-CE1 3.59Å; H481-F516 AromaticContact CE1-CG 3.77Å; H481-F516 AromaticContact CE1-CZ 3.9Å; H481-F516 AromaticContact NE2-CG 3.86Å; V483-F516 WeakPolarHBondContact O-CE1 3.28Å; P485-F516 HydrophobicContact CB-CD1 4.2Å; P485-F516 HydrophobicContact CB-CE1 3.96Å; P485-F516 HydrophobicContact CG-CD1 4.14Å; P485-F516 HydrophobicContact CG-CE1 3.5Å; P485-F516 VanDerWaalsContact CG-CE1 3.5Å; P485-F516 HydrophobicContact CG-CZ 3.73Å; Y495-F516 HydrophobicContact CD1-CD1 4.15Å; Y495-F516 HydrophobicContact CE1-CB 4.11Å; Y495-F516 AromaticContact CE1-CD1 3.69Å; Y495-F516 HydrophobicContact CE1-CD1 3.69Å; Y495-F516 HydrophobicContact CE1-CG 4.35Å; Y495-F516 VanDerWaalsContact CE1-O 3.29Å; Y495-F516 WeakPolarHBondContact CE1-O 3.45Å; Y495-F516 PolarHBondContact OH-N 2.79Å; Y495-F516 VanDerWaalsContact OH-N 3.08Å; Y495-F516 PolarHBondContact OH-O 2.91Å; V506-F516 HydrophobicContact CG1-CB 4.16Å; V506-F516 HydrophobicContact CG1-CD1 4.46Å; F516-S518 WeakPolarHBondContact CE2-O 3.23Å; F516-R519 HydrophobicContact CE2-CB 3.91Å; F516-R519 HydrophobicContact CZ-CB 3.79Å; F516-I524 HydrophobicContact CD2-CG2 3.94Å; F516-I524 HydrophobicContact CE2-CG2 3.84Å; F516-I526 HydrophobicContact CB-CG2 4.37Å; F516-I526 HydrophobicContact CD2-CG2 4.18Å
517R87.6Confident88.5Confident71 Ų7122.8 Ų22.827%0.26812%0.12SC..EExtended strand (participates in β ladder)trans-108.2-48.3-174.5-70.6-73-83.7166.3-0.2113.3P485 E487 V515 T525 M527P485-R517 WeakPolarHBondContact CB-O 3.12Å; P485-R517 WeakPolarHBondContact CG-O 3.33Å; E487-R517 VanDerWaalsContact CD-NH1 3.26Å; E487-R517 IonicContact OE1-CZ 2.66Å; E487-R517 IonicContact OE1-NH1 2.73Å; E487-R517 PolarHBondContact OE1-NH1 3.34Å; E487-R517 IonicContact OE1-NH2 2.79Å; E487-R517 IonicContact OE2-CZ 2.78Å; E487-R517 IonicContact OE2-NH1 3.68Å; E487-R517 PolarHBondContact OE2-NH1 3.04Å; E487-R517 IonicContact OE2-NH2 3.08Å; E487-R517 PolarHBondContact OE2-NH2 3.25Å; V515-R517 PolarHBondContact O-N 2.8Å; R517-T525 PolarHBondContact N-O 3.41Å; R517-M527 HydrophobicContact CG-CG 3.66Å; R517-M527 HydrophobicContact CG-SD 4.48Å
518S83.9Confident88.5Confident53 Ų5322.7 Ų22.737%0.37112%0.118SC..EExtended strand (participates in β ladder)trans-158154.4-175.256.80000111.2F516 T525F516-S518 WeakPolarHBondContact CE2-O 3.23Å; S518-T525 PolarHBondContact N-O 3.3Å; S518-T525 PolarHBondContact O-N 3.21Å; S518-T525 WeakPolarHBondContact OG-CB 3.33Å
519R81Confident88.3Confident32 Ų3226.1 Ų26.112%0.12114%0.135CC..EExtended strand (participates in β ladder)trans-133.6140.5174.4177.2176.1-62.7179.2-6110.2H481 F516 T523 I524 V1147H481-R519 PolarHBondContact CE1-NH2 3.2Å; H481-R519 VanDerWaalsContact CE1-NH2 3.29Å; H481-R519 PolarHBondContact ND1-NH2 3.23Å; H481-R519 VanDerWaalsContact O-CZ 3.22Å; H481-R519 PolarHBondContact O-NH1 2.8Å; H481-R519 PolarHBondContact O-NH2 3.35Å; F516-R519 HydrophobicContact CE2-CB 3.91Å; F516-R519 HydrophobicContact CZ-CB 3.79Å; R519-T523 CarbonylContact C-O 3.53Å; R519-T523 WeakPolarHBondContact CA-O 3.45Å; R519-I524 HydrophobicContact CG-CG1 4.15Å; R519-V1147 HydrophobicContact CG-CG1 4.46Å
520T76.5Confident87.9Confident61 Ų6129.1 Ų29.137%0.37417%0.165SC..  trans-115.1168.8162.270.70000108.6E522 T523T520-E522 PolarHBondContact O-N 3.41Å; T520-E522 VanDerWaalsContact O-N 3.1Å; T520-E522 PolarHBondContact OG1-N 2.76Å; T520-T523 PolarHBondContact N-O 3.41Å; T520-T523 PolarHBondContact O-N 2.72Å; T520-T523 VanDerWaalsContact O-O 3.07Å; T520-T523 PolarHBondContact OG1-N 3.02Å; T520-T523 PolarHBondContact OG1-OG1 3.21Å
521P70.8Confident87.7Confident17 Ų1735.6 Ų35.611%0.1120%0.196CC..SBendtrans-55.9-26175.8-27.436.7000113.9S1149 F1152P521-S1149 WeakPolarHBondContact CG-O 3.24Å; P521-F1152 HydrophobicContact CG-CB 3.97Å; P521-F1152 HydrophobicContact CG-CD2 4.16Å; P521-F1152 HydrophobicContact CG-CG 4.35Å
522E76.8Confident87.7Confident113 Ų11343 Ų4353%0.52823%0.228SC..SBendtrans-110-12.3-175.8-64.3169.5-170.200113.6T520 E536 L537T520-E522 PolarHBondContact O-N 3.41Å; T520-E522 VanDerWaalsContact O-N 3.1Å; T520-E522 PolarHBondContact OG1-N 2.76Å; E522-E536 CarbonylContact O-C 3.49Å; E522-E536 WeakPolarHBondContact O-CA 3.46Å; E522-L537 PolarHBondContact O-N 2.78Å
523T86.8Confident87.8Confident38 Ų3843.9 Ų43.923%0.23323%0.234CC..EExtended strand (participates in β ladder)trans-144.4148.7-175.470.80000113.8R519 T520 T534 Y535R519-T523 CarbonylContact C-O 3.53Å; R519-T523 WeakPolarHBondContact CA-O 3.45Å; T520-T523 PolarHBondContact N-O 3.41Å; T520-T523 PolarHBondContact O-N 2.72Å; T520-T523 VanDerWaalsContact O-O 3.07Å; T520-T523 PolarHBondContact OG1-N 3.02Å; T520-T523 PolarHBondContact OG1-OG1 3.21Å; T523-T534 HydrophobicContact CG2-CG2 4.25Å; T523-Y535 CarbonylContact C-O 3.59Å; T523-Y535 WeakPolarHBondContact CA-O 3.35Å; T523-Y535 WeakPolarHBondContact CB-O 3.46Å
524I89.8Confident87.9Confident0 Ų047.1 Ų47.10%025%0.253CS..EExtended strand (participates in β ladder)trans-121.6122.7171.6-58.6177.4000107.9L479 F516 R519 I526 Y535 L537L479-I524 HydrophobicContact CD2-CB 4.18Å; L479-I524 HydrophobicContact CD2-CG2 3.75Å; F516-I524 HydrophobicContact CD2-CG2 3.94Å; F516-I524 HydrophobicContact CE2-CG2 3.84Å; R519-I524 HydrophobicContact CG-CG1 4.15Å; I524-I526 HydrophobicContact CG2-CG2 4.02Å; I524-Y535 PolarHBondContact N-O 3.16Å; I524-Y535 PolarHBondContact O-N 3.04Å; I524-L537 HydrophobicContact CD1-CD1 4Å; I524-L537 HydrophobicContact CD1-CD2 4.34Å; I524-L537 HydrophobicContact CG1-CB 4.39Å; I524-L537 HydrophobicContact CG1-CD2 4.38Å
525T89.9Confident87.8Confident13 Ų1347.7 Ų47.78%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-105123.7177.9-52.10000110.2R517 S518 K532R517-T525 PolarHBondContact N-O 3.41Å; S518-T525 PolarHBondContact N-O 3.3Å; S518-T525 PolarHBondContact O-N 3.21Å; S518-T525 WeakPolarHBondContact OG-CB 3.33Å; T525-K532 HydrophobicContact CG2-CD 4.33Å; T525-K532 VanDerWaalsContact CG2-CE 3.42Å; T525-K532 HydrophobicContact CG2-CG 3.93Å
526I93.7Very high87.6Confident0 Ų051.4 Ų51.40%027%0.272CS..EExtended strand (participates in β ladder)trans-127.6152.917768173.9000110.7A478 L479 V515 F516 I524 E528 V533 Y535A478-I526 HydrophobicContact CB-CD1 4.41Å; L479-I526 HydrophobicContact CD2-CD1 4.1Å; L479-I526 HydrophobicContact CD2-CG2 4.11Å; L479-I526 HydrophobicContact CG-CD1 4.34Å; V515-I526 CarbonylContact O-C 3.57Å; V515-I526 VanDerWaalsContact O-CA 3.26Å; V515-I526 WeakPolarHBondContact O-CA 3.34Å; F516-I526 HydrophobicContact CB-CG2 4.37Å; F516-I526 HydrophobicContact CD2-CG2 4.18Å; I524-I526 HydrophobicContact CG2-CG2 4.02Å; I526-E528 HydrophobicContact CD1-CG 3.65Å; I526-E528 WeakPolarHBondContact CD1-OE1 3.49Å; I526-E528 HydrophobicContact CG1-CG 3.84Å; I526-V533 PolarHBondContact N-O 3.48Å; I526-V533 PolarHBondContact O-N 2.99Å; I526-V533 VanDerWaalsContact O-O 3.06Å; I526-Y535 HydrophobicContact CD1-CD2 4.26Å; I526-Y535 HydrophobicContact CD1-CE2 3.67Å; I526-Y535 HydrophobicContact CG1-CD2 4.17Å; I526-Y535 HydrophobicContact CG1-CE2 3.82Å
527M91.6Very high87.4Confident38 Ų3852 Ų5219%0.18728%0.275CS..EExtended strand (participates in β ladder)trans-95.7109167-57.5-68.2-59.700107.9L447 F514 V515 R517 G530 E531 K532L447-M527 HydrophobicContact CD1-CG 4.3Å; F514-M527 CarbonylContact C-O 3.53Å; F514-M527 WeakPolarHBondContact CA-O 3.43Å; V515-M527 HydrophobicContact CB-CB 4.1Å; V515-M527 PolarHBondContact N-O 3.18Å; V515-M527 PolarHBondContact O-N 3.13Å; R517-M527 HydrophobicContact CG-CG 3.66Å; R517-M527 HydrophobicContact CG-SD 4.48Å; M527-G530 WeakPolarHBondContact CE-O 3.25Å; M527-E531 CarbonylContact C-O 3.42Å; M527-E531 VanDerWaalsContact CA-O 3.24Å; M527-E531 WeakPolarHBondContact CA-O 3.36Å; M527-K532 HydrophobicContact CE-CB 4.23Å; M527-K532 HydrophobicContact SD-CB 3.61Å; M527-K532 HydrophobicContact SD-CG 3.92Å
528E92.3Very high87.4Confident24 Ų2451.3 Ų51.311%0.11228%0.277CS..EExtended strand (participates in β ladder)trans-94.6113.4174.2-61.1-162.8-178.700109.7R475 F514 I526 G530 E531 V533 Y535R475-E528 IonicContact CZ-OE1 3.78Å; R475-E528 IonicContact CZ-OE2 3.44Å; R475-E528 IonicContact NE-OE1 2.69Å; R475-E528 PolarHBondContact NE-OE1 3.12Å; R475-E528 IonicContact NE-OE2 3.67Å; R475-E528 PolarHBondContact NE-OE2 3.28Å; R475-E528 IonicContact NH2-OE1 3.83Å; R475-E528 IonicContact NH2-OE2 2.75Å; R475-E528 PolarHBondContact NH2-OE2 2.99Å; F514-E528 HydrophobicContact CD1-CB 4.34Å; F514-E528 HydrophobicContact CD1-CG 3.92Å; F514-E528 HydrophobicContact CE1-CB 4.27Å; F514-E528 HydrophobicContact CE1-CG 4.07Å; I526-E528 HydrophobicContact CD1-CG 3.65Å; I526-E528 WeakPolarHBondContact CD1-OE1 3.49Å; I526-E528 HydrophobicContact CG1-CG 3.84Å; E528-G530 PolarHBondContact O-N 3.37Å; E528-E531 PolarHBondContact N-O 3.11Å; E528-E531 PolarHBondContact O-N 3.41Å; E528-V533 HydrophobicContact CB-CG2 4.22Å; E528-V533 HydrophobicContact CG-CB 4.37Å; E528-V533 HydrophobicContact CG-CG2 4.07Å; E528-Y535 WeakPolarHBondContact OE1-CE2 3.41Å; E528-Y535 PolarHBondContact OE1-OH 3.27Å
529M89.2Confident87.5Confident73 Ų7349.3 Ų49.336%0.3626%0.263SS..THydrogen-bonded Turntrans51.229.5177.6-59.5-59.4-70.200114.3W444 V463 R464 G513 F514W444-M529 HydrophobicContact CH2-CE 4.23Å; W444-M529 HydrophobicContact CH2-SD 4.33Å; W444-M529 HydrophobicContact CZ3-CE 4.01Å; W444-M529 HydrophobicContact CZ3-SD 4.35Å; V463-M529 HydrophobicContact CG1-SD 4.26Å; R464-M529 HydrophobicContact CG-CE 4.4Å; G513-M529 PolarHBondContact O-N 3.14Å; F514-M529 HydrophobicContact CE2-SD 4.38Å
530G86.1Confident87.9Confident62 Ų6248.6 Ų48.664%0.63926%0.263SS*.THydrogen-bonded Turntrans99-8.9-178.500000115.1M527 E528M527-G530 WeakPolarHBondContact CE-O 3.25Å; E528-G530 PolarHBondContact O-N 3.37Å
531E90.3Very high88.5Confident146 Ų14645.7 Ų45.768%0.68225%0.245SC*.EExtended strand (participates in β ladder)trans-97.9135.9176.3-62.8-165163.500111.9M527 E528 V533M527-E531 CarbonylContact C-O 3.42Å; M527-E531 VanDerWaalsContact CA-O 3.24Å; M527-E531 WeakPolarHBondContact CA-O 3.36Å; E528-E531 PolarHBondContact N-O 3.11Å; E528-E531 PolarHBondContact O-N 3.41Å; E531-V533 PolarHBondContact O-N 3.27Å
532K91.7Very high89.1Confident154 Ų15446 Ų4667%0.6725%0.246SC*.EExtended strand (participates in β ladder)trans-80.8116.4178.7-172.4-179178.8-176.20110T525 M527T525-K532 HydrophobicContact CG2-CD 4.33Å; T525-K532 VanDerWaalsContact CG2-CE 3.42Å; T525-K532 HydrophobicContact CG2-CG 3.93Å; M527-K532 HydrophobicContact CE-CB 4.23Å; M527-K532 HydrophobicContact SD-CB 3.61Å; M527-K532 HydrophobicContact SD-CG 3.92Å
533V94Very high89.4Confident20 Ų2040.8 Ų40.812%0.12122%0.221CC..EExtended strand (participates in β ladder)trans-119.3132.2178.6-174.20000110.2I526 E528 E531 Y535 P557I526-V533 PolarHBondContact N-O 3.48Å; I526-V533 PolarHBondContact O-N 2.99Å; I526-V533 VanDerWaalsContact O-O 3.06Å; E528-V533 HydrophobicContact CB-CG2 4.22Å; E528-V533 HydrophobicContact CG-CB 4.37Å; E528-V533 HydrophobicContact CG-CG2 4.07Å; E531-V533 PolarHBondContact O-N 3.27Å; V533-Y535 HydrophobicContact CB-CE2 4.13Å; V533-Y535 HydrophobicContact CG1-CD2 4.08Å; V533-Y535 HydrophobicContact CG1-CE2 3.49Å; V533-Y535 VanDerWaalsContact CG1-CE2 3.49Å; V533-P557 HydrophobicContact CG1-CB 4.43Å; V533-P557 HydrophobicContact CG1-CG 3.67Å
534T92.1Very high88.8Confident70 Ų7039.8 Ų39.843%0.42921%0.214SC..EExtended strand (participates in β ladder)trans-110.5125.4176-54.20000109.6T523T523-T534 HydrophobicContact CG2-CG2 4.25Å
535Y93.1Very high87.9Confident13 Ų1343.2 Ų43.25%0.05123%0.233CC..EExtended strand (participates in β ladder)trans-102.6138.9174.5-71-93000109.6R475 L479 T523 I524 I526 E528 V533 V554R475-Y535 VanDerWaalsContact CD-OH 3.24Å; R475-Y535 WeakPolarHBondContact CD-OH 3.41Å; R475-Y535 PolarHBondContact NE-OH 3.41Å; R475-Y535 VanDerWaalsContact NE-OH 3.11Å; L479-Y535 HydrophobicContact CD1-CD1 4.09Å; L479-Y535 HydrophobicContact CD1-CD2 4.27Å; L479-Y535 HydrophobicContact CD1-CE1 4.04Å; L479-Y535 HydrophobicContact CD1-CE2 4.22Å; L479-Y535 HydrophobicContact CD1-CG 4.21Å; L479-Y535 HydrophobicContact CD2-CD2 3.73Å; L479-Y535 HydrophobicContact CD2-CE2 4.23Å; L479-Y535 HydrophobicContact CD2-CG 3.97Å; T523-Y535 CarbonylContact C-O 3.59Å; T523-Y535 WeakPolarHBondContact CA-O 3.35Å; T523-Y535 WeakPolarHBondContact CB-O 3.46Å; I524-Y535 PolarHBondContact N-O 3.16Å; I524-Y535 PolarHBondContact O-N 3.04Å; I526-Y535 HydrophobicContact CD1-CD2 4.26Å; I526-Y535 HydrophobicContact CD1-CE2 3.67Å; I526-Y535 HydrophobicContact CG1-CD2 4.17Å; I526-Y535 HydrophobicContact CG1-CE2 3.82Å; E528-Y535 WeakPolarHBondContact OE1-CE2 3.41Å; E528-Y535 PolarHBondContact OE1-OH 3.27Å; V533-Y535 HydrophobicContact CB-CE2 4.13Å; V533-Y535 HydrophobicContact CG1-CD2 4.08Å; V533-Y535 HydrophobicContact CG1-CE2 3.49Å; V533-Y535 VanDerWaalsContact CG1-CE2 3.49Å; Y535-V554 HydrophobicContact CD1-CB 4.26Å; Y535-V554 HydrophobicContact CD1-CG2 3.97Å
536E90.3Very high87.3Confident81 Ų8148.2 Ų48.238%0.37926%0.263SS..EExtended strand (participates in β ladder)trans-84.6126170.4-177.2-173.5174.800108.8E522 L538 V554 R555E522-E536 CarbonylContact O-C 3.49Å; E522-E536 WeakPolarHBondContact O-CA 3.46Å; E536-L538 HydrophobicContact CG-CD2 4.14Å; E536-V554 CarbonylContact O-C 3.57Å; E536-V554 WeakPolarHBondContact O-CA 3.45Å; E536-R555 HydrophobicContact CB-CB 4.15Å; E536-R555 PolarHBondContact N-O 2.87Å; E536-R555 PolarHBondContact O-N 3.13Å; E536-R555 IonicContact OE1-NH1 3.04Å; E536-R555 PolarHBondContact OE1-NH1 3.13Å; E536-R555 VanDerWaalsContact OE1-NH1 3.08Å; E536-R555 WeakPolarHBondContact OE2-CD 3.43Å; E536-R555 IonicContact OE2-CZ 2.67Å; E536-R555 IonicContact OE2-NE 3.96Å; E536-R555 IonicContact OE2-NH1 3.85Å; E536-R555 PolarHBondContact OE2-NH1 3.24Å
537L88.4Confident86.9Confident12 Ų1248.8 Ų48.86%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-91.3110.1-178.6-18061.4000109.1E522 I524 V540 V552 V554E522-L537 PolarHBondContact O-N 2.78Å; I524-L537 HydrophobicContact CD1-CD1 4Å; I524-L537 HydrophobicContact CD1-CD2 4.34Å; I524-L537 HydrophobicContact CG1-CB 4.39Å; I524-L537 HydrophobicContact CG1-CD2 4.38Å; L537-V540 HydrophobicContact CD1-CG2 3.84Å; L537-V540 HydrophobicContact CD2-CG2 3.97Å; L537-V540 HydrophobicContact CG-CG2 4.26Å; L537-V552 HydrophobicContact CD1-CG1 3.33Å; L537-V554 HydrophobicContact CD1-CG1 4.3Å
538L87.9Confident86.7Confident57 Ų5750 Ų5030%0.29827%0.269SS..EExtended strand (participates in β ladder)trans-92.1-41.5-176.4-61.1177000112.1E536 I553 R555 M561 M614E536-L538 HydrophobicContact CG-CD2 4.14Å; L538-I553 HydrophobicContact CB-CB 4.33Å; L538-I553 HydrophobicContact CB-CG2 4.07Å; L538-I553 HydrophobicContact CD1-CG2 4.05Å; L538-I553 PolarHBondContact N-O 3.09Å; L538-R555 HydrophobicContact CD1-CB 4.28Å; L538-M561 HydrophobicContact CD1-CE 4.48Å; L538-M561 HydrophobicContact CD1-CG 3.92Å; L538-M561 HydrophobicContact CD1-SD 3.33Å; L538-M561 WeakPolarHBondContact CD1-SD 3.34Å; L538-M614 HydrophobicContact CB-CE 4.34Å
539A86.4Confident86.7Confident11 Ų1149 Ų499%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-156.5147.9178.100000112.1L541 I553 W617A539-L541 HydrophobicContact CB-CD1 4.26Å; A539-I553 HydrophobicContact CB-CB 4.35Å; A539-I553 HydrophobicContact CB-CD1 4.16Å; A539-I553 HydrophobicContact CB-CG1 4.44Å; A539-I553 PolarHBondContact N-O 3.49Å; A539-I553 PolarHBondContact O-N 2.79Å; A539-W617 HydrophobicContact CB-CH2 4.36Å; A539-W617 HydrophobicContact CB-CZ3 4.2Å
540V87.6Confident86.8Confident18 Ų1845.6 Ų45.611%0.10925%0.248CC..EExtended strand (participates in β ladder)trans-117.9117.1169.4179.80000108.5L537 D542 M550 V552 T1148L537-V540 HydrophobicContact CD1-CG2 3.84Å; L537-V540 HydrophobicContact CD2-CG2 3.97Å; L537-V540 HydrophobicContact CG-CG2 4.26Å; V540-D542 PolarHBondContact O-N 3.41Å; V540-M550 HydrophobicContact CG1-CE 3.9Å; V540-V552 HydrophobicContact CG1-CG2 4.39Å; V540-V552 HydrophobicContact CG2-CG2 4.4Å; V540-T1148 HydrophobicContact CB-CG2 3.77Å; V540-T1148 HydrophobicContact CG2-CG2 3.58Å
541L89.9Confident87.2Confident0 Ų042.6 Ų42.60%022%0.217CC..EExtended strand (participates in β ladder)trans-95.394.1174.6-64.375.9000107.1A539 S551 I553 Y639 I642 E643A539-L541 HydrophobicContact CB-CD1 4.26Å; L541-S551 PolarHBondContact N-O 2.87Å; L541-S551 PolarHBondContact O-N 3.4Å; L541-S551 VanDerWaalsContact O-N 3.07Å; L541-I553 HydrophobicContact CD1-CD1 4.13Å; L541-I553 HydrophobicContact CD1-CG1 4.19Å; L541-Y639 HydrophobicContact CB-CD1 4.44Å; L541-Y639 HydrophobicContact CB-CG 4.48Å; L541-Y639 HydrophobicContact CD2-CD1 3.38Å; L541-Y639 HydrophobicContact CD2-CE1 4.1Å; L541-Y639 HydrophobicContact CD2-CG 3.64Å; L541-Y639 HydrophobicContact CG-CD1 3.61Å; L541-Y639 HydrophobicContact CG-CE1 3.79Å; L541-Y639 HydrophobicContact CG-CG 4.05Å; L541-I642 HydrophobicContact CD2-CG2 4.02Å; L541-E643 HydrophobicContact CD2-CG 4.25Å; L541-E643 WeakPolarHBondContact CD2-OE1 3.47Å
542D82.6Confident87.3Confident24 Ų2435.7 Ų35.713%0.12819%0.185CC..  trans-60.7154.8-170.5-158.810.3000113.1V540 R547 H1139 G1142 Y1143 G1144V540-D542 PolarHBondContact O-N 3.41Å; D542-R547 PolarHBondContact O-NH1 3.09Å; D542-H1139 IonicContact OD1-CE1 3.86Å; D542-G1142 WeakPolarHBondContact OD2-CA 3.38Å; D542-G1142 PolarHBondContact OD2-N 2.89Å; D542-Y1143 PolarHBondContact OD2-N 3.27Å; D542-G1144 VanDerWaalsContact CG-N 3.3Å; D542-G1144 PolarHBondContact OD2-N 3.21Å
543F83.1Confident87.4Confident2 Ų228.4 Ų28.41%0.00915%0.153CC..  trans-67.6133.2175.3179.2-92.9000110.9M550 Y1135 F1137 H1139F543-M550 HydrophobicContact CB-CB 4.27Å; F543-Y1135 WeakPolarHBondContact CE2-OH 3.33Å; F543-F1137 HydrophobicContact CB-CE1 4.44Å; F543-F1137 HydrophobicContact CD1-CD1 4.37Å; F543-F1137 AromaticContact CD2-CD1 3.57Å; F543-F1137 HydrophobicContact CD2-CD1 3.57Å; F543-F1137 AromaticContact CD2-CE1 3.76Å; F543-F1137 HydrophobicContact CD2-CE1 3.76Å; F543-F1137 HydrophobicContact CE1-CD1 4.28Å; F543-F1137 HydrophobicContact CE2-CB 4.48Å; F543-F1137 AromaticContact CE2-CD1 3.46Å; F543-F1137 HydrophobicContact CE2-CD1 3.46Å; F543-F1137 VanDerWaalsContact CE2-CD1 3.46Å; F543-F1137 HydrophobicContact CE2-CE1 4.15Å; F543-F1137 HydrophobicContact CE2-CG 4.41Å; F543-F1137 HydrophobicContact CG-CD1 4.03Å; F543-F1137 HydrophobicContact CG-CE1 4.02Å; F543-F1137 AromaticContact CZ-CD1 3.84Å; F543-F1137 HydrophobicContact CZ-CD1 3.84Å; F543-H1139 HydrophobicContact CB-CB 4.23Å; F543-H1139 HydrophobicContact CD1-CB 3.74Å; F543-H1139 WeakPolarHBondContact CD1-O 3.2Å; F543-H1139 HydrophobicContact CE1-CB 4.3Å; F543-H1139 VanDerWaalsContact CE1-O 3.31Å; F543-H1139 WeakPolarHBondContact CE1-O 3.08Å; F543-H1139 HydrophobicContact CG-CB 3.99Å
544N75.1Confident87.4Confident18 Ų1827.5 Ų27.510%0.09615%0.148CC..  trans-128.9143.4169.7-175.6-15.9000109.3V546 R547 K548N544-V546 PolarHBondContact O-N 3.36Å; N544-V546 PolarHBondContact OD1-N 3.06Å; N544-R547 HydrophobicContact CB-CB 4.24Å; N544-R547 HydrophobicContact CB-CG 4.24Å; N544-R547 PolarHBondContact O-N 3.34Å; N544-R547 VanDerWaalsContact O-N 3.1Å; N544-K548 PolarHBondContact O-N 3.39Å
545N70.8Confident87.4Confident72 Ų7227.1 Ų27.139%0.38514%0.138SC..THydrogen-bonded Turntrans-57.2-28.5174.5-71.8-44.3000113.3K548 K683N545-K548 VanDerWaalsContact O-CG 3.32Å; N545-K548 WeakPolarHBondContact O-CG 3.45Å; N545-K683 WeakPolarHBondContact OD1-CE 3.2Å; N545-K683 PolarHBondContact OD1-NZ 3.46Å
546V77.4Confident87.2Confident117 Ų11727 Ų2771%0.70914%0.141SC*.THydrogen-bonded Turntrans-74.8-45.9174.6-176.70000110.6N544N544-V546 PolarHBondContact O-N 3.36Å; N544-V546 PolarHBondContact OD1-N 3.06Å
547R84.9Confident86.9Confident13 Ų1327.6 Ų27.65%0.04915%0.152CC..THydrogen-bonded Turntrans-75.5-28.6-177-66.3178.862.9-138.6-2113.8D542 N544 R549 I571 D636 E643D542-R547 PolarHBondContact O-NH1 3.09Å; N544-R547 HydrophobicContact CB-CB 4.24Å; N544-R547 HydrophobicContact CB-CG 4.24Å; N544-R547 PolarHBondContact O-N 3.34Å; N544-R547 VanDerWaalsContact O-N 3.1Å; R547-R549 HydrophobicContact CB-CG 4.36Å; R547-R549 PolarHBondContact O-N 2.88Å; R547-R549 VanDerWaalsContact O-N 3.12Å; R547-R549 PolarHBondContact O-NH1 2.94Å; R547-R549 VanDerWaalsContact O-NH1 3.12Å; R547-I571 WeakPolarHBondContact O-CG2 3.24Å; R547-D636 WeakPolarHBondContact CD-OD1 3.48Å; R547-E643 IonicContact CZ-OE2 3.77Å; R547-E643 IonicContact NH2-OE1 3.36Å; R547-E643 PolarHBondContact NH2-OE1 3.48Å; R547-E643 IonicContact NH2-OE2 2.66Å; R547-E643 PolarHBondContact NH2-OE2 2.96Å
548K87.7Confident86.8Confident63 Ų6331.8 Ų31.827%0.27417%0.174SC..  trans49.432.1-177.8-59.7-173.7176.8-162.30114.5N544 N545 G567 A568 I571 E685 Y1135N544-K548 PolarHBondContact O-N 3.39Å; N545-K548 VanDerWaalsContact O-CG 3.32Å; N545-K548 WeakPolarHBondContact O-CG 3.45Å; K548-G567 WeakPolarHBondContact O-CA 3.49Å; K548-A568 HydrophobicContact CB-CB 4.23Å; K548-A568 PolarHBondContact O-N 3.31Å; K548-I571 HydrophobicContact CB-CG1 4.07Å; K548-E685 IonicContact NZ-OE1 3.74Å; K548-E685 PolarHBondContact NZ-OE1 2.79Å; K548-Y1135 HydrophobicContact CB-CE1 4.17Å; K548-Y1135 WeakPolarHBondContact CB-OH 3.44Å; K548-Y1135 HydrophobicContact CD-CE1 3.93Å; K548-Y1135 HydrophobicContact CG-CE1 4.29Å; K548-Y1135 PolarHBondContact O-OH 3.19Å
549R91.5Very high86.6Confident3 Ų331 Ų311%0.01118%0.181CC..EExtended strand (participates in β ladder)trans-156161.3178.569-169.7179.6-88.51.8110.9R547 K566 I571 I572 E640 E643R547-R549 HydrophobicContact CB-CG 4.36Å; R547-R549 PolarHBondContact O-N 2.88Å; R547-R549 VanDerWaalsContact O-N 3.12Å; R547-R549 PolarHBondContact O-NH1 2.94Å; R547-R549 VanDerWaalsContact O-NH1 3.12Å; R549-K566 CarbonylContact C-O 3.56Å; R549-K566 VanDerWaalsContact CA-O 3.29Å; R549-K566 WeakPolarHBondContact CA-O 3.5Å; R549-K566 WeakPolarHBondContact CB-O 3.29Å; R549-I571 HydrophobicContact CG-CG2 4.48Å; R549-I572 HydrophobicContact CB-CD1 4.18Å; R549-E640 IonicContact CZ-OE2 2.76Å; R549-E640 IonicContact NH1-OE2 2.72Å; R549-E640 IonicContact NH2-OE1 2.73Å; R549-E640 IonicContact NH2-OE2 3.43Å; R549-E640 PolarHBondContact NH2-OE2 3.22Å; R549-E643 IonicContact CZ-OE2 3.82Å; R549-E643 IonicContact NE-OE1 2.93Å; R549-E643 IonicContact NE-OE2 2.78Å; R549-E643 PolarHBondContact NE-OE2 3.46Å; R549-E643 IonicContact NH2-OE2 3.76Å; R549-E643 PolarHBondContact NH2-OE2 2.85Å
550M91.6Very high86.7Confident1 Ų136.2 Ų36.21%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-132.6141.3174.4-177.2-166.9-178.200108.7T482 V540 F543 V552 C565 K566T482-M550 HydrophobicContact CG2-CE 3.55Å; V540-M550 HydrophobicContact CG1-CE 3.9Å; F543-M550 HydrophobicContact CB-CB 4.27Å; M550-V552 HydrophobicContact CE-CG2 4.12Å; M550-C565 WeakPolarHBondContact O-CA 3.31Å; M550-K566 HydrophobicContact CB-CG 4.35Å; M550-K566 PolarHBondContact N-O 2.85Å; M550-K566 PolarHBondContact O-N 3.4Å
551S94.1Very high86.9Confident0 Ų035.6 Ų35.60%020%0.197CC..EExtended strand (participates in β ladder)trans-134.5151176.1-49.70000112.3L541 Y564 C565 E643L541-S551 PolarHBondContact N-O 2.87Å; L541-S551 PolarHBondContact O-N 3.4Å; L541-S551 VanDerWaalsContact O-N 3.07Å; S551-Y564 CarbonylContact C-O 3.47Å; S551-Y564 WeakPolarHBondContact CA-O 3.48Å; S551-Y564 WeakPolarHBondContact CB-O 3.42Å; S551-C565 WeakPolarHBondContact OG-CB 3.43Å; S551-C565 PolarHBondContact OG-SG 3.25Å; S551-E643 VanDerWaalsContact CB-OE1 3.27Å; S551-E643 WeakPolarHBondContact CB-OE1 3.29Å; S551-E643 PolarHBondContact OG-OE1 3.26Å
552V93.5Very high87.1Confident1 Ų136.1 Ų36.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-132.8136.3174.6179.80000109C480 L537 V540 M550 V554 Y564C480-V552 HydrophobicContact CB-CB 4.42Å; C480-V552 HydrophobicContact CB-CG2 4.25Å; L537-V552 HydrophobicContact CD1-CG1 3.33Å; V540-V552 HydrophobicContact CG1-CG2 4.39Å; V540-V552 HydrophobicContact CG2-CG2 4.4Å; M550-V552 HydrophobicContact CE-CG2 4.12Å; V552-V554 HydrophobicContact CG1-CG1 3.82Å; V552-Y564 PolarHBondContact N-O 3.33Å; V552-Y564 PolarHBondContact O-N 3.5Å
553I93.5Very high87.7Confident0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-106.5122.3175-56.1176.4000108.1L538 A539 L541 L563 L609 M614 W617 I642L538-I553 HydrophobicContact CB-CB 4.33Å; L538-I553 HydrophobicContact CB-CG2 4.07Å; L538-I553 HydrophobicContact CD1-CG2 4.05Å; L538-I553 PolarHBondContact N-O 3.09Å; A539-I553 HydrophobicContact CB-CB 4.35Å; A539-I553 HydrophobicContact CB-CD1 4.16Å; A539-I553 HydrophobicContact CB-CG1 4.44Å; A539-I553 PolarHBondContact N-O 3.49Å; A539-I553 PolarHBondContact O-N 2.79Å; L541-I553 HydrophobicContact CD1-CD1 4.13Å; L541-I553 HydrophobicContact CD1-CG1 4.19Å; I553-L563 HydrophobicContact CD1-CD1 4Å; I553-L563 HydrophobicContact CG1-CB 4.47Å; I553-L563 HydrophobicContact CG1-CD1 3.46Å; I553-L563 VanDerWaalsContact CG1-CD1 3.46Å; I553-L609 HydrophobicContact CD1-CD1 4.2Å; I553-L609 HydrophobicContact CG1-CD1 4.45Å; I553-L609 HydrophobicContact CG2-CD1 3.93Å; I553-M614 HydrophobicContact CD1-CE 3.85Å; I553-M614 HydrophobicContact CD1-SD 4.13Å; I553-M614 HydrophobicContact CG2-CE 4.21Å; I553-M614 HydrophobicContact CG2-SD 4.33Å; I553-W617 HydrophobicContact CD1-CZ3 4.45Å; I553-I642 HydrophobicContact CD1-CD1 3.64Å
554V93.4Very high88.3Confident1 Ų135.5 Ų35.51%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-127.9148.6178.5-60.90000111.8L479 Y535 E536 L537 V552 M561 T562 Y564L479-V554 HydrophobicContact CD1-CG2 4.23Å; Y535-V554 HydrophobicContact CD1-CB 4.26Å; Y535-V554 HydrophobicContact CD1-CG2 3.97Å; E536-V554 CarbonylContact O-C 3.57Å; E536-V554 WeakPolarHBondContact O-CA 3.45Å; L537-V554 HydrophobicContact CD1-CG1 4.3Å; V552-V554 HydrophobicContact CG1-CG1 3.82Å; V554-M561 WeakPolarHBondContact O-CA 3.39Å; V554-T562 PolarHBondContact N-O 3Å; V554-T562 PolarHBondContact O-N 2.82Å; V554-Y564 HydrophobicContact CG2-CD2 3.87Å; V554-Y564 HydrophobicContact CG2-CE2 3.67Å
555R92.9Very high89.3Confident63 Ų6334.6 Ų34.624%0.23819%0.191CC..EExtended strand (participates in β ladder)trans-100.5121.7164.3-171.4-173.9-73.8139.1-7.7108.8E536 L538 M561 E611E536-R555 HydrophobicContact CB-CB 4.15Å; E536-R555 PolarHBondContact N-O 2.87Å; E536-R555 PolarHBondContact O-N 3.13Å; E536-R555 IonicContact OE1-NH1 3.04Å; E536-R555 PolarHBondContact OE1-NH1 3.13Å; E536-R555 VanDerWaalsContact OE1-NH1 3.08Å; E536-R555 WeakPolarHBondContact OE2-CD 3.43Å; E536-R555 IonicContact OE2-CZ 2.67Å; E536-R555 IonicContact OE2-NE 3.96Å; E536-R555 IonicContact OE2-NH1 3.85Å; E536-R555 PolarHBondContact OE2-NH1 3.24Å; L538-R555 HydrophobicContact CD1-CB 4.28Å; R555-M561 HydrophobicContact CB-CG 4.19Å; R555-M561 HydrophobicContact CG-CG 4.23Å; R555-E611 IonicContact CZ-OE1 3.96Å; R555-E611 IonicContact NE-OE1 3.27Å; R555-E611 IonicContact NH2-OE1 3.49Å; R555-E611 PolarHBondContact NH2-OE1 3.07Å
556G88.8Confident90.4Very high10 Ų1031.4 Ų31.410%0.10317%0.174CC..  trans-77.2168.717900000113.2D558 G559 K560G556-D558 PolarHBondContact O-N 3.39Å; G556-G559 PolarHBondContact O-N 3.35Å; G556-K560 PolarHBondContact N-O 3.41Å
557P84.7Confident91.1Very high94 Ų9425.9 Ų25.961%0.6114%0.141SC*.THydrogen-bonded Turntrans-63.6-21.6175.330.4-39.2000112.8V533 G559V533-P557 HydrophobicContact CG1-CB 4.43Å; V533-P557 HydrophobicContact CG1-CG 3.67Å; P557-G559 PolarHBondContact O-N 2.84Å
558D84.5Confident91.4Very high99 Ų9925.3 Ų25.353%0.52914%0.139SC..THydrogen-bonded Turntrans-79.83.9173.367.3-24.4000113.1G556 K560G556-D558 PolarHBondContact O-N 3.39Å; D558-K560 PolarHBondContact O-N 2.91Å; D558-K560 PolarHBondContact OD1-N 2.82Å; D558-K560 WeakPolarHBondContact OD2-CD 3.43Å; D558-K560 VanDerWaalsContact OD2-CE 3.26Å; D558-K560 WeakPolarHBondContact OD2-CE 3.44Å; D558-K560 WeakPolarHBondContact OD2-CG 3.44Å; D558-K560 IonicContact OD2-NZ 3.19Å; D558-K560 PolarHBondContact OD2-NZ 2.84Å
559G83.8Confident91.4Very high42 Ų4223 Ų2343%0.43313%0.13SC..SBendtrans77.5-0.4-178.500000114.2G556 P557G556-G559 PolarHBondContact O-N 3.35Å; P557-G559 PolarHBondContact O-N 2.84Å
560K88.4Confident91.3Very high119 Ų11926.6 Ų26.652%0.51715%0.152SC..  trans-81.4131-178.3-66.2-175.3-162.1146.10111.4G556 D558G556-K560 PolarHBondContact N-O 3.41Å; D558-K560 PolarHBondContact O-N 2.91Å; D558-K560 PolarHBondContact OD1-N 2.82Å; D558-K560 WeakPolarHBondContact OD2-CD 3.43Å; D558-K560 VanDerWaalsContact OD2-CE 3.26Å; D558-K560 WeakPolarHBondContact OD2-CE 3.44Å; D558-K560 WeakPolarHBondContact OD2-CG 3.44Å; D558-K560 IonicContact OD2-NZ 3.19Å; D558-K560 PolarHBondContact OD2-NZ 2.84Å
561M92.1Very high91.2Very high6 Ų628 Ų283%0.0316%0.159CC..EExtended strand (participates in β ladder)trans-85127169.2-71.5-162.6-126.600111.6L538 V554 R555 H608 L609 E611 M614L538-M561 HydrophobicContact CD1-CE 4.48Å; L538-M561 HydrophobicContact CD1-CG 3.92Å; L538-M561 HydrophobicContact CD1-SD 3.33Å; L538-M561 WeakPolarHBondContact CD1-SD 3.34Å; V554-M561 WeakPolarHBondContact O-CA 3.39Å; R555-M561 HydrophobicContact CB-CG 4.19Å; R555-M561 HydrophobicContact CG-CG 4.23Å; M561-H608 WeakPolarHBondContact O-CA 3.5Å; M561-L609 HydrophobicContact CB-CB 4.13Å; M561-L609 PolarHBondContact O-N 3.42Å; M561-E611 HydrophobicContact CE-CB 4.3Å; M561-E611 HydrophobicContact CE-CG 4Å; M561-E611 WeakPolarHBondContact CE-OE1 3.41Å; M561-E611 WeakPolarHBondContact CE-OE2 3.21Å; M561-M614 HydrophobicContact CE-CB 3.99Å; M561-M614 HydrophobicContact CE-CG 4.26Å; M561-M614 HydrophobicContact SD-CB 3.77Å; M561-M614 HydrophobicContact SD-CG 3.61Å
562T94.3Very high91.2Very high10 Ų1028 Ų286%0.06116%0.159CC..EExtended strand (participates in β ladder)trans-130.8125.6-179.7-52.10000110.1V554 Y564 Y606 K607 H608V554-T562 PolarHBondContact N-O 3Å; V554-T562 PolarHBondContact O-N 2.82Å; T562-Y564 HydrophobicContact CG2-CD1 4.19Å; T562-Y564 HydrophobicContact CG2-CD2 4.35Å; T562-Y564 HydrophobicContact CG2-CE1 3.78Å; T562-Y564 HydrophobicContact CG2-CE2 3.93Å; T562-Y564 HydrophobicContact CG2-CG 4.47Å; T562-Y606 HydrophobicContact CG2-CD2 4.03Å; T562-K607 WeakPolarHBondContact CA-O 3.32Å; T562-H608 PolarHBondContact OG1-ND1 2.98Å; T562-H608 VanDerWaalsContact OG1-ND1 3.12Å
563L95.1Very high91.1Very high0 Ų029.8 Ų29.80%017%0.166CC..EExtended strand (participates in β ladder)trans-82.4123.5164.4176.985.1000107.8I553 Y606 K607 L609 E643 M646I553-L563 HydrophobicContact CD1-CD1 4Å; I553-L563 HydrophobicContact CG1-CB 4.47Å; I553-L563 HydrophobicContact CG1-CD1 3.46Å; I553-L563 VanDerWaalsContact CG1-CD1 3.46Å; L563-Y606 CarbonylContact O-C 3.52Å; L563-Y606 WeakPolarHBondContact O-CA 3.41Å; L563-Y606 WeakPolarHBondContact O-CB 3.5Å; L563-K607 HydrophobicContact CB-CB 4.29Å; L563-K607 HydrophobicContact CD2-CB 4.23Å; L563-K607 PolarHBondContact N-O 2.9Å; L563-K607 PolarHBondContact O-N 3.09Å; L563-L609 HydrophobicContact CB-CD1 4.17Å; L563-L609 HydrophobicContact CB-CG 4.37Å; L563-E643 HydrophobicContact CD2-CG 4.28Å; L563-M646 HydrophobicContact CD2-CG 4.34Å; L563-M646 HydrophobicContact CD2-SD 3.98Å
564Y96.1Very high91.1Very high13 Ų1336.7 Ų36.75%0.05120%0.198CC..EExtended strand (participates in β ladder)trans-108.5131.3171.2-75-58.4000109.2R475 L476 L479 S551 V552 V554 T562R475-Y564 WeakPolarHBondContact CD-OH 3.15Å; L476-Y564 HydrophobicContact CB-CD1 3.78Å; L476-Y564 HydrophobicContact CB-CE1 4.17Å; L476-Y564 HydrophobicContact CB-CG 4.37Å; L476-Y564 HydrophobicContact CD1-CD1 3.78Å; L476-Y564 HydrophobicContact CD1-CG 4.49Å; L476-Y564 HydrophobicContact CG-CD1 3.69Å; L476-Y564 HydrophobicContact CG-CG 4.07Å; L479-Y564 HydrophobicContact CB-CD2 4.49Å; L479-Y564 HydrophobicContact CD1-CD2 4.14Å; L479-Y564 HydrophobicContact CD1-CE2 3.67Å; S551-Y564 CarbonylContact C-O 3.47Å; S551-Y564 WeakPolarHBondContact CA-O 3.48Å; S551-Y564 WeakPolarHBondContact CB-O 3.42Å; V552-Y564 PolarHBondContact N-O 3.33Å; V552-Y564 PolarHBondContact O-N 3.5Å; V554-Y564 HydrophobicContact CG2-CD2 3.87Å; V554-Y564 HydrophobicContact CG2-CE2 3.67Å; T562-Y564 HydrophobicContact CG2-CD1 4.19Å; T562-Y564 HydrophobicContact CG2-CD2 4.35Å; T562-Y564 HydrophobicContact CG2-CE1 3.78Å; T562-Y564 HydrophobicContact CG2-CE2 3.93Å; T562-Y564 HydrophobicContact CG2-CG 4.47Å
565C95.4Very high91Very high0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-132.8137.3-177.1-172.30000111.2M550 S551 I572 A605 M646M550-C565 WeakPolarHBondContact O-CA 3.31Å; S551-C565 WeakPolarHBondContact OG-CB 3.43Å; S551-C565 PolarHBondContact OG-SG 3.25Å; C565-I572 WeakPolarHBondContact SG-CD1 3.34Å; C565-A605 PolarHBondContact N-O 3.1Å; C565-A605 PolarHBondContact O-N 3.07Å; C565-A605 VanDerWaalsContact O-O 3.07Å; C565-M646 HydrophobicContact CB-CE 4.23Å; C565-M646 HydrophobicContact CB-SD 3.56Å; C565-M646 VanDerWaalsContact CB-SD 3.56Å
566K94.8Very high91.1Very high4 Ų435.7 Ų35.72%0.01720%0.196CC..EExtended strand (participates in β ladder)trans-132137.9171.668.5-175-174.2-175.80110.6L476 C480 E502 R549 M550 V603 L604L476-K566 HydrophobicContact CD2-CB 4.43Å; C480-K566 WeakPolarHBondContact O-CD 3.46Å; C480-K566 WeakPolarHBondContact O-CE 3.36Å; C480-K566 PolarHBondContact O-NZ 2.75Å; E502-K566 VanDerWaalsContact CD-NZ 3.31Å; E502-K566 WeakPolarHBondContact OE1-CE 3.25Å; E502-K566 IonicContact OE1-NZ 2.98Å; E502-K566 PolarHBondContact OE1-NZ 3.28Å; R549-K566 CarbonylContact C-O 3.56Å; R549-K566 VanDerWaalsContact CA-O 3.29Å; R549-K566 WeakPolarHBondContact CA-O 3.5Å; R549-K566 WeakPolarHBondContact CB-O 3.29Å; M550-K566 HydrophobicContact CB-CG 4.35Å; M550-K566 PolarHBondContact N-O 2.85Å; M550-K566 PolarHBondContact O-N 3.4Å; K566-V603 WeakPolarHBondContact CA-O 3.46Å; K566-L604 HydrophobicContact CB-CD2 3.45Å; K566-L604 VanDerWaalsContact CB-CD2 3.45Å
567G92.6Very high91.3Very high2 Ų238 Ų382%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-177.7-167.1-178.900000115.1K548 V603K548-G567 WeakPolarHBondContact O-CA 3.49Å; G567-V603 PolarHBondContact N-O 3.27Å; G567-V603 PolarHBondContact O-N 3.45Å
568A89.9Confident91.4Very high0 Ų040.5 Ų40.50%021%0.209CC..  trans-63.4144.4176.200000112.3K548 T570 I571 I572 Y1135K548-A568 HydrophobicContact CB-CB 4.23Å; K548-A568 PolarHBondContact O-N 3.31Å; A568-T570 VanDerWaalsContact C-N 3.34Å; A568-T570 PolarHBondContact O-N 2.87Å; A568-I571 HydrophobicContact CB-CB 4.26Å; A568-I571 HydrophobicContact CB-CG1 4.07Å; A568-I571 PolarHBondContact O-N 2.93Å; A568-I572 WeakPolarHBondContact O-CB 3.32Å; A568-I572 VanDerWaalsContact O-CG1 3.3Å; A568-I572 WeakPolarHBondContact O-CG1 3.45Å; A568-I572 PolarHBondContact O-N 2.68Å; A568-Y1135 HydrophobicContact CB-CD1 3.71Å; A568-Y1135 HydrophobicContact CB-CD2 3.45Å; A568-Y1135 VanDerWaalsContact CB-CD2 3.45Å; A568-Y1135 HydrophobicContact CB-CE1 3.84Å; A568-Y1135 HydrophobicContact CB-CE2 3.56Å; A568-Y1135 HydrophobicContact CB-CG 3.49Å; A568-Y1135 VanDerWaalsContact CB-CG 3.49Å
569D88.8Confident91.6Very high16 Ų1639.9 Ų39.99%0.08621%0.212CC..Hα-helixtrans-58.2-44.7175.260.5-27.7000112.2I571 Y573 L591 V603 S1133D569-I571 PolarHBondContact O-N 3.48Å; D569-Y573 HydrophobicContact CB-CE2 4.3Å; D569-Y573 WeakPolarHBondContact O-CB 3.44Å; D569-Y573 PolarHBondContact O-N 2.93Å; D569-L591 HydrophobicContact CB-CD1 3.82Å; D569-V603 HydrophobicContact CB-CG2 3.59Å; D569-S1133 PolarHBondContact OD1-OG 3.43Å; D569-S1133 VanDerWaalsContact OD2-CB 3.23Å; D569-S1133 WeakPolarHBondContact OD2-CB 3.43Å; D569-S1133 PolarHBondContact OD2-OG 3.41Å; D569-S1133 VanDerWaalsContact OD2-OG 3.05Å
570T88.3Confident91.7Very high78 Ų7838.3 Ų38.348%0.47920%0.195SC..Hα-helixtrans-60.6-31.5177.854.70000113.5A568 E574A568-T570 VanDerWaalsContact C-N 3.34Å; A568-T570 PolarHBondContact O-N 2.87Å; T570-E574 WeakPolarHBondContact O-CG 3.26Å
571I91.3Very high91.7Very high29 Ų2938.5 Ų38.515%0.14920%0.195CC..Hα-helixtrans-89.2-45.9-178.6-61.6-54.9000111.2R547 K548 R549 A568 D569 R575R547-I571 WeakPolarHBondContact O-CG2 3.24Å; K548-I571 HydrophobicContact CB-CG1 4.07Å; R549-I571 HydrophobicContact CG-CG2 4.48Å; A568-I571 HydrophobicContact CB-CB 4.26Å; A568-I571 HydrophobicContact CB-CG1 4.07Å; A568-I571 PolarHBondContact O-N 2.93Å; D569-I571 PolarHBondContact O-N 3.48Å; I571-R575 PolarHBondContact O-NH1 2.97Å
572I92.9Very high91.5Very high0 Ų048.5 Ų48.50%023%0.233CC..Hα-helixtrans-67.5-40-177.3-62.5-63.9000110.2R549 C565 A568 E574 R575 L576 V603 A605 M646R549-I572 HydrophobicContact CB-CD1 4.18Å; C565-I572 WeakPolarHBondContact SG-CD1 3.34Å; A568-I572 WeakPolarHBondContact O-CB 3.32Å; A568-I572 VanDerWaalsContact O-CG1 3.3Å; A568-I572 WeakPolarHBondContact O-CG1 3.45Å; A568-I572 PolarHBondContact O-N 2.68Å; I572-E574 VanDerWaalsContact C-N 3.28Å; I572-E574 PolarHBondContact O-N 3.43Å; I572-R575 CarbonylContact O-C 3.59Å; I572-R575 PolarHBondContact O-N 3.42Å; I572-L576 HydrophobicContact CG2-CD2 4.09Å; I572-L576 HydrophobicContact CG2-CG 4.34Å; I572-L576 WeakPolarHBondContact O-CG 3.38Å; I572-L576 PolarHBondContact O-N 3.41Å; I572-V603 HydrophobicContact CB-CB 4.2Å; I572-V603 HydrophobicContact CB-CG1 4.07Å; I572-V603 HydrophobicContact CG1-CB 4.38Å; I572-V603 HydrophobicContact CG2-CB 4.32Å; I572-V603 HydrophobicContact CG2-CG1 3.68Å; I572-A605 HydrophobicContact CG2-CB 3.88Å; I572-M646 HydrophobicContact CD1-CE 4.12Å; I572-M646 HydrophobicContact CG2-CE 4.4Å
573Y92.3Very high91.3Very high40 Ų4049.5 Ų49.516%0.15724%0.238CC..G310 helixtrans-62.7-30.6-177.5-72.9-2.9000114.2D569 R575 L576 M584 T588 L591 V603 L648D569-Y573 HydrophobicContact CB-CE2 4.3Å; D569-Y573 WeakPolarHBondContact O-CB 3.44Å; D569-Y573 PolarHBondContact O-N 2.93Å; Y573-R575 PolarHBondContact O-N 2.86Å; Y573-L576 HydrophobicContact CD1-CD1 3.61Å; Y573-L576 HydrophobicContact CE1-CD1 4.17Å; Y573-L576 HydrophobicContact CG-CD1 4.46Å; Y573-M584 HydrophobicContact CD1-CG 4.14Å; Y573-M584 HydrophobicContact CD2-CG 3.81Å; Y573-M584 HydrophobicContact CD2-SD 4.05Å; Y573-M584 HydrophobicContact CE1-CG 4.07Å; Y573-M584 HydrophobicContact CE2-CG 3.74Å; Y573-M584 HydrophobicContact CG-CG 3.99Å; Y573-M584 HydrophobicContact CG-SD 4.03Å; Y573-T588 WeakPolarHBondContact CE2-OG1 3.38Å; Y573-L591 HydrophobicContact CE2-CD1 4.49Å; Y573-L591 VanDerWaalsContact OH-CD1 3.24Å; Y573-L591 WeakPolarHBondContact OH-CD1 3.45Å; Y573-V603 HydrophobicContact CD1-CG1 4.3Å; Y573-V603 HydrophobicContact CE1-CG1 3.82Å; Y573-V603 HydrophobicContact CE1-CG2 4.06Å; Y573-L648 HydrophobicContact CE1-CD1 4.4Å; Y573-L648 HydrophobicContact CE1-CD2 4.42Å
574E91.9Very high91Very high145 Ų14552.1 Ų52.168%0.67825%0.25SS*.G310 helixtrans-67.8-19.8174.2-67.8174.8166.700113.2T570 I572T570-E574 WeakPolarHBondContact O-CG 3.26Å; I572-E574 VanDerWaalsContact C-N 3.28Å; I572-E574 PolarHBondContact O-N 3.43Å
575R93.3Very high90.7Very high27 Ų2759.1 Ų59.110%0.10228%0.281CS..G310 helixtrans-110.44.5-173.1-66.2165.9-17769.60.2112.8I571 I572 Y573 E640 E643 D645 M646I571-R575 PolarHBondContact O-NH1 2.97Å; I572-R575 CarbonylContact O-C 3.59Å; I572-R575 PolarHBondContact O-N 3.42Å; Y573-R575 PolarHBondContact O-N 2.86Å; R575-E640 IonicContact CZ-OE1 3.07Å; R575-E640 IonicContact CZ-OE2 2.77Å; R575-E640 IonicContact NE-OE1 2.67Å; R575-E640 PolarHBondContact NE-OE1 3.39Å; R575-E640 IonicContact NE-OE2 2.66Å; R575-E640 IonicContact NH2-OE1 2.96Å; R575-E640 PolarHBondContact NH2-OE1 3.06Å; R575-E640 IonicContact NH2-OE2 2.76Å; R575-E640 PolarHBondContact NH2-OE2 2.89Å; R575-E640 VanDerWaalsContact NH2-OE2 3.08Å; R575-E643 WeakPolarHBondContact CB-O 3.49Å; R575-D645 PolarHBondContact O-N 2.79Å; R575-M646 HydrophobicContact CB-CE 3.82Å; R575-M646 PolarHBondContact O-N 2.84Å
576L93.7Very high90.5Very high16 Ų1662.2 Ų62.28%0.08430%0.3CS..BIsolated β-bridgetrans-80.7146.8176.2-68.7178.1000111.6I572 Y573 C580 A605 M646 L648I572-L576 HydrophobicContact CG2-CD2 4.09Å; I572-L576 HydrophobicContact CG2-CG 4.34Å; I572-L576 WeakPolarHBondContact O-CG 3.38Å; I572-L576 PolarHBondContact O-N 3.41Å; Y573-L576 HydrophobicContact CD1-CD1 3.61Å; Y573-L576 HydrophobicContact CE1-CD1 4.17Å; Y573-L576 HydrophobicContact CG-CD1 4.46Å; L576-C580 HydrophobicContact CB-CB 4.46Å; L576-C580 HydrophobicContact CD1-CB 4.42Å; L576-A605 HydrophobicContact CD2-CB 3.91Å; L576-M646 CarbonylContact C-O 3.57Å; L576-M646 VanDerWaalsContact CA-O 3.3Å; L576-M646 WeakPolarHBondContact CA-O 3.44Å; L576-M646 HydrophobicContact CD2-CB 4.3Å; L576-M646 WeakPolarHBondContact CD2-O 3.44Å; L576-L648 HydrophobicContact CD1-CB 3.86Å; L576-L648 HydrophobicContact CD1-CD1 4.32Å; L576-L648 HydrophobicContact CD1-CD2 4.14Å; L576-L648 HydrophobicContact CD1-CG 4.34Å; L576-L648 HydrophobicContact CD2-CB 3.93Å
577D92.4Very high90.4Very high58 Ų5862 Ų6231%0.3130%0.299SS..  trans-62.3145.1169.3-175.7-84.3000111.2S579 C580 M646 I647D577-S579 PolarHBondContact O-N 3.03Å; D577-S579 VanDerWaalsContact O-N 3.1Å; D577-S579 WeakPolarHBondContact OD1-CB 3.25Å; D577-S579 PolarHBondContact OD1-N 3.21Å; D577-S579 PolarHBondContact OD1-OG 3.24Å; D577-C580 WeakPolarHBondContact O-CB 3.48Å; D577-C580 PolarHBondContact O-N 3.05Å; D577-M646 PolarHBondContact N-O 3.43Å; D577-I647 HydrophobicContact CB-CD1 3.96Å
578H88.5Confident90.3Very high146 Ų14664.1 Ų64.168%0.67631%0.311SS*.G310 helixtrans-60.4-22.4-178-76.6-34.5000114.7C580 K581H578-C580 PolarHBondContact O-N 3Å; H578-K581 WeakPolarHBondContact O-CG 3.12Å; H578-K581 PolarHBondContact O-N 3.47Å
579S88.1Confident90.2Very high87 Ų8766 Ų6661%0.60833%0.33SS*.G310 helixtrans-57.8-26.6172.758.80000113D577 K581D577-S579 PolarHBondContact O-N 3.03Å; D577-S579 VanDerWaalsContact O-N 3.1Å; D577-S579 WeakPolarHBondContact OD1-CB 3.25Å; D577-S579 PolarHBondContact OD1-N 3.21Å; D577-S579 PolarHBondContact OD1-OG 3.24Å; S579-K581 VanDerWaalsContact C-N 3.31Å; S579-K581 PolarHBondContact O-N 3.4Å
580C86.3Confident90.3Very high9 Ų966.7 Ų66.76%0.06133%0.333CS..G310 helixtrans-80.6-1.4-176.4-65.90000114.4L576 D577 H578 R582 L583 M584 L648L576-C580 HydrophobicContact CB-CB 4.46Å; L576-C580 HydrophobicContact CD1-CB 4.42Å; D577-C580 WeakPolarHBondContact O-CB 3.48Å; D577-C580 PolarHBondContact O-N 3.05Å; H578-C580 PolarHBondContact O-N 3Å; C580-R582 VanDerWaalsContact C-N 3.3Å; C580-R582 PolarHBondContact O-N 2.78Å; C580-R582 VanDerWaalsContact O-N 3.14Å; C580-L583 PolarHBondContact O-N 3.42Å; C580-L583 VanDerWaalsContact O-N 3.14Å; C580-M584 WeakPolarHBondContact O-CB 3.48Å; C580-M584 PolarHBondContact O-N 3.34Å; C580-L648 HydrophobicContact CB-CB 4.19Å; C580-L648 PolarHBondContact SG-N 3.36Å; C580-L648 VanDerWaalsContact SG-N 3.45Å
581K87.2Confident90.3Very high123 Ų12363.1 Ų63.154%0.53531%0.311SS..Hα-helixtrans-53.8-38.7-173.3-83.1179.7-177.6176.60114.7H578 S579 K585H578-K581 WeakPolarHBondContact O-CG 3.12Å; H578-K581 PolarHBondContact O-N 3.47Å; S579-K581 VanDerWaalsContact C-N 3.31Å; S579-K581 PolarHBondContact O-N 3.4Å; K581-K585 PolarHBondContact O-N 3.4Å
582R88.2Confident90Very high216 Ų21662.9 Ų62.982%0.81531%0.31SS*.Hα-helixtrans-69.5-48.4179.3-171.7177.978.4139.61.9111.1C580 M584 K585 V586C580-R582 VanDerWaalsContact C-N 3.3Å; C580-R582 PolarHBondContact O-N 2.78Å; C580-R582 VanDerWaalsContact O-N 3.14Å; R582-M584 VanDerWaalsContact C-N 3.32Å; R582-M584 PolarHBondContact O-N 3.04Å; R582-K585 PolarHBondContact O-N 3Å; R582-V586 PolarHBondContact O-N 3.39Å
583L90.2Very high89.5Confident31 Ų3165 Ų6516%0.16232%0.32CS..Hα-helixtrans-63.4-41.2179.7-177.361.6000111C580 K585 V586 T587 L648C580-L583 PolarHBondContact O-N 3.42Å; C580-L583 VanDerWaalsContact O-N 3.14Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 2.96Å; L583-V586 PolarHBondContact O-N 3.46Å; L583-V586 VanDerWaalsContact O-N 3.16Å; L583-T587 PolarHBondContact O-N 3.16Å; L583-T587 PolarHBondContact O-OG1 3.3Å; L583-T587 VanDerWaalsContact O-OG1 3.09Å; L583-L648 HydrophobicContact CB-CD2 4.37Å; L583-L648 HydrophobicContact CD2-CB 4.16Å; L583-L648 HydrophobicContact CD2-CD2 4.04Å; L583-L648 HydrophobicContact CD2-CG 4.01Å; L583-L648 WeakPolarHBondContact CD2-O 3.41Å; L583-L648 HydrophobicContact CG-CD2 3.84Å; L583-L648 HydrophobicContact CG-CG 4.34Å
584M89.4Confident89.2Confident55 Ų5563 Ų6327%0.27131%0.312SS..Hα-helixtrans-53.7-46175-173.3-173.576.900111.8Y573 C580 R582 V586 T587 T588 L648Y573-M584 HydrophobicContact CD1-CG 4.14Å; Y573-M584 HydrophobicContact CD2-CG 3.81Å; Y573-M584 HydrophobicContact CD2-SD 4.05Å; Y573-M584 HydrophobicContact CE1-CG 4.07Å; Y573-M584 HydrophobicContact CE2-CG 3.74Å; Y573-M584 HydrophobicContact CG-CG 3.99Å; Y573-M584 HydrophobicContact CG-SD 4.03Å; C580-M584 WeakPolarHBondContact O-CB 3.48Å; C580-M584 PolarHBondContact O-N 3.34Å; R582-M584 VanDerWaalsContact C-N 3.32Å; R582-M584 PolarHBondContact O-N 3.04Å; M584-V586 PolarHBondContact O-N 3.46Å; M584-T587 PolarHBondContact O-N 2.86Å; M584-T588 VanDerWaalsContact O-CB 3.3Å; M584-T588 WeakPolarHBondContact O-CB 3.4Å; M584-T588 PolarHBondContact O-N 2.65Å; M584-T588 PolarHBondContact O-OG1 3.43Å; M584-L648 HydrophobicContact CB-CD2 4.44Å
585K88.9Confident88.6Confident160 Ų16056.7 Ų56.770%0.69629%0.285SS*.Hα-helixtrans-61.8-41.6178.6-74.1-176.4-179.5-1770112.9K581 R582 L583 G589K581-K585 PolarHBondContact O-N 3.4Å; R582-K585 PolarHBondContact O-N 3Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 2.96Å; K585-G589 PolarHBondContact O-N 3.31Å
586V92.1Very high87.4Confident65 Ų6556.4 Ų56.439%0.39429%0.29SS..Hα-helixtrans-68.6-50.1179.3178.60000110.3G417 R582 L583 M584 T588 G589 H590G417-V586 WeakPolarHBondContact O-CG1 3.38Å; R582-V586 PolarHBondContact O-N 3.39Å; L583-V586 PolarHBondContact O-N 3.46Å; L583-V586 VanDerWaalsContact O-N 3.16Å; M584-V586 PolarHBondContact O-N 3.46Å; V586-T588 VanDerWaalsContact C-N 3.27Å; V586-T588 PolarHBondContact O-N 2.99Å; V586-G589 WeakPolarHBondContact O-CA 3.31Å; V586-G589 PolarHBondContact O-N 3.43Å; V586-H590 PolarHBondContact O-N 3.07Å
587T92.3Very high86.5Confident0 Ų058.2 Ų58.20%030%0.3CS..Hα-helixtrans-60.9-35.8177.5-54.40000111.8L583 M584 G589 H590 L591 A651L583-T587 PolarHBondContact O-N 3.16Å; L583-T587 PolarHBondContact O-OG1 3.3Å; L583-T587 VanDerWaalsContact O-OG1 3.09Å; M584-T587 PolarHBondContact O-N 2.86Å; T587-G589 VanDerWaalsContact C-N 3.28Å; T587-G589 PolarHBondContact O-N 2.9Å; T587-H590 PolarHBondContact O-N 3.25Å; T587-L591 HydrophobicContact CG2-CD1 4.35Å; T587-L591 HydrophobicContact CG2-CG 4.42Å; T587-L591 WeakPolarHBondContact O-CG 3.21Å; T587-L591 PolarHBondContact O-N 3.24Å; T587-A651 HydrophobicContact CG2-CB 3.91Å
588T90.1Very high85.6Confident45 Ų4555.7 Ų55.728%0.27629%0.287SS..Hα-helixtrans-60.6-38.5172.6-56.20000111.4Y573 M584 V586 L591 N592Y573-T588 WeakPolarHBondContact CE2-OG1 3.38Å; M584-T588 VanDerWaalsContact O-CB 3.3Å; M584-T588 WeakPolarHBondContact O-CB 3.4Å; M584-T588 PolarHBondContact O-N 2.65Å; M584-T588 PolarHBondContact O-OG1 3.43Å; V586-T588 VanDerWaalsContact C-N 3.27Å; V586-T588 PolarHBondContact O-N 2.99Å; T588-L591 PolarHBondContact O-N 2.83Å; T588-N592 PolarHBondContact O-N 3.45Å; T588-N592 VanDerWaalsContact O-N 3.11Å; T588-N592 PolarHBondContact O-ND2 3.47Å
589G87.7Confident85.4Confident39 Ų3949 Ų4940%0.40226%0.257SS..Hα-helixtrans-58.1-49.2173.500000112K585 V586 T587 N592 E593K585-G589 PolarHBondContact O-N 3.31Å; V586-G589 WeakPolarHBondContact O-CA 3.31Å; V586-G589 PolarHBondContact O-N 3.43Å; T587-G589 VanDerWaalsContact C-N 3.28Å; T587-G589 PolarHBondContact O-N 2.9Å; G589-N592 PolarHBondContact O-N 3.46Å; G589-E593 PolarHBondContact O-N 3.18Å
590H91Very high85.4Confident32 Ų3245.3 Ų45.315%0.14823%0.229CC..Hα-helixtrans-64.6-41.4177.8-56.5159.7000112.6S414 G417 V586 T587 N592 E593 Y594S414-H590 WeakPolarHBondContact CB-ND1 3.41Å; S414-H590 PolarHBondContact OG-ND1 3.36Å; G417-H590 PolarHBondContact O-CE1 2.98Å; V586-H590 PolarHBondContact O-N 3.07Å; T587-H590 PolarHBondContact O-N 3.25Å; H590-N592 VanDerWaalsContact C-N 3.35Å; H590-N592 PolarHBondContact O-N 2.99Å; H590-E593 VanDerWaalsContact O-CB 3.32Å; H590-E593 WeakPolarHBondContact O-CB 3.27Å; H590-E593 PolarHBondContact O-N 3.11Å; H590-E593 VanDerWaalsContact O-N 3.13Å; H590-Y594 HydrophobicContact CB-CE1 4.44Å; H590-Y594 HydrophobicContact CB-CE2 4.16Å; H590-Y594 WeakPolarHBondContact O-CD1 3.39Å; H590-Y594 WeakPolarHBondContact O-CD2 3.4Å; H590-Y594 PolarHBondContact O-N 3.26Å
591L88.9Confident85.6Confident2 Ų244.9 Ų44.91%0.0123%0.227CC..Hα-helixtrans-59.7-42.5177.5-75.5172.3000112.7D569 Y573 T587 T588 E593 Y594 A595 T601 V603 A651D569-L591 HydrophobicContact CB-CD1 3.82Å; Y573-L591 HydrophobicContact CE2-CD1 4.49Å; Y573-L591 VanDerWaalsContact OH-CD1 3.24Å; Y573-L591 WeakPolarHBondContact OH-CD1 3.45Å; T587-L591 HydrophobicContact CG2-CD1 4.35Å; T587-L591 HydrophobicContact CG2-CG 4.42Å; T587-L591 WeakPolarHBondContact O-CG 3.21Å; T587-L591 PolarHBondContact O-N 3.24Å; T588-L591 PolarHBondContact O-N 2.83Å; L591-E593 VanDerWaalsContact C-N 3.25Å; L591-E593 PolarHBondContact O-N 3.43Å; L591-Y594 HydrophobicContact CD2-CD2 4.44Å; L591-Y594 PolarHBondContact O-N 3.3Å; L591-A595 WeakPolarHBondContact O-CB 3.35Å; L591-A595 PolarHBondContact O-N 3.49Å; L591-T601 VanDerWaalsContact CD2-CB 3.44Å; L591-T601 HydrophobicContact CD2-CG2 3.72Å; L591-V603 HydrophobicContact CD1-CG2 3.9Å; L591-A651 HydrophobicContact CD2-CB 3.67Å; L591-A651 HydrophobicContact CG-CB 4.23Å
592N83.9Confident85.9Confident24 Ų2439.3 Ų39.313%0.12820%0.203CC..Hα-helixtrans-62.9-36.5176.3-71.9-55.7000111.8T588 G589 H590 G596 R1131 R1132T588-N592 PolarHBondContact O-N 3.45Å; T588-N592 VanDerWaalsContact O-N 3.11Å; T588-N592 PolarHBondContact O-ND2 3.47Å; G589-N592 PolarHBondContact O-N 3.46Å; H590-N592 VanDerWaalsContact C-N 3.35Å; H590-N592 PolarHBondContact O-N 2.99Å; N592-G596 PolarHBondContact O-N 3.45Å; N592-R1131 WeakPolarHBondContact OD1-CA 3.46Å; N592-R1132 PolarHBondContact OD1-N 3.17Å; N592-R1132 PolarHBondContact OD1-O 2.97Å
593E83.4Confident86.3Confident44 Ų4429 Ų2921%0.20616%0.164CC..Hα-helixtrans-68.1-45.8177-161.2-164.3123.800111.5R430 G589 H590 L591 A595 G596 D597R430-E593 IonicContact CZ-OE1 2.94Å; R430-E593 IonicContact CZ-OE2 2.71Å; R430-E593 VanDerWaalsContact NH1-CD 3.33Å; R430-E593 IonicContact NH1-OE1 2.72Å; R430-E593 PolarHBondContact NH1-OE1 3.25Å; R430-E593 IonicContact NH1-OE2 3.24Å; R430-E593 IonicContact NH2-OE1 2.87Å; R430-E593 PolarHBondContact NH2-OE1 3.41Å; R430-E593 IonicContact NH2-OE2 3.6Å; R430-E593 PolarHBondContact NH2-OE2 2.63Å; G589-E593 PolarHBondContact O-N 3.18Å; H590-E593 VanDerWaalsContact O-CB 3.32Å; H590-E593 WeakPolarHBondContact O-CB 3.27Å; H590-E593 PolarHBondContact O-N 3.11Å; H590-E593 VanDerWaalsContact O-N 3.13Å; L591-E593 VanDerWaalsContact C-N 3.25Å; L591-E593 PolarHBondContact O-N 3.43Å; E593-A595 VanDerWaalsContact C-N 3.29Å; E593-A595 PolarHBondContact O-N 3.02Å; E593-G596 PolarHBondContact O-N 3.42Å; E593-G596 VanDerWaalsContact O-N 3.13Å; E593-D597 PolarHBondContact O-N 2.95Å
594Y86.3Confident86.5Confident0 Ų027.6 Ų27.60%016%0.156CC..Hα-helixtrans-60.1-40174.7-58.5-18.8000111.8K412 C413 S414 N419 H590 L591 D597 G598 L599 T601 A653K412-Y594 HydrophobicContact CB-CD1 4.22Å; K412-Y594 HydrophobicContact CB-CE1 3.73Å; K412-Y594 HydrophobicContact CD-CD1 3.78Å; K412-Y594 HydrophobicContact CD-CE1 3.66Å; K412-Y594 HydrophobicContact CG-CE1 4.34Å; C413-Y594 PolarHBondContact O-OH 3.17Å; C413-Y594 VanDerWaalsContact O-OH 3.09Å; S414-Y594 PolarHBondContact N-OH 2.99Å; N419-Y594 WeakPolarHBondContact OD1-CE1 3.28Å; N419-Y594 PolarHBondContact OD1-OH 3.17Å; H590-Y594 HydrophobicContact CB-CE1 4.44Å; H590-Y594 HydrophobicContact CB-CE2 4.16Å; H590-Y594 WeakPolarHBondContact O-CD1 3.39Å; H590-Y594 WeakPolarHBondContact O-CD2 3.4Å; H590-Y594 PolarHBondContact O-N 3.26Å; L591-Y594 HydrophobicContact CD2-CD2 4.44Å; L591-Y594 PolarHBondContact O-N 3.3Å; Y594-D597 CarbonylContact O-C 3.56Å; Y594-D597 PolarHBondContact O-N 3.16Å; Y594-G598 PolarHBondContact O-N 3.49Å; Y594-L599 WeakPolarHBondContact O-CB 3.25Å; Y594-L599 PolarHBondContact O-N 2.99Å; Y594-T601 HydrophobicContact CD2-CG2 3.98Å; Y594-T601 HydrophobicContact CG-CG2 4.33Å; Y594-A653 HydrophobicContact CD1-CB 4.45Å; Y594-A653 HydrophobicContact CD2-CB 3.67Å; Y594-A653 HydrophobicContact CE2-CB 4.12Å; Y594-A653 HydrophobicContact CG-CB 3.85Å
595A78.1Confident86.9Confident12 Ų1225 Ų2510%0.09914%0.143CC..Hα-helixtrans-64.8-39.3175.300000112L591 E593 D597 G598 R1132L591-A595 WeakPolarHBondContact O-CB 3.35Å; L591-A595 PolarHBondContact O-N 3.49Å; E593-A595 VanDerWaalsContact C-N 3.29Å; E593-A595 PolarHBondContact O-N 3.02Å; A595-D597 VanDerWaalsContact C-N 3.28Å; A595-D597 PolarHBondContact O-N 3.04Å; A595-G598 WeakPolarHBondContact O-CA 3.39Å; A595-G598 PolarHBondContact O-N 2.89Å; A595-R1132 WeakPolarHBondContact CB-O 3.25Å
596G69.6Low87.2Confident20 Ų2020 Ų2021%0.20612%0.121CC..Hα-helixtrans-63.2-33.1172.500000113.1N592 E593 G598 R1127N592-G596 PolarHBondContact O-N 3.45Å; E593-G596 PolarHBondContact O-N 3.42Å; E593-G596 VanDerWaalsContact O-N 3.13Å; G596-G598 PolarHBondContact O-N 3.15Å; G596-R1127 WeakPolarHBondContact O-CD 3.43Å; G596-R1127 PolarHBondContact O-NH1 2.94Å
597D73.3Confident87.3Confident54 Ų5418.9 Ų18.929%0.28911%0.11SC..THydrogen-bonded Turntrans-74.9-4.9170.4-70.8-17.9000113K412 E593 Y594 A595 L599 R1127K412-D597 IonicContact NZ-OD2 3.06Å; K412-D597 PolarHBondContact NZ-OD2 3.28Å; E593-D597 PolarHBondContact O-N 2.95Å; Y594-D597 CarbonylContact O-C 3.56Å; Y594-D597 PolarHBondContact O-N 3.16Å; A595-D597 VanDerWaalsContact C-N 3.28Å; A595-D597 PolarHBondContact O-N 3.04Å; D597-L599 VanDerWaalsContact C-N 3.28Å; D597-L599 HydrophobicContact CB-CD1 4.17Å; D597-L599 HydrophobicContact CB-CG 3.96Å; D597-R1127 VanDerWaalsContact CA-NH1 3.29Å; D597-R1127 PolarHBondContact O-NH1 3.01Å
598G75.2Confident87.3Confident5 Ų524 Ų245%0.05213%0.134CC..THydrogen-bonded Turntrans73.521.1-179.800000113.3Y594 A595 G596 S693Y594-G598 PolarHBondContact O-N 3.49Å; A595-G598 WeakPolarHBondContact O-CA 3.39Å; A595-G598 PolarHBondContact O-N 2.89Å; G596-G598 PolarHBondContact O-N 3.15Å; G598-S693 WeakPolarHBondContact CA-OG 3.32Å
599L84.1Confident87.4Confident6 Ų622.8 Ų22.83%0.03113%0.126CC..  trans-82144.3177-55.4175.9000110.6N411 K412 Y594 D597 A653 E655N411-L599 HydrophobicContact CB-CD2 4.22Å; K412-L599 HydrophobicContact CB-CD1 4.47Å; K412-L599 HydrophobicContact CD-CD1 3.93Å; K412-L599 HydrophobicContact CG-CD1 4.07Å; Y594-L599 WeakPolarHBondContact O-CB 3.25Å; Y594-L599 PolarHBondContact O-N 2.99Å; D597-L599 VanDerWaalsContact C-N 3.28Å; D597-L599 HydrophobicContact CB-CD1 4.17Å; D597-L599 HydrophobicContact CB-CG 3.96Å; L599-A653 HydrophobicContact CB-CB 3.98Å; L599-A653 HydrophobicContact CD1-CB 3.78Å; L599-E655 HydrophobicContact CD2-CB 3.59Å; L599-E655 HydrophobicContact CD2-CG 3.89Å
600R87.5Confident87.6Confident9 Ų929.2 Ų29.23%0.03414%0.143CC..EExtended strand (participates in β ladder)trans-81122.4174.6-55.2-176.5177.9-171.10.9109.6D501 A653 V654 D656 G1134 A1136D501-R600 IonicContact OD1-CZ 3.01Å; D501-R600 IonicContact OD1-NH1 2.64Å; D501-R600 PolarHBondContact OD1-NH1 3.17Å; D501-R600 IonicContact OD2-NH1 3.93Å; D501-R600 PolarHBondContact OD2-NH1 3.37Å; R600-A653 CarbonylContact O-C 3.58Å; R600-A653 WeakPolarHBondContact O-CA 3.4Å; R600-V654 WeakPolarHBondContact CB-O 3.44Å; R600-V654 PolarHBondContact N-O 3.32Å; R600-V654 PolarHBondContact O-N 2.79Å; R600-D656 IonicContact CZ-OD2 3.46Å; R600-D656 IonicContact NE-OD2 2.78Å; R600-D656 IonicContact NH2-OD2 3.93Å; R600-D656 PolarHBondContact NH2-OD2 3.36Å; R600-G1134 WeakPolarHBondContact CA-O 3.26Å; R600-A1136 HydrophobicContact CB-CB 4.2Å; R600-A1136 HydrophobicContact CG-CB 3.92Å
601T90.5Very high87.3Confident1 Ų131.2 Ų31.21%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-108140.3-173.960.30000113.5L591 Y594 T652 G1134 Y1135L591-T601 VanDerWaalsContact CD2-CB 3.44Å; L591-T601 HydrophobicContact CD2-CG2 3.72Å; Y594-T601 HydrophobicContact CD2-CG2 3.98Å; Y594-T601 HydrophobicContact CG-CG2 4.33Å; T601-T652 VanDerWaalsContact CA-O 3.28Å; T601-T652 WeakPolarHBondContact CA-O 3.32Å; T601-G1134 PolarHBondContact N-O 2.85Å; T601-G1134 VanDerWaalsContact OG1-C 3.25Å; T601-Y1135 PolarHBondContact OG1-N 3.29Å
602L93.5Very high87.3Confident6 Ų637.2 Ų37.23%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-129.1139.4169.1-67.9167.7000110.7L505 A651 T652 Y1135 F1137L505-L602 HydrophobicContact CD1-CD1 3.9Å; L602-A651 CarbonylContact O-C 3.57Å; L602-A651 WeakPolarHBondContact O-CA 3.28Å; L602-A651 WeakPolarHBondContact O-CB 3.41Å; L602-T652 PolarHBondContact N-O 3.04Å; L602-T652 VanDerWaalsContact N-O 3.09Å; L602-T652 PolarHBondContact O-N 2.96Å; L602-Y1135 HydrophobicContact CD2-CD2 3.85Å; L602-Y1135 HydrophobicContact CD2-CE2 3.55Å; L602-F1137 HydrophobicContact CD1-CD2 3.82Å; L602-F1137 HydrophobicContact CD1-CE2 3.94Å; L602-F1137 HydrophobicContact CD2-CB 4.43Å; L602-F1137 HydrophobicContact CD2-CD2 4.31Å; L602-F1137 HydrophobicContact CD2-CG 4.47Å
603V95.3Very high87.5Confident0 Ų039.2 Ų39.20%019%0.19CC..EExtended strand (participates in β ladder)trans-95.1137.8174.1179.70000109.4K566 G567 D569 I572 Y573 L591 L648 A651K566-V603 WeakPolarHBondContact CA-O 3.46Å; G567-V603 PolarHBondContact N-O 3.27Å; G567-V603 PolarHBondContact O-N 3.45Å; D569-V603 HydrophobicContact CB-CG2 3.59Å; I572-V603 HydrophobicContact CB-CB 4.2Å; I572-V603 HydrophobicContact CB-CG1 4.07Å; I572-V603 HydrophobicContact CG1-CB 4.38Å; I572-V603 HydrophobicContact CG2-CB 4.32Å; I572-V603 HydrophobicContact CG2-CG1 3.68Å; Y573-V603 HydrophobicContact CD1-CG1 4.3Å; Y573-V603 HydrophobicContact CE1-CG1 3.82Å; Y573-V603 HydrophobicContact CE1-CG2 4.06Å; L591-V603 HydrophobicContact CD1-CG2 3.9Å; V603-L648 HydrophobicContact CG1-CD1 3.44Å; V603-L648 VanDerWaalsContact CG1-CD1 3.44Å; V603-A651 HydrophobicContact CG2-CB 4.47Å
604L96.1Very high87.7Confident0 Ų037.4 Ų37.40%018%0.182CC..EExtended strand (participates in β ladder)trans-114.3129.7-177.7-56.6-171.8000110.5F473 L476 L477 K566 L649 G650 T652F473-L604 HydrophobicContact CD1-CD1 4.48Å; F473-L604 HydrophobicContact CD2-CD1 3.62Å; F473-L604 HydrophobicContact CE1-CD1 4.28Å; F473-L604 HydrophobicContact CE2-CD1 3.38Å; F473-L604 HydrophobicContact CE2-CG 4.25Å; F473-L604 HydrophobicContact CG-CD1 4.18Å; F473-L604 HydrophobicContact CZ-CD1 3.74Å; L476-L604 HydrophobicContact CD1-CB 3.97Å; L476-L604 HydrophobicContact CD2-CB 4.48Å; L476-L604 HydrophobicContact CD2-CD1 4.17Å; L476-L604 HydrophobicContact CD2-CD2 3.8Å; L476-L604 HydrophobicContact CD2-CG 4.37Å; L477-L604 HydrophobicContact CD2-CD1 3.72Å; L477-L604 HydrophobicContact CD2-CD2 4.13Å; L477-L604 HydrophobicContact CG-CD1 4.12Å; K566-L604 HydrophobicContact CB-CD2 3.45Å; K566-L604 VanDerWaalsContact CB-CD2 3.45Å; L604-L649 HydrophobicContact CB-CB 4.44Å; L604-L649 PolarHBondContact O-N 2.82Å; L604-G650 PolarHBondContact N-O 3.04Å; L604-G650 PolarHBondContact O-N 2.97Å; L604-T652 HydrophobicContact CD1-CG2 3.86Å; L604-T652 HydrophobicContact CG-CG2 4.29Å
605A96.1Very high87.7Confident0 Ų043.5 Ų43.50%021%0.211CC..EExtended strand (participates in β ladder)trans-139.7158.6178.900000111.2L476 C565 I572 L576 M646 I647L476-A605 WeakPolarHBondContact CD1-O 3.33Å; C565-A605 PolarHBondContact N-O 3.1Å; C565-A605 PolarHBondContact O-N 3.07Å; C565-A605 VanDerWaalsContact O-O 3.07Å; I572-A605 HydrophobicContact CG2-CB 3.88Å; L576-A605 HydrophobicContact CD2-CB 3.91Å; A605-M646 HydrophobicContact CB-CB 3.92Å; A605-M646 HydrophobicContact CB-CE 4.26Å; A605-M646 HydrophobicContact CB-SD 4.28Å; A605-I647 CarbonylContact C-O 3.58Å; A605-I647 WeakPolarHBondContact CA-O 3.17Å; A605-I647 WeakPolarHBondContact CB-O 3.29Å
606Y95.4Very high88.2Confident56 Ų5648.3 Ų48.322%0.2223%0.231CC..EExtended strand (participates in β ladder)trans-143.1161.9176.978.3-68.6000111.7T562 L563 H608 I647 L649T562-Y606 HydrophobicContact CG2-CD2 4.03Å; L563-Y606 CarbonylContact O-C 3.52Å; L563-Y606 WeakPolarHBondContact O-CA 3.41Å; L563-Y606 WeakPolarHBondContact O-CB 3.5Å; Y606-H608 AromaticContact CE2-CE1 3.95Å; Y606-H608 AromaticContact CE2-NE2 3.54Å; Y606-I647 HydrophobicContact CD1-CB 4.14Å; Y606-I647 HydrophobicContact CE1-CB 3.77Å; Y606-I647 HydrophobicContact CE1-CG2 3.77Å; Y606-I647 PolarHBondContact N-O 3.49Å; Y606-I647 PolarHBondContact O-N 3.08Å; Y606-L649 HydrophobicContact CD1-CD1 3.59Å; Y606-L649 HydrophobicContact CD1-CD2 3.78Å; Y606-L649 HydrophobicContact CD1-CG 3.45Å; Y606-L649 VanDerWaalsContact CD1-CG 3.45Å; Y606-L649 HydrophobicContact CE1-CD1 4.31Å; Y606-L649 HydrophobicContact CE1-CD2 3.62Å; Y606-L649 HydrophobicContact CE1-CG 3.78Å; Y606-L649 HydrophobicContact CG-CD1 4.14Å; Y606-L649 HydrophobicContact CG-CG 4.45Å
607K94.7Very high89.2Confident41 Ų4147.5 Ų47.518%0.17822%0.222CC..EExtended strand (participates in β ladder)trans-148.2134.7176.6178178.9177.7-1780110.1T562 L563 L609 I642 K644 M646T562-K607 WeakPolarHBondContact CA-O 3.32Å; L563-K607 HydrophobicContact CB-CB 4.29Å; L563-K607 HydrophobicContact CD2-CB 4.23Å; L563-K607 PolarHBondContact N-O 2.9Å; L563-K607 PolarHBondContact O-N 3.09Å; K607-L609 HydrophobicContact CD-CD2 4.15Å; K607-L609 HydrophobicContact CG-CD2 4.24Å; K607-I642 PolarHBondContact NZ-O 3.16Å; K607-K644 VanDerWaalsContact CD-O 3.31Å; K607-K644 WeakPolarHBondContact CD-O 3.38Å; K607-K644 WeakPolarHBondContact CE-O 3.36Å; K607-K644 PolarHBondContact NZ-O 3.37Å; K607-M646 HydrophobicContact CB-CG 4.19Å
608H92.8Very high89.8Confident109 Ų10948.2 Ų48.251%0.50523%0.228SC..EExtended strand (participates in β ladder)trans-83.1132.2170.4-66-53.7000110.2M561 T562 Y606M561-H608 WeakPolarHBondContact O-CA 3.5Å; T562-H608 PolarHBondContact OG1-ND1 2.98Å; T562-H608 VanDerWaalsContact OG1-ND1 3.12Å; Y606-H608 AromaticContact CE2-CE1 3.95Å; Y606-H608 AromaticContact CE2-NE2 3.54Å
609L92.2Very high90.3Very high18 Ų1853.9 Ų53.99%0.09425%0.253CS..EExtended strand (participates in β ladder)trans-105.1147.5-178.7-60.3176.1000110.3I553 M561 L563 K607 M614 I642I553-L609 HydrophobicContact CD1-CD1 4.2Å; I553-L609 HydrophobicContact CG1-CD1 4.45Å; I553-L609 HydrophobicContact CG2-CD1 3.93Å; M561-L609 HydrophobicContact CB-CB 4.13Å; M561-L609 PolarHBondContact O-N 3.42Å; L563-L609 HydrophobicContact CB-CD1 4.17Å; L563-L609 HydrophobicContact CB-CG 4.37Å; K607-L609 HydrophobicContact CD-CD2 4.15Å; K607-L609 HydrophobicContact CG-CD2 4.24Å; L609-M614 HydrophobicContact CD1-SD 4.14Å; L609-I642 HydrophobicContact CD1-CD1 3.98Å; L609-I642 HydrophobicContact CD1-CG1 4.4Å; L609-I642 HydrophobicContact CD2-CG1 4.22Å
610K90.8Very high90.5Very high174 Ų17456.8 Ų56.876%0.75726%0.264SS*.  trans-89.5141.3173.3-64.5-178.5-178.2176.50109.4N612 Y613 M614K610-N612 PolarHBondContact O-N 3.03Å; K610-Y613 PolarHBondContact O-N 3.31Å; K610-Y613 VanDerWaalsContact O-N 3.16Å; K610-M614 PolarHBondContact O-N 3.12Å
611E86.4Confident90.4Very high74 Ų7458.3 Ų58.335%0.34627%0.271SS..Hα-helixtrans-50.8-53.9-178.8-157.576.1-149.600112.5R555 M561 Y613 M614 E615R555-E611 IonicContact CZ-OE1 3.96Å; R555-E611 IonicContact NE-OE1 3.27Å; R555-E611 IonicContact NH2-OE1 3.49Å; R555-E611 PolarHBondContact NH2-OE1 3.07Å; M561-E611 HydrophobicContact CE-CB 4.3Å; M561-E611 HydrophobicContact CE-CG 4Å; M561-E611 WeakPolarHBondContact CE-OE1 3.41Å; M561-E611 WeakPolarHBondContact CE-OE2 3.21Å; E611-Y613 VanDerWaalsContact C-N 3.25Å; E611-Y613 PolarHBondContact O-N 3.21Å; E611-M614 PolarHBondContact O-N 2.8Å; E611-E615 PolarHBondContact O-N 2.71Å; E611-E615 VanDerWaalsContact O-N 3.07Å
612N87.5Confident89.9Confident129 Ų12964.1 Ų64.169%0.6930%0.298SS*.Hα-helixtrans-57.9-36.1-177.5-57.710.6000113.2K610 E616K610-N612 PolarHBondContact O-N 3.03Å; N612-E616 PolarHBondContact O-N 3.37Å
613Y89.1Confident89.4Confident65 Ų6569.2 Ų69.226%0.25532%0.322SS..Hα-helixtrans-72.6-34.3178.3177.9-103.4000111.2K610 E611 W617 E641 I642K610-Y613 PolarHBondContact O-N 3.31Å; K610-Y613 VanDerWaalsContact O-N 3.16Å; E611-Y613 VanDerWaalsContact C-N 3.25Å; E611-Y613 PolarHBondContact O-N 3.21Å; Y613-W617 VanDerWaalsContact O-CB 3.29Å; Y613-W617 WeakPolarHBondContact O-CB 3.45Å; Y613-W617 PolarHBondContact O-N 2.76Å; Y613-E641 PolarHBondContact OH-OE1 3.08Å; Y613-I642 HydrophobicContact CE1-CD1 4.25Å; Y613-I642 HydrophobicContact CE1-CG1 4.16Å
614M86.4Confident88.8Confident6 Ų669.5 Ų69.53%0.0332%0.324CS..Hα-helixtrans-71.7-38.5179.9-168.363.9-162.900112.1L538 I553 M561 L609 K610 E611 W617 T618 I642L538-M614 HydrophobicContact CB-CE 4.34Å; I553-M614 HydrophobicContact CD1-CE 3.85Å; I553-M614 HydrophobicContact CD1-SD 4.13Å; I553-M614 HydrophobicContact CG2-CE 4.21Å; I553-M614 HydrophobicContact CG2-SD 4.33Å; M561-M614 HydrophobicContact CE-CB 3.99Å; M561-M614 HydrophobicContact CE-CG 4.26Å; M561-M614 HydrophobicContact SD-CB 3.77Å; M561-M614 HydrophobicContact SD-CG 3.61Å; L609-M614 HydrophobicContact CD1-SD 4.14Å; K610-M614 PolarHBondContact O-N 3.12Å; E611-M614 PolarHBondContact O-N 2.8Å; M614-W617 HydrophobicContact CE-CE3 3.54Å; M614-W617 HydrophobicContact CE-CZ3 3.77Å; M614-W617 PolarHBondContact O-N 2.89Å; M614-W617 HydrophobicContact SD-CE3 4.11Å; M614-T618 VanDerWaalsContact O-CB 3.32Å; M614-T618 WeakPolarHBondContact O-CB 3.38Å; M614-T618 PolarHBondContact O-N 3.34Å; M614-T618 PolarHBondContact O-OG1 3.43Å; M614-I642 HydrophobicContact SD-CD1 4.22Å
615E86.4Confident87.8Confident129 Ų12971.5 Ų71.560%0.60334%0.338SS*.Hα-helixtrans-59.1-48.2174.9-70.5-179.6170.900111E611 W617 T618 Q619E611-E615 PolarHBondContact O-N 2.71Å; E611-E615 VanDerWaalsContact O-N 3.07Å; E615-W617 PolarHBondContact O-N 2.97Å; E615-T618 PolarHBondContact O-N 3.02Å; E615-Q619 PolarHBondContact O-N 3.18Å; E615-Q619 VanDerWaalsContact O-N 3.14Å
616E89.5Confident87Confident113 Ų11375.6 Ų75.653%0.52836%0.363SS..Hα-helixtrans-62.9-42.8176.7-172.9-177.8176.300112N612 Q619 R620N612-E616 PolarHBondContact O-N 3.37Å; E616-Q619 PolarHBondContact O-N 3.05Å; E616-R620 PolarHBondContact O-N 3.32Å
617W90.6Very high86.3Confident2 Ų273.7 Ų73.71%0.00836%0.359CS..Hα-helixtrans-65.9-39177.8-174.293.5000112A539 I553 Y613 M614 E615 Q619 R620 H621 L638 Y639 I642A539-W617 HydrophobicContact CB-CH2 4.36Å; A539-W617 HydrophobicContact CB-CZ3 4.2Å; I553-W617 HydrophobicContact CD1-CZ3 4.45Å; Y613-W617 VanDerWaalsContact O-CB 3.29Å; Y613-W617 WeakPolarHBondContact O-CB 3.45Å; Y613-W617 PolarHBondContact O-N 2.76Å; M614-W617 HydrophobicContact CE-CE3 3.54Å; M614-W617 HydrophobicContact CE-CZ3 3.77Å; M614-W617 PolarHBondContact O-N 2.89Å; M614-W617 HydrophobicContact SD-CE3 4.11Å; E615-W617 PolarHBondContact O-N 2.97Å; W617-Q619 VanDerWaalsContact C-N 3.34Å; W617-Q619 PolarHBondContact O-N 3.32Å; W617-R620 PolarHBondContact O-N 3.45Å; W617-H621 HydrophobicContact CD2-CB 4.48Å; W617-H621 HydrophobicContact CE3-CB 4.05Å; W617-H621 HydrophobicContact CH2-CB 4.11Å; W617-H621 AromaticContact CH2-CD2 3.44Å; W617-H621 VanDerWaalsContact CH2-CD2 3.44Å; W617-H621 WeakPolarHBondContact CH2-CD2 3.5Å; W617-H621 AromaticContact CH2-CG 3.87Å; W617-H621 AromaticContact CZ2-CD2 3.98Å; W617-H621 HydrophobicContact CZ3-CB 3.84Å; W617-H621 AromaticContact CZ3-CD2 3.95Å; W617-H621 AromaticContact CZ3-CG 3.89Å; W617-H621 VanDerWaalsContact O-CB 3.29Å; W617-H621 WeakPolarHBondContact O-CB 3.15Å; W617-H621 PolarHBondContact O-N 3.48Å; W617-L638 PolarHBondContact NE1-O 3.41Å; W617-L638 VanDerWaalsContact NE1-O 3.16Å; W617-Y639 HydrophobicContact CH2-CD1 4.4Å; W617-Y639 HydrophobicContact CH2-CE1 4.18Å; W617-Y639 AromaticContact CZ2-CD1 3.95Å; W617-Y639 HydrophobicContact CZ2-CD1 3.95Å; W617-Y639 HydrophobicContact CZ2-CE1 4.14Å; W617-I642 HydrophobicContact CD2-CD1 3.77Å; W617-I642 HydrophobicContact CE3-CD1 4.33Å; W617-I642 HydrophobicContact CG-CD1 3.9Å; W617-I642 HydrophobicContact CZ2-CD1 4.3Å; W617-I642 HydrophobicContact CZ2-CG2 4.03Å
618T85.3Confident85.4Confident69 Ų6980.3 Ų80.342%0.42340%0.395SS..Hα-helixtrans-64.3-39.5179-55.70000111.2M614 E615 H621 H622M614-T618 VanDerWaalsContact O-CB 3.32Å; M614-T618 WeakPolarHBondContact O-CB 3.38Å; M614-T618 PolarHBondContact O-N 3.34Å; M614-T618 PolarHBondContact O-OG1 3.43Å; E615-T618 PolarHBondContact O-N 3.02Å; T618-H621 PolarHBondContact O-N 3.14Å; T618-H622 WeakPolarHBondContact O-CB 3.41Å; T618-H622 PolarHBondContact O-N 3.43Å
619Q85.4Confident84.6Confident125 Ų12582.7 Ų82.758%0.58441%0.407SS*.Hα-helixtrans-62.3-49.3174.4-175.6174.9-1.300111.5E615 E616 W617 H621 H622 E623E615-Q619 PolarHBondContact O-N 3.18Å; E615-Q619 VanDerWaalsContact O-N 3.14Å; E616-Q619 PolarHBondContact O-N 3.05Å; W617-Q619 VanDerWaalsContact C-N 3.34Å; W617-Q619 PolarHBondContact O-N 3.32Å; Q619-H621 VanDerWaalsContact C-N 3.3Å; Q619-H621 PolarHBondContact O-N 2.83Å; Q619-H622 WeakPolarHBondContact O-CB 3.35Å; Q619-H622 PolarHBondContact O-N 2.93Å; Q619-E623 WeakPolarHBondContact O-CG 3.5Å; Q619-E623 PolarHBondContact O-N 3.02Å
620R88.6Confident83.9Confident66 Ų6683.8 Ų83.825%0.24942%0.422CS..Hα-helixtrans-63.6-36.1177.3-67.5-172.6-68.6137.4-8.9112.5E616 W617 E623 A624 L638 E641E616-R620 PolarHBondContact O-N 3.32Å; W617-R620 PolarHBondContact O-N 3.45Å; R620-E623 PolarHBondContact O-N 3.47Å; R620-A624 WeakPolarHBondContact O-CB 3.35Å; R620-A624 PolarHBondContact O-N 3.29Å; R620-L638 HydrophobicContact CB-CD1 4.37Å; R620-L638 HydrophobicContact CB-CD2 3.8Å; R620-L638 WeakPolarHBondContact O-CD1 3.49Å; R620-E641 IonicContact CZ-OE1 2.64Å; R620-E641 IonicContact CZ-OE2 2.62Å; R620-E641 IonicContact NH1-OE1 3.65Å; R620-E641 IonicContact NH1-OE2 3.99Å; R620-E641 PolarHBondContact NH1-OE2 2.91Å; R620-E641 IonicContact NH2-OE1 2.78Å; R620-E641 PolarHBondContact NH2-OE1 3.01Å; R620-E641 IonicContact NH2-OE2 2.72Å; R620-E641 PolarHBondContact NH2-OE2 3.4Å
621H84.9Confident83.4Confident42 Ų4281.6 Ų81.619%0.19441%0.409CS..Hα-helixtrans-63.4-44.9174.3-178.1-86.9000111.5W617 T618 Q619 E623 A624 S625 Y639W617-H621 HydrophobicContact CD2-CB 4.48Å; W617-H621 HydrophobicContact CE3-CB 4.05Å; W617-H621 HydrophobicContact CH2-CB 4.11Å; W617-H621 AromaticContact CH2-CD2 3.44Å; W617-H621 VanDerWaalsContact CH2-CD2 3.44Å; W617-H621 WeakPolarHBondContact CH2-CD2 3.5Å; W617-H621 AromaticContact CH2-CG 3.87Å; W617-H621 AromaticContact CZ2-CD2 3.98Å; W617-H621 HydrophobicContact CZ3-CB 3.84Å; W617-H621 AromaticContact CZ3-CD2 3.95Å; W617-H621 AromaticContact CZ3-CG 3.89Å; W617-H621 VanDerWaalsContact O-CB 3.29Å; W617-H621 WeakPolarHBondContact O-CB 3.15Å; W617-H621 PolarHBondContact O-N 3.48Å; T618-H621 PolarHBondContact O-N 3.14Å; Q619-H621 VanDerWaalsContact C-N 3.3Å; Q619-H621 PolarHBondContact O-N 2.83Å; H621-E623 PolarHBondContact O-N 3.05Å; H621-A624 PolarHBondContact O-N 2.98Å; H621-S625 VanDerWaalsContact O-CB 3.31Å; H621-S625 WeakPolarHBondContact O-CB 3.36Å; H621-S625 PolarHBondContact O-N 3.16Å; H621-S625 PolarHBondContact O-OG 2.92Å; H621-Y639 AromaticContact CD2-CE1 3.63Å; H621-Y639 AromaticContact NE2-CE1 3.58Å; H621-Y639 AromaticContact NE2-CZ 3.82Å; H621-Y639 PolarHBondContact NE2-OH 3.04Å; H621-Y639 VanDerWaalsContact NE2-OH 3.15Å
622H80.5Confident82.9Confident122 Ų12283.5 Ų83.557%0.56542%0.418SS*.Hα-helixtrans-60.1-46.1175.8-172.969.4000111.8T618 Q619 A624 S625 T626T618-H622 WeakPolarHBondContact O-CB 3.41Å; T618-H622 PolarHBondContact O-N 3.43Å; Q619-H622 WeakPolarHBondContact O-CB 3.35Å; Q619-H622 PolarHBondContact O-N 2.93Å; H622-A624 PolarHBondContact O-N 3.18Å; H622-S625 PolarHBondContact O-N 3.18Å; H622-S625 PolarHBondContact O-OG 3.2Å; H622-T626 WeakPolarHBondContact O-CG2 3.39Å; H622-T626 PolarHBondContact O-N 3.41Å; H622-T626 VanDerWaalsContact O-N 3.13Å; H622-T626 PolarHBondContact O-OG1 2.82Å
623E83.4Confident82.7Confident114 Ų11484.2 Ų84.253%0.53342%0.417SS..Hα-helixtrans-60.3-42.7175.3-70.5173.1-169.100112.4Q619 R620 H621 T626 A627Q619-E623 WeakPolarHBondContact O-CG 3.5Å; Q619-E623 PolarHBondContact O-N 3.02Å; R620-E623 PolarHBondContact O-N 3.47Å; H621-E623 PolarHBondContact O-N 3.05Å; E623-T626 PolarHBondContact O-OG1 3.26Å; E623-A627 PolarHBondContact O-N 2.87Å
624A82.1Confident82.5Confident6 Ų687.4 Ų87.45%0.0543%0.429CS..Hα-helixtrans-67.9-38.5176.300000112.3R620 H621 H622 T626 A627 R631 R634 L635 L638R620-A624 WeakPolarHBondContact O-CB 3.35Å; R620-A624 PolarHBondContact O-N 3.29Å; H621-A624 PolarHBondContact O-N 2.98Å; H622-A624 PolarHBondContact O-N 3.18Å; A624-T626 VanDerWaalsContact C-N 3.31Å; A624-T626 PolarHBondContact O-N 3.24Å; A624-A627 WeakPolarHBondContact O-CB 3.26Å; A624-A627 PolarHBondContact O-N 3.47Å; A624-R631 WeakPolarHBondContact O-CG 3.41Å; A624-R634 HydrophobicContact CB-CB 4.05Å; A624-L635 HydrophobicContact CB-CD2 3.82Å; A624-L635 HydrophobicContact CB-CG 4.22Å; A624-L638 HydrophobicContact CB-CD1 3.47Å; A624-L638 VanDerWaalsContact CB-CD1 3.47Å
625S76.3Confident82.3Confident41 Ų4188.1 Ų88.129%0.28743%0.433SS..Hα-helixtrans-68.9-28-178.175.90000113.5H621 H622 R631H621-S625 VanDerWaalsContact O-CB 3.31Å; H621-S625 WeakPolarHBondContact O-CB 3.36Å; H621-S625 PolarHBondContact O-N 3.16Å; H621-S625 PolarHBondContact O-OG 2.92Å; H622-S625 PolarHBondContact O-N 3.18Å; H622-S625 PolarHBondContact O-OG 3.2Å; S625-R631 VanDerWaalsContact O-CD 3.31Å; S625-R631 WeakPolarHBondContact O-CD 3.25Å
626T79.3Confident82.3Confident87 Ų8784.4 Ų84.453%0.53442%0.417SS..THydrogen-bonded Turntrans-93-2-17952.90000113.2H622 E623 A624H622-T626 WeakPolarHBondContact O-CG2 3.39Å; H622-T626 PolarHBondContact O-N 3.41Å; H622-T626 VanDerWaalsContact O-N 3.13Å; H622-T626 PolarHBondContact O-OG1 2.82Å; E623-T626 PolarHBondContact O-OG1 3.26Å; A624-T626 VanDerWaalsContact C-N 3.31Å; A624-T626 PolarHBondContact O-N 3.24Å
627A80.8Confident82.2Confident16 Ų1685.7 Ų85.713%0.13242%0.423CS..  trans-66133178.500000112.5E623 A624E623-A627 PolarHBondContact O-N 2.87Å; A624-A627 WeakPolarHBondContact O-CB 3.26Å; A624-A627 PolarHBondContact O-N 3.47Å
628L74.9Confident82.1Confident179 Ų17986.3 Ų86.394%0.93743%0.426SS*.SBendtrans-77.2-31.5178.4-70.2166.7000113.1
629E76.8Confident82.4Confident160 Ų16084.4 Ų84.475%0.74841%0.412SS*.SBendtrans-123.3140.9179.6-70.1-175.2171.200111R631E629-R631 PolarHBondContact O-N 3.17Å
630G77.8Confident82.6Confident40 Ų4081.3 Ų81.341%0.41240%0.397SS..SBendtrans64.920.8176.400000114.7E632 E633 R634G630-E632 VanDerWaalsContact C-N 3.34Å; G630-E632 PolarHBondContact O-N 3.31Å; G630-E633 PolarHBondContact O-N 2.79Å; G630-R634 WeakPolarHBondContact O-CG 3.42Å; G630-R634 PolarHBondContact O-N 3.16Å; G630-R634 VanDerWaalsContact O-N 3.12Å
631R78.9Confident82.7Confident129 Ų12981.5 Ų81.549%0.48740%0.401SS..Hα-helixtrans-52.1-48-176.6-175.9179.164.8146.82.5113.2A624 S625 E629 R634 L635A624-R631 WeakPolarHBondContact O-CG 3.41Å; S625-R631 VanDerWaalsContact O-CD 3.31Å; S625-R631 WeakPolarHBondContact O-CD 3.25Å; E629-R631 PolarHBondContact O-N 3.17Å; R631-R634 PolarHBondContact O-N 3.03Å; R631-L635 HydrophobicContact CG-CD1 4Å; R631-L635 WeakPolarHBondContact O-CG 3.48Å; R631-L635 PolarHBondContact O-N 2.82Å
632E77.1Confident83Confident114 Ų11479.5 Ų79.553%0.53339%0.391SS..Hα-helixtrans-65.6-44.8-176.7-66.4-171168.700112.1G630 R634 L635 D636G630-E632 VanDerWaalsContact C-N 3.34Å; G630-E632 PolarHBondContact O-N 3.31Å; E632-R634 PolarHBondContact O-N 3.16Å; E632-L635 PolarHBondContact O-N 3.26Å; E632-D636 WeakPolarHBondContact O-CB 3.32Å; E632-D636 PolarHBondContact O-N 3.33Å
633E82.5Confident83.7Confident143 Ų14373.7 Ų73.767%0.66837%0.365SS*.Hα-helixtrans-63.1-40.4178.4-67.5178.3174.600112.3G630 D636 Q637G630-E633 PolarHBondContact O-N 2.79Å; E633-D636 PolarHBondContact O-N 3.26Å; E633-Q637 WeakPolarHBondContact O-CG 3.45Å; E633-Q637 PolarHBondContact O-N 3.4Å; E633-Q637 VanDerWaalsContact O-N 3.08Å
634R84.2Confident84.1Confident132 Ų13273.3 Ų73.350%0.49836%0.361SS..Hα-helixtrans-65.9-42.6177.1-68.6-178.7-168.7177.95.8112A624 G630 R631 E632 Q637 L638A624-R634 HydrophobicContact CB-CB 4.05Å; G630-R634 WeakPolarHBondContact O-CG 3.42Å; G630-R634 PolarHBondContact O-N 3.16Å; G630-R634 VanDerWaalsContact O-N 3.12Å; R631-R634 PolarHBondContact O-N 3.03Å; E632-R634 PolarHBondContact O-N 3.16Å; R634-Q637 PolarHBondContact O-N 3.14Å; R634-L638 PolarHBondContact O-N 2.98Å
635L84Confident84.6Confident22 Ų2277.8 Ų77.812%0.11538%0.384CS..Hα-helixtrans-64.6-43175.9-73.5171.9000111.2A624 R631 E632 Q637 L638 Y639A624-L635 HydrophobicContact CB-CD2 3.82Å; A624-L635 HydrophobicContact CB-CG 4.22Å; R631-L635 HydrophobicContact CG-CD1 4Å; R631-L635 WeakPolarHBondContact O-CG 3.48Å; R631-L635 PolarHBondContact O-N 2.82Å; E632-L635 PolarHBondContact O-N 3.26Å; L635-Q637 VanDerWaalsContact C-N 3.32Å; L635-Q637 PolarHBondContact O-N 2.8Å; L635-L638 WeakPolarHBondContact O-CB 3.5Å; L635-L638 PolarHBondContact O-N 2.84Å; L635-Y639 HydrophobicContact CB-CE2 4Å; L635-Y639 WeakPolarHBondContact O-CB 3.39Å; L635-Y639 WeakPolarHBondContact O-CD1 3.32Å; L635-Y639 WeakPolarHBondContact O-CD2 3.41Å; L635-Y639 PolarHBondContact O-N 3.39Å
636D84.8Confident85.5Confident51 Ų5175.9 Ų75.927%0.27337%0.371SS..Hα-helixtrans-62-38.4178.7-81.1-11.4000112.1R547 E632 E633 Y639 E640R547-D636 WeakPolarHBondContact CD-OD1 3.48Å; E632-D636 WeakPolarHBondContact O-CB 3.32Å; E632-D636 PolarHBondContact O-N 3.33Å; E633-D636 PolarHBondContact O-N 3.26Å; D636-Y639 PolarHBondContact O-N 3.3Å; D636-E640 VanDerWaalsContact O-CB 3.29Å; D636-E640 WeakPolarHBondContact O-CB 3.35Å; D636-E640 PolarHBondContact O-N 3.43Å
637Q87.3Confident86.3Confident140 Ų14074.5 Ų74.565%0.65436%0.36SS*.Hα-helixtrans-62.9-43.4173.7-72.717513.400112.6E633 R634 L635 E640 E641E633-Q637 WeakPolarHBondContact O-CG 3.45Å; E633-Q637 PolarHBondContact O-N 3.4Å; E633-Q637 VanDerWaalsContact O-N 3.08Å; R634-Q637 PolarHBondContact O-N 3.14Å; L635-Q637 VanDerWaalsContact C-N 3.32Å; L635-Q637 PolarHBondContact O-N 2.8Å; Q637-E640 PolarHBondContact O-N 2.66Å; Q637-E641 PolarHBondContact O-N 3.27Å; Q637-E641 VanDerWaalsContact O-N 3.07Å
638L89.6Confident87Confident15 Ų1574 Ų748%0.07936%0.355CS..Hα-helixtrans-65.2-38.6176.6-88.8156.2000112.6W617 R620 A624 R634 L635 E641 I642W617-L638 PolarHBondContact NE1-O 3.41Å; W617-L638 VanDerWaalsContact NE1-O 3.16Å; R620-L638 HydrophobicContact CB-CD1 4.37Å; R620-L638 HydrophobicContact CB-CD2 3.8Å; R620-L638 WeakPolarHBondContact O-CD1 3.49Å; A624-L638 HydrophobicContact CB-CD1 3.47Å; A624-L638 VanDerWaalsContact CB-CD1 3.47Å; R634-L638 PolarHBondContact O-N 2.98Å; L635-L638 WeakPolarHBondContact O-CB 3.5Å; L635-L638 PolarHBondContact O-N 2.84Å; L638-E641 PolarHBondContact O-N 3.31Å; L638-I642 PolarHBondContact O-N 3.39Å
639Y90.4Very high87.9Confident29 Ų2965.9 Ų65.911%0.11431%0.312CS..Hα-helixtrans-65.7-42.8175.1-65.6-16.5000111.4L541 W617 H621 L635 D636 E641 I642 E643L541-Y639 HydrophobicContact CB-CD1 4.44Å; L541-Y639 HydrophobicContact CB-CG 4.48Å; L541-Y639 HydrophobicContact CD2-CD1 3.38Å; L541-Y639 HydrophobicContact CD2-CE1 4.1Å; L541-Y639 HydrophobicContact CD2-CG 3.64Å; L541-Y639 HydrophobicContact CG-CD1 3.61Å; L541-Y639 HydrophobicContact CG-CE1 3.79Å; L541-Y639 HydrophobicContact CG-CG 4.05Å; W617-Y639 HydrophobicContact CH2-CD1 4.4Å; W617-Y639 HydrophobicContact CH2-CE1 4.18Å; W617-Y639 AromaticContact CZ2-CD1 3.95Å; W617-Y639 HydrophobicContact CZ2-CD1 3.95Å; W617-Y639 HydrophobicContact CZ2-CE1 4.14Å; H621-Y639 AromaticContact CD2-CE1 3.63Å; H621-Y639 AromaticContact NE2-CE1 3.58Å; H621-Y639 AromaticContact NE2-CZ 3.82Å; H621-Y639 PolarHBondContact NE2-OH 3.04Å; H621-Y639 VanDerWaalsContact NE2-OH 3.15Å; L635-Y639 HydrophobicContact CB-CE2 4Å; L635-Y639 WeakPolarHBondContact O-CB 3.39Å; L635-Y639 WeakPolarHBondContact O-CD1 3.32Å; L635-Y639 WeakPolarHBondContact O-CD2 3.41Å; L635-Y639 PolarHBondContact O-N 3.39Å; D636-Y639 PolarHBondContact O-N 3.3Å; Y639-E641 VanDerWaalsContact C-N 3.29Å; Y639-E641 PolarHBondContact O-N 3Å; Y639-I642 WeakPolarHBondContact O-CG2 3.42Å; Y639-E643 WeakPolarHBondContact O-CB 3.35Å; Y639-E643 WeakPolarHBondContact O-CG 3.5Å; Y639-E643 PolarHBondContact O-N 3.34Å; Y639-E643 VanDerWaalsContact O-OE2 3.12Å
640E89.5Confident88.7Confident59 Ų5958.2 Ų58.228%0.27628%0.276SS..Hα-helixtrans-63.9-33.1177-165.662.9-136.900112.8R549 R575 D636 Q637R549-E640 IonicContact CZ-OE2 2.76Å; R549-E640 IonicContact NH1-OE2 2.72Å; R549-E640 IonicContact NH2-OE1 2.73Å; R549-E640 IonicContact NH2-OE2 3.43Å; R549-E640 PolarHBondContact NH2-OE2 3.22Å; R575-E640 IonicContact CZ-OE1 3.07Å; R575-E640 IonicContact CZ-OE2 2.77Å; R575-E640 IonicContact NE-OE1 2.67Å; R575-E640 PolarHBondContact NE-OE1 3.39Å; R575-E640 IonicContact NE-OE2 2.66Å; R575-E640 IonicContact NH2-OE1 2.96Å; R575-E640 PolarHBondContact NH2-OE1 3.06Å; R575-E640 IonicContact NH2-OE2 2.76Å; R575-E640 PolarHBondContact NH2-OE2 2.89Å; R575-E640 VanDerWaalsContact NH2-OE2 3.08Å; D636-E640 VanDerWaalsContact O-CB 3.29Å; D636-E640 WeakPolarHBondContact O-CB 3.35Å; D636-E640 PolarHBondContact O-N 3.43Å; Q637-E640 PolarHBondContact O-N 2.66Å
641E91.1Very high89.6Confident70 Ų7056.3 Ų56.333%0.32726%0.257SS..Hα-helixtrans-67.9-51.5177.6-172.3-164.6135.600112.5Y613 R620 Q637 L638 Y639 E643 K644Y613-E641 PolarHBondContact OH-OE1 3.08Å; R620-E641 IonicContact CZ-OE1 2.64Å; R620-E641 IonicContact CZ-OE2 2.62Å; R620-E641 IonicContact NH1-OE1 3.65Å; R620-E641 IonicContact NH1-OE2 3.99Å; R620-E641 PolarHBondContact NH1-OE2 2.91Å; R620-E641 IonicContact NH2-OE1 2.78Å; R620-E641 PolarHBondContact NH2-OE1 3.01Å; R620-E641 IonicContact NH2-OE2 2.72Å; R620-E641 PolarHBondContact NH2-OE2 3.4Å; Q637-E641 PolarHBondContact O-N 3.27Å; Q637-E641 VanDerWaalsContact O-N 3.07Å; L638-E641 PolarHBondContact O-N 3.31Å; Y639-E641 VanDerWaalsContact C-N 3.29Å; Y639-E641 PolarHBondContact O-N 3Å; E641-E643 VanDerWaalsContact C-N 3.29Å; E641-E643 PolarHBondContact O-N 2.88Å; E641-K644 PolarHBondContact O-N 3.2Å
642I92.8Very high90.3Very high0 Ų050.2 Ų50.20%023%0.234CC..Hα-helixtrans-69.8-28.6-173.2-169157.7000112.7L541 I553 K607 L609 Y613 M614 W617 L638 Y639 K644L541-I642 HydrophobicContact CD2-CG2 4.02Å; I553-I642 HydrophobicContact CD1-CD1 3.64Å; K607-I642 PolarHBondContact NZ-O 3.16Å; L609-I642 HydrophobicContact CD1-CD1 3.98Å; L609-I642 HydrophobicContact CD1-CG1 4.4Å; L609-I642 HydrophobicContact CD2-CG1 4.22Å; Y613-I642 HydrophobicContact CE1-CD1 4.25Å; Y613-I642 HydrophobicContact CE1-CG1 4.16Å; M614-I642 HydrophobicContact SD-CD1 4.22Å; W617-I642 HydrophobicContact CD2-CD1 3.77Å; W617-I642 HydrophobicContact CE3-CD1 4.33Å; W617-I642 HydrophobicContact CG-CD1 3.9Å; W617-I642 HydrophobicContact CZ2-CD1 4.3Å; W617-I642 HydrophobicContact CZ2-CG2 4.03Å; L638-I642 PolarHBondContact O-N 3.39Å; Y639-I642 WeakPolarHBondContact O-CG2 3.42Å; I642-K644 VanDerWaalsContact C-N 3.3Å; I642-K644 PolarHBondContact O-N 2.81Å
643E93.8Very high91Very high0 Ų044.8 Ų44.80%021%0.208CC..THydrogen-bonded Turntrans-82.47.4-176.9-66.8172.6149.400114.5L541 R547 R549 S551 L563 R575 Y639 E641 M646L541-E643 HydrophobicContact CD2-CG 4.25Å; L541-E643 WeakPolarHBondContact CD2-OE1 3.47Å; R547-E643 IonicContact CZ-OE2 3.77Å; R547-E643 IonicContact NH2-OE1 3.36Å; R547-E643 PolarHBondContact NH2-OE1 3.48Å; R547-E643 IonicContact NH2-OE2 2.66Å; R547-E643 PolarHBondContact NH2-OE2 2.96Å; R549-E643 IonicContact CZ-OE2 3.82Å; R549-E643 IonicContact NE-OE1 2.93Å; R549-E643 IonicContact NE-OE2 2.78Å; R549-E643 PolarHBondContact NE-OE2 3.46Å; R549-E643 IonicContact NH2-OE2 3.76Å; R549-E643 PolarHBondContact NH2-OE2 2.85Å; S551-E643 VanDerWaalsContact CB-OE1 3.27Å; S551-E643 WeakPolarHBondContact CB-OE1 3.29Å; S551-E643 PolarHBondContact OG-OE1 3.26Å; L563-E643 HydrophobicContact CD2-CG 4.28Å; R575-E643 WeakPolarHBondContact CB-O 3.49Å; Y639-E643 WeakPolarHBondContact O-CB 3.35Å; Y639-E643 WeakPolarHBondContact O-CG 3.5Å; Y639-E643 PolarHBondContact O-N 3.34Å; Y639-E643 VanDerWaalsContact O-OE2 3.12Å; E641-E643 VanDerWaalsContact C-N 3.29Å; E641-E643 PolarHBondContact O-N 2.88Å; E643-M646 VanDerWaalsContact O-CE 3.27Å; E643-M646 WeakPolarHBondContact O-CE 3.43Å; E643-M646 WeakPolarHBondContact O-CG 3.31Å
644K92.4Very high91.4Very high107 Ų10738 Ų3847%0.46518%0.177SC..SBendtrans-81.9157.8173.8-69.7179.6-177.7178.40112.8K607 E641 I642 M646K607-K644 VanDerWaalsContact CD-O 3.31Å; K607-K644 WeakPolarHBondContact CD-O 3.38Å; K607-K644 WeakPolarHBondContact CE-O 3.36Å; K607-K644 PolarHBondContact NZ-O 3.37Å; E641-K644 PolarHBondContact O-N 3.2Å; I642-K644 VanDerWaalsContact C-N 3.3Å; I642-K644 PolarHBondContact O-N 2.81Å; K644-M646 PolarHBondContact O-N 2.81Å
645D93.1Very high91.5Very high100 Ų10034.6 Ų34.654%0.53517%0.167SC..SBendtrans58.144.3174.8-49.1-46000113.7R575R575-D645 PolarHBondContact O-N 2.79Å
646M95Very high91.6Very high0 Ų034 Ų340%016%0.163CC..BIsolated β-bridgetrans-83.1156.2176.9-59.7-176.6-66.700112.2L563 C565 I572 R575 L576 D577 A605 K607 E643 K644L563-M646 HydrophobicContact CD2-CG 4.34Å; L563-M646 HydrophobicContact CD2-SD 3.98Å; C565-M646 HydrophobicContact CB-CE 4.23Å; C565-M646 HydrophobicContact CB-SD 3.56Å; C565-M646 VanDerWaalsContact CB-SD 3.56Å; I572-M646 HydrophobicContact CD1-CE 4.12Å; I572-M646 HydrophobicContact CG2-CE 4.4Å; R575-M646 HydrophobicContact CB-CE 3.82Å; R575-M646 PolarHBondContact O-N 2.84Å; L576-M646 CarbonylContact C-O 3.57Å; L576-M646 VanDerWaalsContact CA-O 3.3Å; L576-M646 WeakPolarHBondContact CA-O 3.44Å; L576-M646 HydrophobicContact CD2-CB 4.3Å; L576-M646 WeakPolarHBondContact CD2-O 3.44Å; D577-M646 PolarHBondContact N-O 3.43Å; A605-M646 HydrophobicContact CB-CB 3.92Å; A605-M646 HydrophobicContact CB-CE 4.26Å; A605-M646 HydrophobicContact CB-SD 4.28Å; K607-M646 HydrophobicContact CB-CG 4.19Å; E643-M646 VanDerWaalsContact O-CE 3.27Å; E643-M646 WeakPolarHBondContact O-CE 3.43Å; E643-M646 WeakPolarHBondContact O-CG 3.31Å; K644-M646 PolarHBondContact O-N 2.81Å
647I95.2Very high91.5Very high58 Ų5834.8 Ų34.830%0.29717%0.165SC..EExtended strand (participates in β ladder)trans-98.1131.8174.8-55.5-59.9000109.9D577 A605 Y606D577-I647 HydrophobicContact CB-CD1 3.96Å; A605-I647 CarbonylContact C-O 3.58Å; A605-I647 WeakPolarHBondContact CA-O 3.17Å; A605-I647 WeakPolarHBondContact CB-O 3.29Å; Y606-I647 HydrophobicContact CD1-CB 4.14Å; Y606-I647 HydrophobicContact CE1-CB 3.77Å; Y606-I647 HydrophobicContact CE1-CG2 3.77Å; Y606-I647 PolarHBondContact N-O 3.49Å; Y606-I647 PolarHBondContact O-N 3.08Å
648L95.2Very high91.5Very high6 Ų629.6 Ų29.63%0.03114%0.141CC..EExtended strand (participates in β ladder)trans-75.5122.8179.6177.162.1000110.9Y573 L576 C580 L583 M584 V603Y573-L648 HydrophobicContact CE1-CD1 4.4Å; Y573-L648 HydrophobicContact CE1-CD2 4.42Å; L576-L648 HydrophobicContact CD1-CB 3.86Å; L576-L648 HydrophobicContact CD1-CD1 4.32Å; L576-L648 HydrophobicContact CD1-CD2 4.14Å; L576-L648 HydrophobicContact CD1-CG 4.34Å; L576-L648 HydrophobicContact CD2-CB 3.93Å; C580-L648 HydrophobicContact CB-CB 4.19Å; C580-L648 PolarHBondContact SG-N 3.36Å; C580-L648 VanDerWaalsContact SG-N 3.45Å; L583-L648 HydrophobicContact CB-CD2 4.37Å; L583-L648 HydrophobicContact CD2-CB 4.16Å; L583-L648 HydrophobicContact CD2-CD2 4.04Å; L583-L648 HydrophobicContact CD2-CG 4.01Å; L583-L648 WeakPolarHBondContact CD2-O 3.41Å; L583-L648 HydrophobicContact CG-CD2 3.84Å; L583-L648 HydrophobicContact CG-CG 4.34Å; M584-L648 HydrophobicContact CB-CD2 4.44Å; V603-L648 HydrophobicContact CG1-CD1 3.44Å; V603-L648 VanDerWaalsContact CG1-CD1 3.44Å
649L94.3Very high91.5Very high8 Ų829.5 Ų29.54%0.04214%0.14CC..EExtended strand (participates in β ladder)trans-88.7-43.2170.9-75.5162.4000111.5N416 A472 L476 L604 Y606N416-L649 PolarHBondContact N-O 2.67Å; A472-L649 HydrophobicContact CB-CD2 3.85Å; L476-L649 HydrophobicContact CD1-CD1 3.62Å; L604-L649 HydrophobicContact CB-CB 4.44Å; L604-L649 PolarHBondContact O-N 2.82Å; Y606-L649 HydrophobicContact CD1-CD1 3.59Å; Y606-L649 HydrophobicContact CD1-CD2 3.78Å; Y606-L649 HydrophobicContact CD1-CG 3.45Å; Y606-L649 VanDerWaalsContact CD1-CG 3.45Å; Y606-L649 HydrophobicContact CE1-CD1 4.31Å; Y606-L649 HydrophobicContact CE1-CD2 3.62Å; Y606-L649 HydrophobicContact CE1-CG 3.78Å; Y606-L649 HydrophobicContact CG-CD1 4.14Å; Y606-L649 HydrophobicContact CG-CG 4.45Å
650G94.6Very high91.3Very high0 Ų031 Ų310%015%0.15CC..EExtended strand (participates in β ladder)trans163.8-160.1-170.500000114.2S414 L604S414-G650 CarbonylContact O-C 3.54Å; S414-G650 WeakPolarHBondContact O-CA 3.47Å; L604-G650 PolarHBondContact N-O 3.04Å; L604-G650 PolarHBondContact O-N 2.97Å
651A95.1Very high91.1Very high0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-141.2150.5175.600000111.7C413 S414 T587 L591 L602 V603C413-A651 CarbonylContact C-O 3.6Å; C413-A651 VanDerWaalsContact CA-O 3.31Å; C413-A651 WeakPolarHBondContact CA-O 3.32Å; C413-A651 WeakPolarHBondContact CB-O 3.24Å; S414-A651 PolarHBondContact N-O 3.37Å; S414-A651 PolarHBondContact O-N 3.25Å; T587-A651 HydrophobicContact CG2-CB 3.91Å; L591-A651 HydrophobicContact CD2-CB 3.67Å; L591-A651 HydrophobicContact CG-CB 4.23Å; L602-A651 CarbonylContact O-C 3.57Å; L602-A651 WeakPolarHBondContact O-CA 3.28Å; L602-A651 WeakPolarHBondContact O-CB 3.41Å; V603-A651 HydrophobicContact CG2-CB 4.47Å
652T95Very high91.1Very high0 Ų026.1 Ų26.10%014%0.135CC..EExtended strand (participates in β ladder)trans-106.6155.3171.961.80000110.1F410 F473 L477 L505 T601 L602 L604F410-T652 HydrophobicContact CE2-CG2 4.13Å; F473-T652 HydrophobicContact CE1-CG2 4.08Å; F473-T652 HydrophobicContact CE2-CG2 4.23Å; F473-T652 HydrophobicContact CZ-CG2 3.43Å; F473-T652 VanDerWaalsContact CZ-CG2 3.43Å; L477-T652 HydrophobicContact CD1-CG2 4.13Å; L477-T652 HydrophobicContact CD2-CG2 4.11Å; L505-T652 HydrophobicContact CD2-CG2 3.79Å; T601-T652 VanDerWaalsContact CA-O 3.28Å; T601-T652 WeakPolarHBondContact CA-O 3.32Å; L602-T652 PolarHBondContact N-O 3.04Å; L602-T652 VanDerWaalsContact N-O 3.09Å; L602-T652 PolarHBondContact O-N 2.96Å; L604-T652 HydrophobicContact CD1-CG2 3.86Å; L604-T652 HydrophobicContact CG-CG2 4.29Å
653A92Very high90.9Very high0 Ų027.8 Ų27.80%015%0.145CC..EExtended strand (participates in β ladder)trans-132.1117.9171.600000109.6N411 K412 Y594 L599 R600N411-A653 PolarHBondContact N-O 2.84Å; K412-A653 HydrophobicContact CB-CB 3.96Å; K412-A653 PolarHBondContact N-O 3.41Å; K412-A653 WeakPolarHBondContact O-CB 3.46Å; K412-A653 PolarHBondContact O-N 2.97Å; Y594-A653 HydrophobicContact CD1-CB 4.45Å; Y594-A653 HydrophobicContact CD2-CB 3.67Å; Y594-A653 HydrophobicContact CE2-CB 4.12Å; Y594-A653 HydrophobicContact CG-CB 3.85Å; L599-A653 HydrophobicContact CB-CB 3.98Å; L599-A653 HydrophobicContact CD1-CB 3.78Å; R600-A653 CarbonylContact O-C 3.58Å; R600-A653 WeakPolarHBondContact O-CA 3.4Å
654V90.1Very high90.6Very high2 Ų231.2 Ų31.21%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-108.5130.1179.6178.70000108.6M408 T409 A504 L505 R600M408-V654 HydrophobicContact CB-CG1 3.84Å; T409-V654 WeakPolarHBondContact O-CA 3.41Å; A504-V654 HydrophobicContact CB-CG1 4.24Å; L505-V654 HydrophobicContact CD2-CG2 3.9Å; L505-V654 HydrophobicContact CG-CG2 4.27Å; R600-V654 WeakPolarHBondContact CB-O 3.44Å; R600-V654 PolarHBondContact N-O 3.32Å; R600-V654 PolarHBondContact O-N 2.79Å
655E86.4Confident90.6Very high60 Ų6026.1 Ų26.128%0.2814%0.139SC..EExtended strand (participates in β ladder)trans-91.3128175.2-172.2-177-175.200110.1M408 T409 N411 L599 K657M408-E655 WeakPolarHBondContact CA-O 3.12Å; T409-E655 PolarHBondContact N-O 2.83Å; T409-E655 PolarHBondContact O-N 3.01Å; N411-E655 HydrophobicContact CB-CB 4.05Å; N411-E655 PolarHBondContact ND2-OE2 3.25Å; L599-E655 HydrophobicContact CD2-CB 3.59Å; L599-E655 HydrophobicContact CD2-CG 3.89Å; E655-K657 HydrophobicContact CG-CG 4.21Å; E655-K657 PolarHBondContact O-N 2.85Å
656D85.3Confident90.5Very high8 Ų821.7 Ų21.74%0.04312%0.116CC..EExtended strand (participates in β ladder)trans-87.698.5163-174.4-2.9000107.9K399 T404 M408 R600 L658 I690K399-D656 IonicContact NZ-OD2 2.88Å; T404-D656 WeakPolarHBondContact CB-OD1 3.36Å; T404-D656 WeakPolarHBondContact CG2-OD1 3.34Å; M408-D656 HydrophobicContact CE-CB 4.03Å; M408-D656 VanDerWaalsContact CE-CG 3.5Å; M408-D656 HydrophobicContact SD-CB 3.6Å; M408-D656 VanDerWaalsContact SD-CB 3.6Å; R600-D656 IonicContact CZ-OD2 3.46Å; R600-D656 IonicContact NE-OD2 2.78Å; R600-D656 IonicContact NH2-OD2 3.93Å; R600-D656 PolarHBondContact NH2-OD2 3.36Å; D656-L658 PolarHBondContact O-N 3.41Å; D656-I690 HydrophobicContact CB-CD1 4.04Å
657K83.4Confident90.2Very high69 Ų6924.9 Ų24.930%0.313%0.13SC..EExtended strand (participates in β ladder)trans-64.3124.1-169-78.3-169.8168.8178.20111.3T404 Q405 I407 T409 E655T404-K657 CarbonylContact C-O 3.45Å; T404-K657 WeakPolarHBondContact CA-O 3.44Å; Q405-K657 PolarHBondContact N-O 3.15Å; I407-K657 PolarHBondContact O-N 3.06Å; I407-K657 VanDerWaalsContact O-N 3.14Å; T409-K657 HydrophobicContact CG2-CD 4.03Å; T409-K657 VanDerWaalsContact OG1-CE 3.25Å; T409-K657 WeakPolarHBondContact OG1-CE 3.2Å; E655-K657 HydrophobicContact CG-CG 4.21Å; E655-K657 PolarHBondContact O-N 2.85Å
658L87.8Confident90Very high30 Ų3023.8 Ų23.816%0.15712%0.124CC..EExtended strand (participates in β ladder)trans-68154.6169.2-61.8-176.2000111.1L403 T404 Q405 D656 P663 I690 S693L403-L658 CarbonylContact O-C 3.59Å; L403-L658 WeakPolarHBondContact O-CA 3.48Å; T404-L658 HydrophobicContact CG2-CD2 4.05Å; Q405-L658 PolarHBondContact NE2-O 3.22Å; D656-L658 PolarHBondContact O-N 3.41Å; L658-P663 HydrophobicContact CD1-CG 3.84Å; L658-I690 HydrophobicContact CD2-CD1 4.07Å; L658-I690 HydrophobicContact CD2-CG2 4.25Å; L658-S693 WeakPolarHBondContact CD1-O 3.45Å
659Q88.2Confident89.9Confident14 Ų1423.5 Ų23.57%0.06512%0.123CC..PPolyproline II helixtrans-64.6152.2166.5-59.4-165.63.300110.9G401 T402 L403 Q405 G661 V662 Q857G401-Q659 PolarHBondContact O-NE2 2.9Å; T402-Q659 PolarHBondContact O-NE2 3.21Å; T402-Q659 VanDerWaalsContact O-NE2 3.16Å; L403-Q659 PolarHBondContact O-N 3.19Å; Q405-Q659 HydrophobicContact CG-CB 4.37Å; Q405-Q659 HydrophobicContact CG-CG 3.94Å; Q659-G661 PolarHBondContact O-N 3.37Å; Q659-V662 HydrophobicContact CB-CG2 3.67Å; Q659-V662 VanDerWaalsContact O-CG2 3.31Å; Q659-V662 WeakPolarHBondContact O-CG2 3.33Å; Q659-V662 PolarHBondContact O-N 3.27Å; Q659-Q857 VanDerWaalsContact OE1-CA 3.24Å
660D86.6Confident89.6Confident60 Ų6024.5 Ų24.532%0.32113%0.132SC..THydrogen-bonded Turntrans-56.1124.7-179.8-55.1-33000110.9Q857 R859D660-Q857 PolarHBondContact OD2-NE2 3.33Å; D660-R859 VanDerWaalsContact O-CB 3.29Å; D660-R859 WeakPolarHBondContact O-CB 3.3Å; D660-R859 WeakPolarHBondContact O-CD 3.4Å
661G85.6Confident89.4Confident27 Ų2729.3 Ų29.328%0.27815%0.153SC..THydrogen-bonded Turntrans82.47.3172.400000115.8Q659 Q664 T665Q659-G661 PolarHBondContact O-N 3.37Å; G661-Q664 VanDerWaalsContact C-OE1 3.22Å; G661-Q664 PolarHBondContact O-OE1 3.07Å; G661-T665 WeakPolarHBondContact O-CB 3.47Å; G661-T665 PolarHBondContact O-N 3.13Å; G661-T665 PolarHBondContact O-OG1 3.42Å
662V90.8Very high89.1Confident0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-59.8-53.1-179.4166.90000113L403 Q659 Q664 T665 I666 F858L403-V662 HydrophobicContact CB-CG1 4.46Å; L403-V662 HydrophobicContact CD2-CG1 3.77Å; Q659-V662 HydrophobicContact CB-CG2 3.67Å; Q659-V662 VanDerWaalsContact O-CG2 3.31Å; Q659-V662 WeakPolarHBondContact O-CG2 3.33Å; Q659-V662 PolarHBondContact O-N 3.27Å; V662-Q664 VanDerWaalsContact C-N 3.31Å; V662-Q664 PolarHBondContact O-N 2.82Å; V662-T665 WeakPolarHBondContact O-CB 3.48Å; V662-T665 PolarHBondContact O-N 3.44Å; V662-T665 VanDerWaalsContact O-N 3.13Å; V662-I666 HydrophobicContact CG1-CD1 3.71Å; V662-I666 WeakPolarHBondContact O-CG1 3.38Å; V662-I666 PolarHBondContact O-N 3.06Å; V662-F858 HydrophobicContact CB-CD1 4.42Å; V662-F858 HydrophobicContact CG1-CD1 4.39Å; V662-F858 HydrophobicContact CG2-CB 3.9Å; V662-F858 HydrophobicContact CG2-CD1 3.87Å; V662-F858 HydrophobicContact CG2-CG 4.13Å
663P88Confident88.9Confident34 Ų3433.5 Ų33.522%0.22118%0.175CC..Hα-helixtrans-59.6-41.2-178.7-23.233.5000112.6L658 T665 I666 E667L658-P663 HydrophobicContact CD1-CG 3.84Å; P663-T665 VanDerWaalsContact C-N 3.34Å; P663-T665 PolarHBondContact O-N 2.88Å; P663-I666 PolarHBondContact O-N 2.93Å; P663-E667 PolarHBondContact O-N 3.24Å
664Q88.4Confident88.9Confident73 Ų7333.8 Ų33.834%0.34118%0.176SC..Hα-helixtrans-65.4-40178.7-61.182.61.300111.3G661 V662 E667 Q668G661-Q664 VanDerWaalsContact C-OE1 3.22Å; G661-Q664 PolarHBondContact O-OE1 3.07Å; V662-Q664 VanDerWaalsContact C-N 3.31Å; V662-Q664 PolarHBondContact O-N 2.82Å; Q664-E667 PolarHBondContact O-N 2.88Å; Q664-Q668 WeakPolarHBondContact O-CB 3.43Å; Q664-Q668 WeakPolarHBondContact O-CG 3.49Å; Q664-Q668 PolarHBondContact O-N 3.44Å
665T92.6Very high89Confident0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-64.6-45.1178.8-61.70000110.9G661 V662 P663 E667 Q668 L669 F858 R859 L861 Q862G661-T665 WeakPolarHBondContact O-CB 3.47Å; G661-T665 PolarHBondContact O-N 3.13Å; G661-T665 PolarHBondContact O-OG1 3.42Å; V662-T665 WeakPolarHBondContact O-CB 3.48Å; V662-T665 PolarHBondContact O-N 3.44Å; V662-T665 VanDerWaalsContact O-N 3.13Å; P663-T665 VanDerWaalsContact C-N 3.34Å; P663-T665 PolarHBondContact O-N 2.88Å; T665-E667 PolarHBondContact O-N 3.12Å; T665-Q668 PolarHBondContact O-N 2.86Å; T665-L669 HydrophobicContact CG2-CD1 3.91Å; T665-L669 HydrophobicContact CG2-CG 4.48Å; T665-L669 WeakPolarHBondContact O-CB 3.35Å; T665-L669 WeakPolarHBondContact O-CG 3.47Å; T665-L669 PolarHBondContact O-N 2.97Å; T665-F858 HydrophobicContact CG2-CD1 3.88Å; T665-F858 HydrophobicContact CG2-CE1 3.61Å; T665-R859 WeakPolarHBondContact OG1-CA 3.4Å; T665-L861 HydrophobicContact CG2-CB 4.47Å; T665-Q862 HydrophobicContact CG2-CB 3.89Å; T665-Q862 HydrophobicContact CG2-CG 3.91Å
666I91.8Very high89.3Confident7 Ų732.8 Ų32.84%0.03617%0.172CC..Hα-helixtrans-60.8-45.4177.6-74.2169.9000111L403 V662 P663 Q668 L669 A670 I676 C694 M696 F858L403-I666 HydrophobicContact CD2-CD1 4.18Å; V662-I666 HydrophobicContact CG1-CD1 3.71Å; V662-I666 WeakPolarHBondContact O-CG1 3.38Å; V662-I666 PolarHBondContact O-N 3.06Å; P663-I666 PolarHBondContact O-N 2.93Å; I666-Q668 PolarHBondContact O-N 3.03Å; I666-L669 PolarHBondContact O-N 2.82Å; I666-A670 WeakPolarHBondContact O-CB 3.3Å; I666-A670 PolarHBondContact O-N 3.48Å; I666-I676 HydrophobicContact CB-CD1 4.24Å; I666-I676 HydrophobicContact CG1-CD1 3.97Å; I666-I676 HydrophobicContact CG2-CD1 4.12Å; I666-C694 HydrophobicContact CD1-CB 3.69Å; I666-M696 HydrophobicContact CD1-CG 3.84Å; I666-M696 HydrophobicContact CD1-SD 3.86Å; I666-M696 HydrophobicContact CG2-CG 3.61Å; I666-F858 HydrophobicContact CG1-CE1 4.02Å; I666-F858 HydrophobicContact CG1-CZ 4.34Å
667E88.2Confident89.9Confident66 Ų6632.8 Ų32.831%0.30817%0.171SC..Hα-helixtrans-61.9-43.6177.9-169.1-167.1158.400112.1P663 Q664 T665 L669 A670 K671P663-E667 PolarHBondContact O-N 3.24Å; Q664-E667 PolarHBondContact O-N 2.88Å; T665-E667 PolarHBondContact O-N 3.12Å; E667-L669 PolarHBondContact O-N 2.83Å; E667-A670 PolarHBondContact O-N 3.45Å; E667-K671 WeakPolarHBondContact O-CG 3.33Å; E667-K671 PolarHBondContact O-N 2.86Å; E667-K671 WeakPolarHBondContact OE1-CE 3.35Å; E667-K671 IonicContact OE1-NZ 3.65Å; E667-K671 PolarHBondContact OE1-NZ 3.36Å
668Q90.1Very high90.4Very high36 Ų3629.9 Ų29.917%0.16816%0.159CC..Hα-helixtrans-64.2-40.1178.2-70.3-65.1-2300112.2Q664 T665 I666 K671 A672 L866 F942Q664-Q668 WeakPolarHBondContact O-CB 3.43Å; Q664-Q668 WeakPolarHBondContact O-CG 3.49Å; Q664-Q668 PolarHBondContact O-N 3.44Å; T665-Q668 PolarHBondContact O-N 2.86Å; I666-Q668 PolarHBondContact O-N 3.03Å; Q668-K671 PolarHBondContact O-N 2.98Å; Q668-A672 PolarHBondContact O-N 2.84Å; Q668-L866 HydrophobicContact CB-CD1 4.32Å; Q668-F942 PolarHBondContact OE1-O 2.81Å
669L92.8Very high90.7Very high0 Ų028.4 Ų28.40%015%0.151CC..Hα-helixtrans-69.1-39175.9-66.5172.3000111.6I395 T665 I666 E667 K671 A672 I674 I676 L861 L865I395-L669 HydrophobicContact CD1-CD1 3.85Å; T665-L669 HydrophobicContact CG2-CD1 3.91Å; T665-L669 HydrophobicContact CG2-CG 4.48Å; T665-L669 WeakPolarHBondContact O-CB 3.35Å; T665-L669 WeakPolarHBondContact O-CG 3.47Å; T665-L669 PolarHBondContact O-N 2.97Å; I666-L669 PolarHBondContact O-N 2.82Å; E667-L669 PolarHBondContact O-N 2.83Å; L669-K671 VanDerWaalsContact C-N 3.35Å; L669-K671 PolarHBondContact O-N 3.12Å; L669-A672 WeakPolarHBondContact O-CA 3.42Å; L669-A672 WeakPolarHBondContact O-CB 3.39Å; L669-A672 PolarHBondContact O-N 3.38Å; L669-A672 VanDerWaalsContact O-N 3.08Å; L669-I674 HydrophobicContact CB-CB 4.42Å; L669-I674 HydrophobicContact CB-CD1 4.43Å; L669-I674 HydrophobicContact CD2-CD1 3.74Å; L669-I674 WeakPolarHBondContact O-CB 3.47Å; L669-I674 PolarHBondContact O-N 3.29Å; L669-I674 VanDerWaalsContact O-N 3.13Å; L669-I676 HydrophobicContact CB-CD1 4.16Å; L669-I676 HydrophobicContact CD1-CD1 4.23Å; L669-L861 HydrophobicContact CD1-CD2 4.13Å; L669-L861 HydrophobicContact CD1-CG 4.39Å; L669-L865 HydrophobicContact CD2-CB 4.45Å; L669-L865 HydrophobicContact CD2-CD1 3.99Å
670A89.2Confident90.7Very high29 Ų2927.8 Ų27.824%0.2415%0.148CC..Hα-helixtrans-63-39.8174.400000111.8I666 E667 A672 D673I666-A670 WeakPolarHBondContact O-CB 3.3Å; I666-A670 PolarHBondContact O-N 3.48Å; E667-A670 PolarHBondContact O-N 3.45Å; A670-A672 PolarHBondContact O-N 2.92Å; A670-D673 PolarHBondContact O-N 3.26Å
671K89.4Confident90.5Very high101 Ų10127.1 Ų27.144%0.43916%0.155SC..Hα-helixtrans-63.6-22173-74.6175.5-175.1168.20113.7E667 Q668 L669 D673 P945E667-K671 WeakPolarHBondContact O-CG 3.33Å; E667-K671 PolarHBondContact O-N 2.86Å; E667-K671 WeakPolarHBondContact OE1-CE 3.35Å; E667-K671 IonicContact OE1-NZ 3.65Å; E667-K671 PolarHBondContact OE1-NZ 3.36Å; Q668-K671 PolarHBondContact O-N 2.98Å; L669-K671 VanDerWaalsContact C-N 3.35Å; L669-K671 PolarHBondContact O-N 3.12Å; K671-D673 VanDerWaalsContact C-N 3.27Å; K671-P945 HydrophobicContact CB-CB 4.14Å; K671-P945 HydrophobicContact CB-CG 4.11Å
672A90.4Very high90.1Very high0 Ų027.9 Ų27.90%015%0.153CC..THydrogen-bonded Turntrans-87.210.5173.300000113.4Q668 L669 A670 I674 L866 P945 Y948 Q952Q668-A672 PolarHBondContact O-N 2.84Å; L669-A672 WeakPolarHBondContact O-CA 3.42Å; L669-A672 WeakPolarHBondContact O-CB 3.39Å; L669-A672 PolarHBondContact O-N 3.38Å; L669-A672 VanDerWaalsContact O-N 3.08Å; A670-A672 PolarHBondContact O-N 2.92Å; A672-I674 VanDerWaalsContact C-N 3.28Å; A672-I674 HydrophobicContact CB-CD1 4.07Å; A672-I674 HydrophobicContact CB-CG1 4.21Å; A672-I674 PolarHBondContact O-N 3.38Å; A672-L866 HydrophobicContact CB-CD2 3.77Å; A672-P945 HydrophobicContact CB-CB 3.89Å; A672-Y948 HydrophobicContact CB-CG 4.5Å; A672-Q952 PolarHBondContact O-NE2 3.17Å
673D89.9Confident89.4Confident88 Ų8830 Ų3047%0.47116%0.162SC..THydrogen-bonded Turntrans58.537.1-175.2-164.636000112.9A670 K671 Q952A670-D673 PolarHBondContact O-N 3.26Å; K671-D673 VanDerWaalsContact C-N 3.27Å; D673-Q952 PolarHBondContact O-NE2 3.1Å
674I92.4Very high89.1Confident5 Ų530.1 Ų30.13%0.02616%0.16CC..  trans-99121.5172.7-57.4168.4000108.7I392 I395 L669 A672 L865 Y948I392-I674 HydrophobicContact CG2-CG2 4.5Å; I395-I674 HydrophobicContact CB-CG2 4.48Å; I395-I674 HydrophobicContact CD1-CG2 3.52Å; I395-I674 HydrophobicContact CG1-CG2 3.66Å; L669-I674 HydrophobicContact CB-CB 4.42Å; L669-I674 HydrophobicContact CB-CD1 4.43Å; L669-I674 HydrophobicContact CD2-CD1 3.74Å; L669-I674 WeakPolarHBondContact O-CB 3.47Å; L669-I674 PolarHBondContact O-N 3.29Å; L669-I674 VanDerWaalsContact O-N 3.13Å; A672-I674 VanDerWaalsContact C-N 3.28Å; A672-I674 HydrophobicContact CB-CD1 4.07Å; A672-I674 HydrophobicContact CB-CG1 4.21Å; A672-I674 PolarHBondContact O-N 3.38Å; I674-L865 HydrophobicContact CD1-CD1 4.39Å; I674-Y948 HydrophobicContact CD1-CD1 4.07Å; I674-Y948 HydrophobicContact CD1-CE1 3.86Å; I674-Y948 HydrophobicContact CG1-CD1 4.32Å; I674-Y948 HydrophobicContact CG1-CE1 4.18Å
675K91.9Very high88.6Confident35 Ų3529.6 Ų29.615%0.15216%0.157CC..EExtended strand (participates in β ladder)trans-84.4129.1178.2-64.6-176.3177.8-1780110.1K393 Y394 I395 C787K393-K675 PolarHBondContact O-N 3.17Å; Y394-K675 WeakPolarHBondContact CA-O 3.48Å; Y394-K675 HydrophobicContact CD1-CB 3.88Å; Y394-K675 HydrophobicContact CD1-CD 4.47Å; Y394-K675 HydrophobicContact CE1-CB 4.01Å; Y394-K675 HydrophobicContact CE1-CD 3.74Å; Y394-K675 HydrophobicContact CE1-CG 4.4Å; I395-K675 PolarHBondContact N-O 2.88Å; K675-C787 PolarHBondContact NZ-O 3.43Å
676I93.7Very high88Confident7 Ų730 Ų304%0.03616%0.16CC..EExtended strand (participates in β ladder)trans-110.9121.5-178.5-51.9-178000109.2I395 I666 L669 M696I395-I676 HydrophobicContact CB-CG1 4.37Å; I395-I676 HydrophobicContact CG2-CG2 4.41Å; I395-I676 CarbonylContact O-C 3.54Å; I395-I676 WeakPolarHBondContact O-CA 3.3Å; I666-I676 HydrophobicContact CB-CD1 4.24Å; I666-I676 HydrophobicContact CG1-CD1 3.97Å; I666-I676 HydrophobicContact CG2-CD1 4.12Å; L669-I676 HydrophobicContact CB-CD1 4.16Å; L669-I676 HydrophobicContact CD1-CD1 4.23Å; I676-M696 HydrophobicContact CB-CE 4.02Å; I676-M696 HydrophobicContact CG2-CE 3.83Å; I676-M696 HydrophobicContact CG2-SD 4.49Å
677W95.9Very high87.7Confident8 Ų829.8 Ų29.83%0.0316%0.16CC..EExtended strand (participates in β ladder)trans-113127.2177.8-67.216.6000108.5Y394 I395 F396 S397 A786 V792 V805 V809Y394-W677 HydrophobicContact CD1-CZ2 4.35Å; Y394-W677 HydrophobicContact CE1-CZ2 4.05Å; I395-W677 PolarHBondContact O-N 3.05Å; F396-W677 CarbonylContact C-O 3.57Å; F396-W677 WeakPolarHBondContact CA-O 3.47Å; F396-W677 HydrophobicContact CD1-CB 3.87Å; F396-W677 HydrophobicContact CD1-CE3 4.24Å; F396-W677 HydrophobicContact CD1-CG 4.45Å; F396-W677 HydrophobicContact CE1-CB 4.18Å; F396-W677 AromaticContact CE1-CD2 3.95Å; F396-W677 HydrophobicContact CE1-CD2 3.95Å; F396-W677 AromaticContact CE1-CE3 3.51Å; F396-W677 HydrophobicContact CE1-CE3 3.51Å; F396-W677 HydrophobicContact CE1-CG 4.28Å; F396-W677 HydrophobicContact CE1-CZ3 4.16Å; F396-W677 HydrophobicContact CZ-CE3 4.43Å; S397-W677 PolarHBondContact N-O 2.72Å; W677-A786 HydrophobicContact CH2-CB 3.52Å; W677-A786 HydrophobicContact CZ2-CB 3.83Å; W677-A786 HydrophobicContact CZ3-CB 4.22Å; W677-V792 CarbonylContact C-O 3.58Å; W677-V792 VanDerWaalsContact CA-O 3.25Å; W677-V792 WeakPolarHBondContact CA-O 3.45Å; W677-V792 HydrophobicContact CB-CB 4.32Å; W677-V792 HydrophobicContact CD2-CB 3.77Å; W677-V792 HydrophobicContact CD2-CG1 4.34Å; W677-V792 HydrophobicContact CD2-CG2 3.92Å; W677-V792 HydrophobicContact CE3-CB 4.27Å; W677-V792 HydrophobicContact CE3-CG1 4.34Å; W677-V792 HydrophobicContact CG-CB 3.76Å; W677-V792 HydrophobicContact CG-CG2 4.18Å; W677-V792 HydrophobicContact CZ2-CG2 3.97Å; W677-V805 HydrophobicContact CE3-CG1 3.95Å; W677-V805 HydrophobicContact CZ3-CG1 3.92Å; W677-V809 HydrophobicContact CE3-CG2 4.49Å; W677-V809 HydrophobicContact CH2-CG2 3.7Å; W677-V809 HydrophobicContact CZ3-CG2 3.66Å
678V95.8Very high87.5Confident7 Ų728.4 Ų28.44%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-97.8121.6178.5-179.40000108.8S397 K399 L403 M696 V792 I793 C794S397-V678 CarbonylContact O-C 3.09Å; S397-V678 WeakPolarHBondContact O-CA 3.27Å; K399-V678 HydrophobicContact CB-CG1 4Å; L403-V678 HydrophobicContact CD1-CG2 4.08Å; V678-M696 HydrophobicContact CG2-CE 3.49Å; V678-M696 VanDerWaalsContact CG2-CE 3.49Å; V678-M696 HydrophobicContact CG2-SD 3.67Å; V678-V792 PolarHBondContact N-O 3.16Å; V678-I793 HydrophobicContact CB-CG1 4.42Å; V678-I793 HydrophobicContact CB-CG2 4.45Å; V678-I793 CarbonylContact O-C 3.55Å; V678-I793 WeakPolarHBondContact O-CA 3.44Å; V678-C794 PolarHBondContact O-N 3.03Å
679L93.6Very high87Confident0 Ų027.4 Ų27.40%015%0.149CC..EExtended strand (participates in β ladder)trans-116.196-179.6-54.9-175.9000108.9F396 S397 C794 V797 K802 V805 V806 M829F396-L679 HydrophobicContact CB-CD1 4.17Å; F396-L679 HydrophobicContact CD1-CD1 3.86Å; F396-L679 HydrophobicContact CD1-CG 4.36Å; F396-L679 HydrophobicContact CG-CD1 4.38Å; S397-L679 PolarHBondContact O-N 3.23Å; L679-C794 HydrophobicContact CD2-CB 3.62Å; L679-C794 WeakPolarHBondContact CD2-SG 3.19Å; L679-V797 HydrophobicContact CB-CG2 4.19Å; L679-K802 HydrophobicContact CB-CD 4.25Å; L679-K802 HydrophobicContact CB-CG 4.04Å; L679-K802 HydrophobicContact CD1-CB 4.25Å; L679-K802 WeakPolarHBondContact O-CE 3.5Å; L679-K802 PolarHBondContact O-NZ 3.3Å; L679-K802 VanDerWaalsContact O-NZ 3.16Å; L679-V805 HydrophobicContact CD1-CB 4.22Å; L679-V805 HydrophobicContact CD1-CG1 4.22Å; L679-V805 HydrophobicContact CD2-CG1 4.16Å; L679-V806 HydrophobicContact CD1-CG2 4.48Å; L679-M829 HydrophobicContact CB-SD 4.4Å; L679-M829 HydrophobicContact CD1-SD 3.85Å
680T88.6Confident86.7Confident0 Ų027.8 Ų27.80%015%0.151CC..  trans-120143.8-171.5-173.30000113.7K399 D682 A687 C794 C795 R796 V797K399-T680 HydrophobicContact CB-CG2 4.43Å; T680-D682 HydrophobicContact CG2-CB 4.12Å; T680-D682 PolarHBondContact O-N 2.98Å; T680-D682 WeakPolarHBondContact OG1-CB 3.38Å; T680-D682 PolarHBondContact OG1-N 3.48Å; T680-D682 VanDerWaalsContact OG1-N 3.15Å; T680-A687 HydrophobicContact CG2-CB 3.77Å; T680-C794 PolarHBondContact N-O 3.46Å; T680-C795 CarbonylContact O-C 3.59Å; T680-R796 PolarHBondContact O-N 3.48Å; T680-V797 WeakPolarHBondContact O-CG2 3.29Å; T680-V797 PolarHBondContact O-N 2.77Å
681G80.9Confident86.6Confident46 Ų4626.5 Ų26.547%0.47414%0.141SC..SBendtrans-71.5-10.2168.900000113.5R796G681-R796 WeakPolarHBondContact O-CA 3.43Å
682D77.3Confident86.2Confident43 Ų4323.3 Ų23.323%0.2313%0.126CC..SBendtrans-72.1165.6-175.8-86.311.4000114.1K399 T680 T686 R796K399-D682 HydrophobicContact CD-CB 4.47Å; K399-D682 VanDerWaalsContact CE-OD2 3.23Å; K399-D682 WeakPolarHBondContact CE-OD2 3.32Å; K399-D682 IonicContact NZ-OD2 3.76Å; K399-D682 PolarHBondContact NZ-OD2 2.85Å; T680-D682 HydrophobicContact CG2-CB 4.12Å; T680-D682 PolarHBondContact O-N 2.98Å; T680-D682 WeakPolarHBondContact OG1-CB 3.38Å; T680-D682 PolarHBondContact OG1-N 3.48Å; T680-D682 VanDerWaalsContact OG1-N 3.15Å; D682-T686 HydrophobicContact CB-CG2 4.47Å; D682-T686 WeakPolarHBondContact OD2-CG2 3.24Å; D682-R796 WeakPolarHBondContact O-CG 3.3Å; D682-R796 PolarHBondContact O-N 3.39Å
683K76.1Confident85.8Confident44 Ų4423.9 Ų23.919%0.19113%0.13CC..  trans-63.6153.8172.3-59.3179.5-175.5171.60110.8N545 E685 T686 A687 F1137N545-K683 WeakPolarHBondContact OD1-CE 3.2Å; N545-K683 PolarHBondContact OD1-NZ 3.46Å; K683-E685 VanDerWaalsContact C-N 3.34Å; K683-E685 PolarHBondContact O-N 2.67Å; K683-T686 PolarHBondContact O-N 2.73Å; K683-A687 PolarHBondContact O-N 3.01Å; K683-A687 VanDerWaalsContact O-N 3.09Å; K683-F1137 PolarHBondContact NZ-O 2.86Å; K683-F1137 VanDerWaalsContact NZ-O 3.07Å
684Q82.3Confident85.6Confident38 Ų3819.7 Ų19.718%0.17811%0.108CC..Hα-helixtrans-58.5-44.6-178.2-175.9-175-33.700112.2T686 A687 E688 I764 N766 C795Q684-T686 VanDerWaalsContact C-N 3.32Å; Q684-T686 PolarHBondContact O-N 2.97Å; Q684-A687 PolarHBondContact O-N 2.95Å; Q684-E688 WeakPolarHBondContact O-CB 3.38Å; Q684-E688 PolarHBondContact O-N 2.97Å; Q684-I764 HydrophobicContact CG-CG2 3.93Å; Q684-N766 PolarHBondContact OE1-ND2 3.04Å; Q684-N766 PolarHBondContact OE1-OD1 3Å; Q684-C795 HydrophobicContact CB-CB 4.28Å
685E78.8Confident85Confident61 Ų6121.7 Ų21.729%0.28512%0.119SC..Hα-helixtrans-61.7-42.2-177.2-55.595.5151.100111.4K548 K683 E688 N689K548-E685 IonicContact NZ-OE1 3.74Å; K548-E685 PolarHBondContact NZ-OE1 2.79Å; K683-E685 VanDerWaalsContact C-N 3.34Å; K683-E685 PolarHBondContact O-N 2.67Å; E685-E688 PolarHBondContact O-N 3.43Å; E685-N689 VanDerWaalsContact O-CG 3.31Å; E685-N689 PolarHBondContact O-N 2.99Å
686T78.9Confident84.7Confident8 Ų820.2 Ų20.25%0.04911%0.112CC..Hα-helixtrans-64.5-44.6176.2-55.20000111.9K399 D682 K683 Q684 E688 N689 I690K399-T686 HydrophobicContact CD-CG2 4.45Å; D682-T686 HydrophobicContact CB-CG2 4.47Å; D682-T686 WeakPolarHBondContact OD2-CG2 3.24Å; K683-T686 PolarHBondContact O-N 2.73Å; Q684-T686 VanDerWaalsContact C-N 3.32Å; Q684-T686 PolarHBondContact O-N 2.97Å; T686-E688 VanDerWaalsContact C-N 3.34Å; T686-N689 PolarHBondContact O-N 3.11Å; T686-I690 WeakPolarHBondContact O-CG1 3.42Å; T686-I690 PolarHBondContact O-N 3.09Å
687A84.9Confident84.3Confident4 Ų420 Ų203%0.03311%0.111CC..Hα-helixtrans-66.4-37.8-179.100000111.9T680 K683 Q684 G691 I793T680-A687 HydrophobicContact CG2-CB 3.77Å; K683-A687 PolarHBondContact O-N 3.01Å; K683-A687 VanDerWaalsContact O-N 3.09Å; Q684-A687 PolarHBondContact O-N 2.95Å; A687-G691 PolarHBondContact O-N 3.26Å; A687-I793 HydrophobicContact CB-CG2 3.73Å
688E84.3Confident83.6Confident36 Ų3622 Ų2217%0.16812%0.119CC..Hα-helixtrans-63.5-48.6173.6-177.2173.9179.200111.4Q684 E685 T686 I690 G691 Y692 L697 I764 R1132Q684-E688 WeakPolarHBondContact O-CB 3.38Å; Q684-E688 PolarHBondContact O-N 2.97Å; E685-E688 PolarHBondContact O-N 3.43Å; T686-E688 VanDerWaalsContact C-N 3.34Å; E688-I690 VanDerWaalsContact C-N 3.33Å; E688-I690 PolarHBondContact O-N 3.1Å; E688-G691 WeakPolarHBondContact O-CA 3.27Å; E688-G691 PolarHBondContact O-N 3.5Å; E688-Y692 HydrophobicContact CG-CD2 3.97Å; E688-Y692 HydrophobicContact CG-CE2 3.56Å; E688-Y692 VanDerWaalsContact O-CD2 3.25Å; E688-Y692 WeakPolarHBondContact O-CD2 3.17Å; E688-Y692 PolarHBondContact O-N 3.36Å; E688-L697 HydrophobicContact CG-CD1 4.07Å; E688-I764 HydrophobicContact CG-CD1 4.43Å; E688-R1132 IonicContact OE1-NH1 3.71Å; E688-R1132 PolarHBondContact OE1-NH1 3.05Å
689N80.8Confident82.5Confident16 Ų1625.3 Ų25.39%0.08613%0.134CC..Hα-helixtrans-57.5-44.9177.2-75-15.3000111.9E685 T686 G691 Y692 S693 G1134E685-N689 VanDerWaalsContact O-CG 3.31Å; E685-N689 PolarHBondContact O-N 2.99Å; T686-N689 PolarHBondContact O-N 3.11Å; N689-G691 VanDerWaalsContact C-N 3.33Å; N689-G691 PolarHBondContact O-N 3.22Å; N689-Y692 PolarHBondContact O-N 3.28Å; N689-S693 PolarHBondContact O-N 3.4Å; N689-S693 PolarHBondContact O-OG 3.23Å; N689-G1134 PolarHBondContact ND2-O 3.37Å
690I84.7Confident81.7Confident7 Ų733.4 Ų33.44%0.03617%0.172CC..Hα-helixtrans-66.4-36174.7-66.6-56.7000111.7K399 L403 T404 D656 L658 T686 E688 Y692 S693 C694K399-I690 HydrophobicContact CD-CB 4.41Å; K399-I690 HydrophobicContact CD-CG1 4.01Å; K399-I690 HydrophobicContact CG-CB 4.19Å; K399-I690 HydrophobicContact CG-CG1 4.23Å; K399-I690 HydrophobicContact CG-CG2 3.84Å; L403-I690 HydrophobicContact CD1-CG2 4.47Å; T404-I690 HydrophobicContact CG2-CD1 3.67Å; T404-I690 HydrophobicContact CG2-CG1 4.13Å; T404-I690 HydrophobicContact CG2-CG2 4.47Å; D656-I690 HydrophobicContact CB-CD1 4.04Å; L658-I690 HydrophobicContact CD2-CD1 4.07Å; L658-I690 HydrophobicContact CD2-CG2 4.25Å; T686-I690 WeakPolarHBondContact O-CG1 3.42Å; T686-I690 PolarHBondContact O-N 3.09Å; E688-I690 VanDerWaalsContact C-N 3.33Å; E688-I690 PolarHBondContact O-N 3.1Å; I690-Y692 VanDerWaalsContact C-N 3.31Å; I690-Y692 PolarHBondContact O-N 3.03Å; I690-S693 PolarHBondContact O-N 2.89Å; I690-C694 VanDerWaalsContact O-CB 3.23Å; I690-C694 WeakPolarHBondContact O-CB 3.22Å; I690-C694 PolarHBondContact O-N 3.45Å; I690-C694 PolarHBondContact O-SG 3.47Å; I690-C694 VanDerWaalsContact O-SG 3.34Å
691G87.2Confident81.4Confident3 Ų334.1 Ų34.13%0.03118%0.175CC..Hα-helixtrans-55.6-43.6173.300000112.7A687 E688 N689 N695 M696 L697A687-G691 PolarHBondContact O-N 3.26Å; E688-G691 WeakPolarHBondContact O-CA 3.27Å; E688-G691 PolarHBondContact O-N 3.5Å; N689-G691 VanDerWaalsContact C-N 3.33Å; N689-G691 PolarHBondContact O-N 3.22Å; G691-N695 PolarHBondContact O-N 2.97Å; G691-M696 WeakPolarHBondContact O-CB 3.4Å; G691-M696 PolarHBondContact O-N 3.4Å; G691-L697 PolarHBondContact O-N 3.49Å
692Y82.7Confident81.6Confident33 Ų3337.8 Ų37.813%0.12918%0.178CC..Hα-helixtrans-71.4-43.6173.6-73.7-71000112.6E688 N689 I690 C694 N695 L697 R1132E688-Y692 HydrophobicContact CG-CD2 3.97Å; E688-Y692 HydrophobicContact CG-CE2 3.56Å; E688-Y692 VanDerWaalsContact O-CD2 3.25Å; E688-Y692 WeakPolarHBondContact O-CD2 3.17Å; E688-Y692 PolarHBondContact O-N 3.36Å; N689-Y692 PolarHBondContact O-N 3.28Å; I690-Y692 VanDerWaalsContact C-N 3.31Å; I690-Y692 PolarHBondContact O-N 3.03Å; Y692-C694 VanDerWaalsContact C-N 3.25Å; Y692-C694 PolarHBondContact O-N 2.95Å; Y692-N695 PolarHBondContact O-N 3.35Å; Y692-L697 HydrophobicContact CD1-CB 3.74Å; Y692-L697 VanDerWaalsContact CD1-O 3.28Å; Y692-L697 WeakPolarHBondContact CD1-O 3.44Å; Y692-L697 HydrophobicContact CD2-CB 4.32Å; Y692-L697 HydrophobicContact CD2-CD1 4.14Å; Y692-L697 HydrophobicContact CE1-CB 3.56Å; Y692-L697 HydrophobicContact CE2-CB 4.16Å; Y692-L697 HydrophobicContact CE2-CD1 3.8Å; Y692-L697 HydrophobicContact CG-CB 4.09Å; Y692-R1132 PolarHBondContact OH-NH1 3.48Å; Y692-R1132 PolarHBondContact OH-NH2 2.87Å
693S82Confident82Confident12 Ų1238.2 Ų38.28%0.08418%0.179CC..Hα-helixtrans-58.9-37.8177.9-68.50000112.8G598 L658 N689 I690 N695 R1127G598-S693 WeakPolarHBondContact CA-OG 3.32Å; L658-S693 WeakPolarHBondContact CD1-O 3.45Å; N689-S693 PolarHBondContact O-N 3.4Å; N689-S693 PolarHBondContact O-OG 3.23Å; I690-S693 PolarHBondContact O-N 2.89Å; S693-N695 VanDerWaalsContact C-N 3.27Å; S693-N695 PolarHBondContact O-N 3.37Å; S693-R1127 PolarHBondContact O-NH2 2.97Å
694C84.9Confident82.6Confident0 Ų037.8 Ų37.80%018%0.18CC..THydrogen-bonded Turntrans-79.1-3.3177-72.90000114.1I666 I690 Y692 M696I666-C694 HydrophobicContact CD1-CB 3.69Å; I690-C694 VanDerWaalsContact O-CB 3.23Å; I690-C694 WeakPolarHBondContact O-CB 3.22Å; I690-C694 PolarHBondContact O-N 3.45Å; I690-C694 PolarHBondContact O-SG 3.47Å; I690-C694 VanDerWaalsContact O-SG 3.34Å; Y692-C694 VanDerWaalsContact C-N 3.25Å; Y692-C694 PolarHBondContact O-N 2.95Å; C694-M696 HydrophobicContact CB-CG 3.9Å; C694-M696 HydrophobicContact CB-SD 4.28Å; C694-M696 PolarHBondContact O-N 3.01Å
695N80.6Confident83.1Confident48 Ų4836.5 Ų36.526%0.25717%0.173SC..THydrogen-bonded Turntrans58.525.9-172.9-156.728.9000113.7G691 Y692 S693 R698G691-N695 PolarHBondContact O-N 2.97Å; Y692-N695 PolarHBondContact O-N 3.35Å; S693-N695 VanDerWaalsContact C-N 3.27Å; S693-N695 PolarHBondContact O-N 3.37Å; N695-R698 WeakPolarHBondContact OD1-CG 3.45Å
696M85.3Confident83.8Confident3 Ų337.5 Ų37.52%0.01518%0.18CC..SBendtrans-80.1-41.9173-68.5-175.96200110.6I666 I676 V678 G691 C694 M701 T791I666-M696 HydrophobicContact CD1-CG 3.84Å; I666-M696 HydrophobicContact CD1-SD 3.86Å; I666-M696 HydrophobicContact CG2-CG 3.61Å; I676-M696 HydrophobicContact CB-CE 4.02Å; I676-M696 HydrophobicContact CG2-CE 3.83Å; I676-M696 HydrophobicContact CG2-SD 4.49Å; V678-M696 HydrophobicContact CG2-CE 3.49Å; V678-M696 VanDerWaalsContact CG2-CE 3.49Å; V678-M696 HydrophobicContact CG2-SD 3.67Å; G691-M696 WeakPolarHBondContact O-CB 3.4Å; G691-M696 PolarHBondContact O-N 3.4Å; C694-M696 HydrophobicContact CB-CG 3.9Å; C694-M696 HydrophobicContact CB-SD 4.28Å; C694-M696 PolarHBondContact O-N 3.01Å; M696-M701 WeakPolarHBondContact O-CE 3.43Å; M696-T791 HydrophobicContact CB-CG2 4.09Å; M696-T791 HydrophobicContact CE-CG2 3.55Å; M696-T791 PolarHBondContact O-OG1 3.49Å
697L85.6Confident84.4Confident2 Ų237.2 Ų37.21%0.0118%0.178CC..SBendtrans-94.2125.5167.8-58.9179000108E688 G691 Y692 M701 A762 I764 T791 I793E688-L697 HydrophobicContact CG-CD1 4.07Å; G691-L697 PolarHBondContact O-N 3.49Å; Y692-L697 HydrophobicContact CD1-CB 3.74Å; Y692-L697 VanDerWaalsContact CD1-O 3.28Å; Y692-L697 WeakPolarHBondContact CD1-O 3.44Å; Y692-L697 HydrophobicContact CD2-CB 4.32Å; Y692-L697 HydrophobicContact CD2-CD1 4.14Å; Y692-L697 HydrophobicContact CE1-CB 3.56Å; Y692-L697 HydrophobicContact CE2-CB 4.16Å; Y692-L697 HydrophobicContact CE2-CD1 3.8Å; Y692-L697 HydrophobicContact CG-CB 4.09Å; L697-M701 HydrophobicContact CD2-SD 4.5Å; L697-A762 HydrophobicContact CD2-CB 3.42Å; L697-A762 VanDerWaalsContact CD2-CB 3.42Å; L697-I764 HydrophobicContact CD1-CD1 4.42Å; L697-T791 HydrophobicContact CD2-CG2 4.29Å; L697-I793 HydrophobicContact CD1-CD1 3.92Å; L697-I793 HydrophobicContact CD2-CD1 4.28Å; L697-I793 HydrophobicContact CG-CD1 4.11Å
698R81Confident84.7Confident51 Ų5139 Ų3919%0.19219%0.192CC..  trans-116.8144.7177.2-60.2-171-71.5-89.2-0.9109.6N695 E700 M701 D760N695-R698 WeakPolarHBondContact OD1-CG 3.45Å; R698-E700 PolarHBondContact O-N 3.15Å; R698-M701 HydrophobicContact CB-CG 4.12Å; R698-M701 WeakPolarHBondContact O-CB 3.36Å; R698-M701 WeakPolarHBondContact O-CG 3.38Å; R698-M701 PolarHBondContact O-N 2.68Å; R698-M701 VanDerWaalsContact O-N 3.12Å; R698-D760 IonicContact CZ-OD2 2.72Å; R698-D760 IonicContact NH2-OD2 3.55Å; R698-D760 PolarHBondContact NH2-OD2 2.99Å
699E72.8Confident85Confident76 Ų7638 Ų3836%0.35519%0.19SC..THydrogen-bonded Turntrans-63.3-24.5171.8-63.6-156.5146.700112.4M701 V1128 T1130E699-M701 PolarHBondContact O-N 2.97Å; E699-V1128 VanDerWaalsContact OE2-C 3.24Å; E699-T1130 PolarHBondContact OE1-N 3.09Å; E699-T1130 PolarHBondContact OE1-OG1 3.49Å
700E76.5Confident85.4Confident171 Ų17143.1 Ų43.180%0.79922%0.218SC*.THydrogen-bonded Turntrans-73.1-11.1176.4-61.5171.4-179.200113.6R698R698-E700 PolarHBondContact O-N 3.15Å
701M82.5Confident85.7Confident15 Ų1546.6 Ų46.67%0.07424%0.239CC..SBendtrans-62.8143176-70.6-175.9168.600110.2M696 L697 R698 E699 E703 D760 A762M696-M701 WeakPolarHBondContact O-CE 3.43Å; L697-M701 HydrophobicContact CD2-SD 4.5Å; R698-M701 HydrophobicContact CB-CG 4.12Å; R698-M701 WeakPolarHBondContact O-CB 3.36Å; R698-M701 WeakPolarHBondContact O-CG 3.38Å; R698-M701 PolarHBondContact O-N 2.68Å; R698-M701 VanDerWaalsContact O-N 3.12Å; E699-M701 PolarHBondContact O-N 2.97Å; M701-E703 VanDerWaalsContact C-N 3.28Å; M701-E703 PolarHBondContact O-N 3.33Å; M701-D760 WeakPolarHBondContact CA-O 3.41Å; M701-D760 WeakPolarHBondContact CB-O 3.21Å; M701-D760 HydrophobicContact CG-CB 4.03Å; M701-A762 HydrophobicContact SD-CB 3.92Å
702K83.6Confident85.8Confident123 Ų12348.9 Ų48.954%0.53525%0.254SS..SBendtrans-61.4-41.9179.8-76.5-173.6174.4-177.10111E758 D760 Y761K702-E758 WeakPolarHBondContact CE-O 3.43Å; K702-E758 PolarHBondContact NZ-O 2.91Å; K702-D760 PolarHBondContact N-O 3.3Å; K702-Y761 HydrophobicContact CB-CD1 4.04Å; K702-Y761 HydrophobicContact CB-CE1 3.59Å; K702-Y761 HydrophobicContact CD-CE1 4.08Å; K702-Y761 HydrophobicContact CD-CE2 4.42Å; K702-Y761 VanDerWaalsContact CD-OH 3.31Å; K702-Y761 WeakPolarHBondContact CD-OH 3.37Å; K702-Y761 HydrophobicContact CG-CE1 4.46Å
703E86.9Confident86.1Confident52 Ų5252.7 Ų52.724%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-163.2152.6178.9-161.3159.7-170.900113.4M701 F705 K725 Y761 A762M701-E703 VanDerWaalsContact C-N 3.28Å; M701-E703 PolarHBondContact O-N 3.33Å; E703-F705 HydrophobicContact CB-CE2 4.27Å; E703-F705 HydrophobicContact CB-CZ 4.09Å; E703-F705 HydrophobicContact CG-CD1 4.44Å; E703-F705 HydrophobicContact CG-CE1 4.07Å; E703-F705 HydrophobicContact CG-CZ 4.13Å; E703-K725 IonicContact OE1-NZ 2.81Å; E703-K725 PolarHBondContact OE1-NZ 3.02Å; E703-K725 WeakPolarHBondContact OE2-CD 3.35Å; E703-K725 WeakPolarHBondContact OE2-CE 3.46Å; E703-K725 IonicContact OE2-NZ 3.54Å; E703-K725 PolarHBondContact OE2-NZ 3.38Å; E703-Y761 HydrophobicContact CB-CD1 4.22Å; E703-A762 PolarHBondContact O-N 3.49Å; E703-A762 VanDerWaalsContact O-N 3.16Å
704V89.2Confident86.6Confident35 Ų3552.8 Ų52.821%0.21228%0.279CS..EExtended strand (participates in β ladder)trans-114.8112.3169.9-176.40000108.2A762 I764V704-A762 HydrophobicContact CG1-CB 4.23Å; V704-A762 HydrophobicContact CG2-CB 4.25Å; V704-I764 HydrophobicContact CG1-CD1 3.72Å; V704-I764 HydrophobicContact CG1-CG1 3.96Å
705F92.6Very high86.9Confident11 Ų1152.8 Ų52.85%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-86.2134.3179-62.1-74.2000110.7E703 Y721 A722 K725 M726 Y761 A762 L763 I764E703-F705 HydrophobicContact CB-CE2 4.27Å; E703-F705 HydrophobicContact CB-CZ 4.09Å; E703-F705 HydrophobicContact CG-CD1 4.44Å; E703-F705 HydrophobicContact CG-CE1 4.07Å; E703-F705 HydrophobicContact CG-CZ 4.13Å; F705-Y721 HydrophobicContact CE1-CE1 4.39Å; F705-A722 HydrophobicContact CB-CB 4.03Å; F705-A722 HydrophobicContact CD1-CB 3.56Å; F705-A722 HydrophobicContact CD2-CB 3.99Å; F705-A722 HydrophobicContact CE1-CB 3.98Å; F705-A722 HydrophobicContact CE2-CB 4.36Å; F705-A722 HydrophobicContact CG-CB 3.57Å; F705-A722 HydrophobicContact CZ-CB 4.37Å; F705-K725 HydrophobicContact CE1-CB 4.27Å; F705-K725 HydrophobicContact CE1-CD 4Å; F705-K725 HydrophobicContact CZ-CB 4.13Å; F705-K725 HydrophobicContact CZ-CD 4.24Å; F705-K725 HydrophobicContact CZ-CG 4.36Å; F705-M726 HydrophobicContact CD2-CE 4.31Å; F705-M726 HydrophobicContact CD2-SD 4.36Å; F705-M726 HydrophobicContact CE2-CE 4.12Å; F705-M726 HydrophobicContact CE2-CG 3.55Å; F705-M726 HydrophobicContact CE2-SD 3.85Å; F705-M726 HydrophobicContact CZ-CG 3.99Å; F705-Y761 AromaticContact CE2-CD1 3.78Å; F705-Y761 HydrophobicContact CE2-CD1 3.78Å; F705-Y761 HydrophobicContact CE2-CG 4.36Å; F705-Y761 HydrophobicContact CZ-CD1 4.35Å; F705-A762 PolarHBondContact N-O 3.49Å; F705-L763 HydrophobicContact CB-CD1 3.86Å; F705-L763 CarbonylContact O-C 3.56Å; F705-L763 WeakPolarHBondContact O-CA 3.41Å; F705-I764 PolarHBondContact O-N 2.99Å
706I92.4Very high87.4Confident82 Ų8254.8 Ų54.842%0.42129%0.286SS..EExtended strand (participates in β ladder)trans-115.7123.7177-58173.8000108.4A708 I764I706-A708 HydrophobicContact CG2-CB 4.29Å; I706-I764 CarbonylContact C-O 3.56Å; I706-I764 WeakPolarHBondContact CA-O 3.43Å; I706-I764 HydrophobicContact CG1-CB 4.37Å
707V92.8Very high87.7Confident1 Ų161 Ų611%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-109.3108.4176.1179.80000108.5V715 E718 L719 L763 I764 I765 N766V707-V715 HydrophobicContact CG1-CG1 4.14Å; V707-E718 VanDerWaalsContact CA-OE2 3.23Å; V707-E718 WeakPolarHBondContact CA-OE2 3.42Å; V707-E718 HydrophobicContact CG1-CB 4.35Å; V707-E718 WeakPolarHBondContact CG1-OE2 3.2Å; V707-E718 HydrophobicContact CG2-CB 4.27Å; V707-L719 HydrophobicContact CG2-CD2 4.02Å; V707-L763 HydrophobicContact CG2-CD1 3.74Å; V707-I764 PolarHBondContact N-O 3.46Å; V707-I765 HydrophobicContact CB-CB 4.23Å; V707-I765 HydrophobicContact CB-CD1 4.27Å; V707-I765 HydrophobicContact CB-CG1 3.96Å; V707-I765 HydrophobicContact CG1-CD1 3.99Å; V707-I765 HydrophobicContact CG1-CG1 4.01Å; V707-N766 PolarHBondContact O-N 3.17Å; V707-N766 VanDerWaalsContact O-N 3.17Å
708A90.4Very high88.1Confident41 Ų4164 Ų6434%0.33933%0.329SS..  trans-136.69.9-171.900000113.5I706 E718I706-A708 HydrophobicContact CG2-CB 4.29Å; A708-E718 PolarHBondContact N-OE2 3.46Å
709A90.7Very high88.5Confident15 Ų1561.6 Ų61.612%0.12432%0.32CS..  trans-62.7143.9175.200000113.1V715 E718 S769A709-V715 HydrophobicContact CB-CG2 3.84Å; A709-V715 WeakPolarHBondContact O-CG2 3.49Å; A709-E718 PolarHBondContact N-OE2 2.93Å; A709-E718 VanDerWaalsContact N-OE2 3.09Å; A709-S769 WeakPolarHBondContact O-CB 3.45Å; A709-S769 PolarHBondContact O-OG 2.94Å
710N88.8Confident89.3Confident125 Ų12560.1 Ų60.167%0.66831%0.313SS*.SBendtrans-98.72.1180-66.9-30.5000113.7F772N710-F772 WeakPolarHBondContact O-CE2 3.11Å
711T90.8Very high90Very high79 Ų7958.3 Ų58.349%0.48530%0.299SS..SBendtrans-123.8147.6178.759.90000110.1D713 G714 V715T711-D713 VanDerWaalsContact C-N 3.3Å; T711-D713 PolarHBondContact O-N 3.2Å; T711-G714 PolarHBondContact O-N 3.36Å; T711-G714 VanDerWaalsContact O-N 3.16Å; T711-G714 PolarHBondContact OG1-N 2.87Å; T711-V715 WeakPolarHBondContact O-CG2 3.4Å; T711-V715 PolarHBondContact O-N 3.31Å
712P89.3Confident90.3Very high52 Ų5257.6 Ų57.634%0.33830%0.296SS..Hα-helixtrans-59.3-39.9-17922.3-32.9000112.5V715 K716 F772 L778P712-V715 PolarHBondContact O-N 3.49Å; P712-K716 PolarHBondContact O-N 3.25Å; P712-F772 HydrophobicContact CB-CB 4.44Å; P712-F772 HydrophobicContact CB-CD1 4.24Å; P712-F772 HydrophobicContact CB-CG 4.44Å; P712-L778 HydrophobicContact CB-CD1 4.44Å
713D89.9Confident90.6Very high113 Ų11352 Ų5260%0.60427%0.272SS*.Hα-helixtrans-66.5-38.7177-66.1-43.3000112.6T711 K716 Q717T711-D713 VanDerWaalsContact C-N 3.3Å; T711-D713 PolarHBondContact O-N 3.2Å; D713-K716 PolarHBondContact O-N 3.5Å; D713-Q717 WeakPolarHBondContact O-CG 3.5Å; D713-Q717 PolarHBondContact O-N 3.47Å
714G91.3Very high90.6Very high14 Ų1455.5 Ų55.514%0.14428%0.283CS..Hα-helixtrans-64.3-44.2175.600000111.6T711 K716 Q717 E718T711-G714 PolarHBondContact O-N 3.36Å; T711-G714 VanDerWaalsContact O-N 3.16Å; T711-G714 PolarHBondContact OG1-N 2.87Å; G714-K716 VanDerWaalsContact C-N 3.32Å; G714-K716 PolarHBondContact O-N 2.91Å; G714-Q717 PolarHBondContact O-N 3.49Å; G714-E718 WeakPolarHBondContact O-CG 3.37Å; G714-E718 PolarHBondContact O-N 2.61Å
715V91.3Very high90.5Very high0 Ų058.2 Ų58.20%029%0.292CS..Hα-helixtrans-60.9-42.9176.61740000110.8V707 A709 T711 P712 Q717 E718 L719 F772 A773V707-V715 HydrophobicContact CG1-CG1 4.14Å; A709-V715 HydrophobicContact CB-CG2 3.84Å; A709-V715 WeakPolarHBondContact O-CG2 3.49Å; T711-V715 WeakPolarHBondContact O-CG2 3.4Å; T711-V715 PolarHBondContact O-N 3.31Å; P712-V715 PolarHBondContact O-N 3.49Å; V715-Q717 PolarHBondContact O-N 2.98Å; V715-E718 PolarHBondContact O-N 2.69Å; V715-L719 HydrophobicContact CG1-CD1 3.97Å; V715-L719 HydrophobicContact CG1-CG 4.47Å; V715-L719 WeakPolarHBondContact O-CB 3.4Å; V715-L719 WeakPolarHBondContact O-CG 3.26Å; V715-L719 PolarHBondContact O-N 2.65Å; V715-F772 HydrophobicContact CG2-CB 4.43Å; V715-F772 HydrophobicContact CG2-CD2 4.48Å; V715-A773 HydrophobicContact CG1-CB 3.97Å
716K91.3Very high90.3Very high90 Ų9058.1 Ų58.139%0.39129%0.291SS..Hα-helixtrans-59.4-45.6175.9-172.1178.9-177.11740112P712 D713 G714 L719 Q720 L778P712-K716 PolarHBondContact O-N 3.25Å; D713-K716 PolarHBondContact O-N 3.5Å; G714-K716 VanDerWaalsContact C-N 3.32Å; G714-K716 PolarHBondContact O-N 2.91Å; K716-L719 PolarHBondContact O-N 3.31Å; K716-Q720 WeakPolarHBondContact O-CB 3.39Å; K716-Q720 VanDerWaalsContact O-CG 3.26Å; K716-Q720 WeakPolarHBondContact O-CG 3.35Å; K716-Q720 PolarHBondContact O-N 3.17Å; K716-L778 HydrophobicContact CB-CD2 3.68Å; K716-L778 HydrophobicContact CD-CD2 3.84Å; K716-L778 HydrophobicContact CG-CD2 3.64Å
717Q91.8Very high89.8Confident134 Ų13455.3 Ų55.363%0.62628%0.279SS*.Hα-helixtrans-64.4-43.9179.8-72.617511.800112.1D713 G714 V715 Q720 Y721D713-Q717 WeakPolarHBondContact O-CG 3.5Å; D713-Q717 PolarHBondContact O-N 3.47Å; G714-Q717 PolarHBondContact O-N 3.49Å; V715-Q717 PolarHBondContact O-N 2.98Å; Q717-Q720 PolarHBondContact O-N 3.24Å; Q717-Y721 VanDerWaalsContact O-CB 3.29Å; Q717-Y721 WeakPolarHBondContact O-CB 3.4Å; Q717-Y721 PolarHBondContact O-N 2.97Å
718E93.6Very high89.1Confident65 Ų6560.4 Ų60.430%0.30431%0.312SS..Hα-helixtrans-62.8-43177.6-72178.2171.100111.9V707 A708 A709 G714 V715 Y721 A722V707-E718 VanDerWaalsContact CA-OE2 3.23Å; V707-E718 WeakPolarHBondContact CA-OE2 3.42Å; V707-E718 HydrophobicContact CG1-CB 4.35Å; V707-E718 WeakPolarHBondContact CG1-OE2 3.2Å; V707-E718 HydrophobicContact CG2-CB 4.27Å; A708-E718 PolarHBondContact N-OE2 3.46Å; A709-E718 PolarHBondContact N-OE2 2.93Å; A709-E718 VanDerWaalsContact N-OE2 3.09Å; G714-E718 WeakPolarHBondContact O-CG 3.37Å; G714-E718 PolarHBondContact O-N 2.61Å; V715-E718 PolarHBondContact O-N 2.69Å; E718-Y721 PolarHBondContact O-N 3.24Å; E718-A722 PolarHBondContact O-N 3.39Å
719L90.8Very high88.4Confident0 Ų067.5 Ų67.50%034%0.338CS..Hα-helixtrans-64.2-46.3176-71.6172.3000112V707 V715 K716 Y721 A722 R723 A773 E781 L782 T785V707-L719 HydrophobicContact CG2-CD2 4.02Å; V715-L719 HydrophobicContact CG1-CD1 3.97Å; V715-L719 HydrophobicContact CG1-CG 4.47Å; V715-L719 WeakPolarHBondContact O-CB 3.4Å; V715-L719 WeakPolarHBondContact O-CG 3.26Å; V715-L719 PolarHBondContact O-N 2.65Å; K716-L719 PolarHBondContact O-N 3.31Å; L719-Y721 VanDerWaalsContact C-N 3.31Å; L719-Y721 PolarHBondContact O-N 3.36Å; L719-A722 PolarHBondContact O-N 2.93Å; L719-R723 WeakPolarHBondContact O-CB 3.19Å; L719-R723 PolarHBondContact O-N 3.49Å; L719-A773 HydrophobicContact CD1-CB 4.38Å; L719-E781 HydrophobicContact CB-CG 4.24Å; L719-L782 HydrophobicContact CD1-CB 4.27Å; L719-L782 HydrophobicContact CD1-CD1 4.49Å; L719-L782 HydrophobicContact CD2-CD1 4.06Å; L719-T785 HydrophobicContact CD2-CG2 4.2Å
720Q89.9Confident87.4Confident44 Ų4467.7 Ų67.721%0.20634%0.338CS..Hα-helixtrans-64.7-36177.9-74.1-179.9-13.600112.3K716 Q717 R723 R724 E781K716-Q720 WeakPolarHBondContact O-CB 3.39Å; K716-Q720 VanDerWaalsContact O-CG 3.26Å; K716-Q720 WeakPolarHBondContact O-CG 3.35Å; K716-Q720 PolarHBondContact O-N 3.17Å; Q717-Q720 PolarHBondContact O-N 3.24Å; Q720-R723 PolarHBondContact O-N 3.19Å; Q720-R724 WeakPolarHBondContact O-CB 3.38Å; Q720-R724 VanDerWaalsContact O-CG 3.32Å; Q720-R724 WeakPolarHBondContact O-CG 3.49Å; Q720-R724 PolarHBondContact O-N 2.82Å; Q720-E781 HydrophobicContact CG-CG 4.31Å
721Y90.7Very high86.4Confident133 Ų13364.5 Ų64.552%0.52233%0.33SS..Hα-helixtrans-61.3-50.7173.7173.4-98.1000111F705 Q717 E718 L719 R723 R724 K725F705-Y721 HydrophobicContact CE1-CE1 4.39Å; Q717-Y721 VanDerWaalsContact O-CB 3.29Å; Q717-Y721 WeakPolarHBondContact O-CB 3.4Å; Q717-Y721 PolarHBondContact O-N 2.97Å; E718-Y721 PolarHBondContact O-N 3.24Å; L719-Y721 VanDerWaalsContact C-N 3.31Å; L719-Y721 PolarHBondContact O-N 3.36Å; Y721-R723 VanDerWaalsContact C-N 3.32Å; Y721-R723 PolarHBondContact O-N 3.07Å; Y721-R724 PolarHBondContact O-N 2.98Å; Y721-K725 HydrophobicContact CE1-CD 4.29Å; Y721-K725 WeakPolarHBondContact O-CB 3.24Å; Y721-K725 PolarHBondContact O-N 3.04Å; Y721-K725 VanDerWaalsContact O-N 3.08Å; Y721-K725 PolarHBondContact OH-NZ 3.46Å
722A89.4Confident85.3Confident1 Ų167 Ų671%0.00834%0.336CS..Hα-helixtrans-58.3-45.1177.200000111.4F705 E718 L719 K725 M726 T785F705-A722 HydrophobicContact CB-CB 4.03Å; F705-A722 HydrophobicContact CD1-CB 3.56Å; F705-A722 HydrophobicContact CD2-CB 3.99Å; F705-A722 HydrophobicContact CE1-CB 3.98Å; F705-A722 HydrophobicContact CE2-CB 4.36Å; F705-A722 HydrophobicContact CG-CB 3.57Å; F705-A722 HydrophobicContact CZ-CB 4.37Å; E718-A722 PolarHBondContact O-N 3.39Å; L719-A722 PolarHBondContact O-N 2.93Å; A722-K725 PolarHBondContact O-N 3.28Å; A722-M726 HydrophobicContact CB-CE 4.17Å; A722-M726 WeakPolarHBondContact O-CE 3.36Å; A722-M726 WeakPolarHBondContact O-CG 3.33Å; A722-M726 PolarHBondContact O-N 3.4Å; A722-T785 HydrophobicContact CB-CG2 3.85Å
723R88.3Confident84.1Confident4 Ų472.1 Ų72.12%0.01536%0.355CS..Hα-helixtrans-59.4-52.9177.3-170.6-16073.9-163.76.8112.6L719 Q720 Y721 K725 M726 C727 S730 E732 E781 M788L719-R723 WeakPolarHBondContact O-CB 3.19Å; L719-R723 PolarHBondContact O-N 3.49Å; Q720-R723 PolarHBondContact O-N 3.19Å; Y721-R723 VanDerWaalsContact C-N 3.32Å; Y721-R723 PolarHBondContact O-N 3.07Å; R723-K725 PolarHBondContact O-N 3.46Å; R723-M726 PolarHBondContact O-N 2.9Å; R723-C727 PolarHBondContact O-N 2.98Å; R723-S730 PolarHBondContact NE-OG 3.38Å; R723-E732 PolarHBondContact NH1-O 3.4Å; R723-E781 WeakPolarHBondContact CD-OE1 3.35Å; R723-E781 IonicContact CZ-OE1 3.51Å; R723-E781 IonicContact NE-OE1 2.67Å; R723-E781 IonicContact NH1-OE1 2.71Å; R723-E781 PolarHBondContact NH1-OE1 3.01Å; R723-E781 IonicContact NH1-OE2 3.65Å; R723-M788 HydrophobicContact CB-CE 4.11Å; R723-M788 HydrophobicContact CG-CE 3.55Å
724R87.6Confident82.9Confident126 Ų12668.8 Ų68.848%0.47534%0.34SS..Hα-helixtrans-60.1-32.2-179.1-76.9175.7175.5163.3-1.6112.1Q720 Y721 P728 E732Q720-R724 WeakPolarHBondContact O-CB 3.38Å; Q720-R724 VanDerWaalsContact O-CG 3.32Å; Q720-R724 WeakPolarHBondContact O-CG 3.49Å; Q720-R724 PolarHBondContact O-N 2.82Å; Y721-R724 PolarHBondContact O-N 2.98Å; R724-P728 VanDerWaalsContact O-CA 3.28Å; R724-P728 WeakPolarHBondContact O-CA 3.48Å; R724-E732 IonicContact CZ-OE1 3.45Å; R724-E732 IonicContact NH2-OE1 3.47Å; R724-E732 PolarHBondContact NH2-OE1 3.08Å
725K87.6Confident81.6Confident92 Ų9271.3 Ų71.340%0.436%0.356SS..Hα-helixtrans-76.5-38178.1-163166.6-176.1-171.80112.8E703 F705 Y721 A722 R723E703-K725 IonicContact OE1-NZ 2.81Å; E703-K725 PolarHBondContact OE1-NZ 3.02Å; E703-K725 WeakPolarHBondContact OE2-CD 3.35Å; E703-K725 WeakPolarHBondContact OE2-CE 3.46Å; E703-K725 IonicContact OE2-NZ 3.54Å; E703-K725 PolarHBondContact OE2-NZ 3.38Å; F705-K725 HydrophobicContact CE1-CB 4.27Å; F705-K725 HydrophobicContact CE1-CD 4Å; F705-K725 HydrophobicContact CZ-CB 4.13Å; F705-K725 HydrophobicContact CZ-CD 4.24Å; F705-K725 HydrophobicContact CZ-CG 4.36Å; Y721-K725 HydrophobicContact CE1-CD 4.29Å; Y721-K725 WeakPolarHBondContact O-CB 3.24Å; Y721-K725 PolarHBondContact O-N 3.04Å; Y721-K725 VanDerWaalsContact O-N 3.08Å; Y721-K725 PolarHBondContact OH-NZ 3.46Å; A722-K725 PolarHBondContact O-N 3.28Å; R723-K725 PolarHBondContact O-N 3.46Å
726M86.8Confident80.5Confident9 Ų973.2 Ų73.24%0.04437%0.367CS..Hα-helixtrans-71.5-45.6176.1-73.7-172.8-80.200112.6F705 A722 R723 V757 Y761 T785 M788F705-M726 HydrophobicContact CD2-CE 4.31Å; F705-M726 HydrophobicContact CD2-SD 4.36Å; F705-M726 HydrophobicContact CE2-CE 4.12Å; F705-M726 HydrophobicContact CE2-CG 3.55Å; F705-M726 HydrophobicContact CE2-SD 3.85Å; F705-M726 HydrophobicContact CZ-CG 3.99Å; A722-M726 HydrophobicContact CB-CE 4.17Å; A722-M726 WeakPolarHBondContact O-CE 3.36Å; A722-M726 WeakPolarHBondContact O-CG 3.33Å; A722-M726 PolarHBondContact O-N 3.4Å; R723-M726 PolarHBondContact O-N 2.9Å; M726-V757 HydrophobicContact CB-CG1 3.96Å; M726-Y761 HydrophobicContact CB-CE2 4.35Å; M726-Y761 HydrophobicContact CG-CD1 3.76Å; M726-Y761 HydrophobicContact CG-CD2 3.86Å; M726-Y761 HydrophobicContact CG-CE1 3.93Å; M726-Y761 HydrophobicContact CG-CE2 4.04Å; M726-Y761 HydrophobicContact CG-CG 3.72Å; M726-Y761 HydrophobicContact SD-CD1 4.33Å; M726-Y761 HydrophobicContact SD-CD2 3.99Å; M726-Y761 HydrophobicContact SD-CG 3.78Å; M726-T785 HydrophobicContact CE-CG2 3.63Å; M726-M788 HydrophobicContact CB-CE 4.49Å; M726-M788 HydrophobicContact CB-SD 4.33Å; M726-M788 HydrophobicContact CE-CB 4.3Å; M726-M788 HydrophobicContact CE-CE 3.81Å; M726-M788 HydrophobicContact SD-CB 3.91Å
727C83Confident79.4Confident23 Ų2372 Ų7216%0.15537%0.367CS..  trans-13888.8-178-1700000110.2R723 E729 S730 V757 M788R723-C727 PolarHBondContact O-N 2.98Å; C727-E729 PolarHBondContact O-N 2.93Å; C727-S730 WeakPolarHBondContact O-CB 3.36Å; C727-S730 PolarHBondContact O-N 2.93Å; C727-S730 PolarHBondContact O-OG 3.38Å; C727-V757 HydrophobicContact CB-CG1 4.04Å; C727-M788 HydrophobicContact CB-SD 4.03Å
728P78.5Confident78.4Confident108 Ų10873.2 Ų73.270%0.70137%0.37SS*.THydrogen-bonded Turntrans-66.9-23.4-178.424.2-31.8000113.1R724 S730R724-P728 VanDerWaalsContact O-CA 3.28Å; R724-P728 WeakPolarHBondContact O-CA 3.48Å; P728-S730 VanDerWaalsContact C-N 3.31Å
729E74.2Confident76.8Confident190 Ų19072.1 Ų72.189%0.88837%0.372SS*.THydrogen-bonded Turntrans-83.1-3.6177.3-60-173.2171.900113.4C727C727-E729 PolarHBondContact O-N 2.93Å
730S70.5Confident75.1Confident19 Ų1979.6 Ų79.613%0.13340%0.4CS..SBendtrans-67.5138.4-179.563.70000112.5R723 C727 P728 E755R723-S730 PolarHBondContact NE-OG 3.38Å; C727-S730 WeakPolarHBondContact O-CB 3.36Å; C727-S730 PolarHBondContact O-N 2.93Å; C727-S730 PolarHBondContact O-OG 3.38Å; P728-S730 VanDerWaalsContact C-N 3.31Å; S730-E755 WeakPolarHBondContact CB-OE2 3.41Å
731A68.3Low73.2Confident59 Ų5979.3 Ų79.349%0.48841%0.406SS..  trans-61.7141.4177.800000112.1E733 R784A731-E733 VanDerWaalsContact C-N 3.28Å; A731-E733 PolarHBondContact O-N 3.27Å; A731-R784 PolarHBondContact O-NH1 2.65Å; A731-R784 PolarHBondContact O-NH2 3.21Å
732E67.3Low71.2Confident132 Ų13274.9 Ų74.962%0.61740%0.401SS*.SBendtrans-61.2-35.3-176.8-70-154.3130.100113.5R723 R724R723-E732 PolarHBondContact NH1-O 3.4Å; R724-E732 IonicContact CZ-OE1 3.45Å; R724-E732 IonicContact NH2-OE1 3.47Å; R724-E732 PolarHBondContact NH2-OE1 3.08Å
733E64.4Low68.7Low158 Ų15880 Ų8074%0.73843%0.427SS*.SBendtrans-101.3149.3176.5-69.9-168.3169.200112.6A731 S735 R784A731-E733 VanDerWaalsContact C-N 3.28Å; A731-E733 PolarHBondContact O-N 3.27Å; E733-S735 PolarHBondContact O-N 2.77Å; E733-R784 PolarHBondContact O-NH1 2.84Å; E733-R784 VanDerWaalsContact O-NH1 3.13Å
734P64.3Low66.5Low44 Ų4487.9 Ų87.929%0.28646%0.462SS..  trans-65.1117.2177.826.5-34.2000111.4V736 L780 R784P734-V736 VanDerWaalsContact C-N 3.34Å; P734-V736 HydrophobicContact CB-CG2 4.34Å; P734-V736 PolarHBondContact O-N 3.09Å; P734-L780 HydrophobicContact CB-CB 4.23Å; P734-L780 HydrophobicContact CB-CD1 4.39Å; P734-L780 HydrophobicContact CG-CB 4.27Å; P734-L780 HydrophobicContact CG-CD1 4.08Å; P734-R784 VanDerWaalsContact CA-NH1 3.29Å; P734-R784 VanDerWaalsContact N-NH1 3.19Å
735S64.2Low64.6Low67 Ų6790.5 Ų90.547%0.46947%0.472SS..  trans-73.287172.664.20000110.6E733E733-S735 PolarHBondContact O-N 2.77Å
736V68.8Low62.7Low40 Ų4092.9 Ų92.924%0.24249%0.488CS..EExtended strand (participates in β ladder)trans-84.8113.4176.8-177.50000109.7P734 K738 E750 V752 L780P734-V736 VanDerWaalsContact C-N 3.34Å; P734-V736 HydrophobicContact CB-CG2 4.34Å; P734-V736 PolarHBondContact O-N 3.09Å; V736-K738 HydrophobicContact CG1-CG 4.3Å; V736-K738 PolarHBondContact O-N 2.98Å; V736-E750 HydrophobicContact CG1-CB 3.78Å; V736-E750 HydrophobicContact CG1-CG 4.23Å; V736-V752 HydrophobicContact CG2-CG2 4.48Å; V736-L780 HydrophobicContact CG2-CD1 3.89Å
737T68.3Low61Low63 Ų6397.3 Ų97.339%0.38751%0.509SS..EExtended strand (participates in β ladder)trans-81.2109.8172.3-53.40000108.9T751T737-T751 PolarHBondContact N-O 3.4Å; T737-T751 PolarHBondContact O-N 3.43Å; T737-T751 PolarHBondContact O-OG1 2.71Å
738K69.3Low59.6Low161 Ų161104.2 Ų104.270%0.754%0.536SS*.EExtended strand (participates in β ladder)trans-88.1104.5175.1-64.7-176.1177.81740109.3V736 E750V736-K738 HydrophobicContact CG1-CG 4.3Å; V736-K738 PolarHBondContact O-N 2.98Å; K738-E750 WeakPolarHBondContact CE-OE1 3.32Å; K738-E750 HydrophobicContact CG-CG 4.29Å
739A59.8Low58.7Low42 Ų42100.5 Ų100.535%0.34751%0.512SS..EExtended strand (participates in β ladder)trans-103.2147.5172.900000110.1T749A739-T749 PolarHBondContact N-O 3.42Å; A739-T749 PolarHBondContact O-N 2.89Å; A739-T749 VanDerWaalsContact O-O 3.08Å; A739-T749 PolarHBondContact O-OG1 3.43Å
740R56Low58.6Low156 Ų15694.8 Ų94.859%0.58949%0.485SS*.EExtended strand (participates in β ladder)trans-99.3131.3164-71.7178.8-172.4-172.34.6107.7W745 Q747R740-W745 HydrophobicContact CB-CB 3.93Å; R740-W745 HydrophobicContact CB-CE3 3.78Å; R740-W745 WeakPolarHBondContact CB-O 3.38Å; R740-W745 WeakPolarHBondContact CD-O 3.48Å; R740-W745 VanDerWaalsContact O-CZ3 3.26Å; R740-W745 WeakPolarHBondContact O-CZ3 3.38Å; R740-Q747 CarbonylContact C-O 3.57Å; R740-Q747 VanDerWaalsContact CA-O 3.3Å; R740-Q747 WeakPolarHBondContact CA-O 3.25Å
741A50.4Low58.8Low38 Ų3895.7 Ų95.731%0.31449%0.49SS..EExtended strand (participates in β ladder)trans-125.7170.2-179.600000110.4Q747 T749A741-Q747 PolarHBondContact N-O 2.72Å; A741-Q747 WeakPolarHBondContact O-CB 3.27Å; A741-Q747 PolarHBondContact O-N 3.25Å; A741-T749 HydrophobicContact CB-CG2 4.46Å
742G48.6Very low59.2Low41 Ų4193.2 Ų93.242%0.42347%0.468SS..SBendtrans84.8172.6179.400000114.7F744 W745G742-F744 PolarHBondContact O-N 2.82Å; G742-W745 PolarHBondContact O-N 2.96Å
743L36.9Very low59.4Low108 Ų10893.4 Ų93.457%0.56547%0.469SS*.G310 helixtrans-60.6129.2176.4-152.977000108.7W745L743-W745 VanDerWaalsContact C-N 3.32Å; L743-W745 PolarHBondContact O-N 3.06Å
744F41.8Very low59.7Low169 Ų16989.1 Ų89.174%0.74145%0.452SS*.G310 helixtrans64.418.5-176.3-50.3-79.1000117G742 L746G742-F744 PolarHBondContact O-N 2.82Å; F744-L746 HydrophobicContact CB-CD1 3.99Å; F744-L746 HydrophobicContact CB-CG 4.45Å; F744-L746 PolarHBondContact O-N 3.3Å
745W48.3Very low60.4Low182 Ų18289 Ų8969%0.68945%0.447SS*.G310 helixtrans61.325.7174.9-52.993.9000114.8R740 G742 L743R740-W745 HydrophobicContact CB-CB 3.93Å; R740-W745 HydrophobicContact CB-CE3 3.78Å; R740-W745 WeakPolarHBondContact CB-O 3.38Å; R740-W745 WeakPolarHBondContact CD-O 3.48Å; R740-W745 VanDerWaalsContact O-CZ3 3.26Å; R740-W745 WeakPolarHBondContact O-CZ3 3.38Å; G742-W745 PolarHBondContact O-N 2.96Å; L743-W745 VanDerWaalsContact C-N 3.32Å; L743-W745 PolarHBondContact O-N 3.06Å
746L47.5Very low60.8Low141 Ų14194.9 Ų94.974%0.73847%0.467SS*.  trans-77.5-25.8-175.9-80.8151.9000114F744F744-L746 HydrophobicContact CB-CD1 3.99Å; F744-L746 HydrophobicContact CB-CG 4.45Å; F744-L746 PolarHBondContact O-N 3.3Å
747Q50Low61.3Low103 Ų10394.9 Ų94.948%0.48147%0.467SS..EExtended strand (participates in β ladder)trans-91.4114.5-174-163.9172.7-11.300110.5R740 A741R740-Q747 CarbonylContact C-O 3.57Å; R740-Q747 VanDerWaalsContact CA-O 3.3Å; R740-Q747 WeakPolarHBondContact CA-O 3.25Å; A741-Q747 PolarHBondContact N-O 2.72Å; A741-Q747 WeakPolarHBondContact O-CB 3.27Å; A741-Q747 PolarHBondContact O-N 3.25Å
748K54.6Low61.7Low168 Ų16899.6 Ų99.673%0.7349%0.485SS*.EExtended strand (participates in β ladder)trans-80.5125.2173.6-66.7177.1-177.8175.50109.4
749T59.5Low62.2Low29 Ų2993.8 Ų93.818%0.17847%0.471CS..EExtended strand (participates in β ladder)trans-121.2131.5174.339.50000109.2A739 A741A739-T749 PolarHBondContact N-O 3.42Å; A739-T749 PolarHBondContact O-N 2.89Å; A739-T749 VanDerWaalsContact O-O 3.08Å; A739-T749 PolarHBondContact O-OG1 3.43Å; A741-T749 HydrophobicContact CB-CG2 4.46Å
750E72.3Confident63.4Low70 Ų7094.8 Ų94.833%0.32747%0.47SS..EExtended strand (participates in β ladder)trans-112.6123.7178.1-63.2-172153.200107.9V736 K738 Y812V736-E750 HydrophobicContact CG1-CB 3.78Å; V736-E750 HydrophobicContact CG1-CG 4.23Å; K738-E750 WeakPolarHBondContact CE-OE1 3.32Å; K738-E750 HydrophobicContact CG-CG 4.29Å; E750-Y812 HydrophobicContact CB-CD1 4.26Å; E750-Y812 HydrophobicContact CB-CE1 4.15Å
751T73.8Confident65Low39 Ų3988.2 Ų88.224%0.23945%0.446CS..EExtended strand (participates in β ladder)trans-127.8139.4-176.353.70000111.2T737 Y812 Q814T737-T751 PolarHBondContact N-O 3.4Å; T737-T751 PolarHBondContact O-N 3.43Å; T737-T751 PolarHBondContact O-OG1 2.71Å; T751-Y812 WeakPolarHBondContact CA-O 3.44Å; T751-Q814 HydrophobicContact CG2-CG 3.63Å
752V76.6Confident67Low6 Ų686.4 Ų86.44%0.03643%0.431CS..EExtended strand (participates in β ladder)trans-110.4117.4177-179.60000108.2V736 L780 L783 R784 Y812 K813V736-V752 HydrophobicContact CG2-CG2 4.48Å; V752-L780 HydrophobicContact CG2-CD2 4.13Å; V752-L783 HydrophobicContact CB-CD2 4.36Å; V752-L783 HydrophobicContact CG2-CD2 4.25Å; V752-R784 HydrophobicContact CG1-CG 3.83Å; V752-Y812 PolarHBondContact N-O 2.67Å; V752-Y812 VanDerWaalsContact N-O 3.07Å; V752-K813 WeakPolarHBondContact O-CD 3.17Å; V752-K813 PolarHBondContact O-NZ 3.07Å
753Q71.4Confident69.2Low136 Ų13684.4 Ų84.464%0.63641%0.41SS*.PPolyproline II helixtrans-65.2154.9180-63.5-154.34.100111.7K813Q753-K813 PolarHBondContact O-NZ 2.87Å
754D72.3Confident72Confident69 Ų6979.3 Ų79.337%0.36938%0.384SS..PPolyproline II helixtrans-78.7126173.5-73.3-20.9000108.7K393 K813K393-D754 IonicContact NZ-OD2 3.37Å; K393-D754 PolarHBondContact NZ-OD2 3.12Å; D754-K813 WeakPolarHBondContact OD1-CE 3.44Å; D754-K813 IonicContact OD1-NZ 3.88Å; D754-K813 PolarHBondContact OD1-NZ 2.87Å
755E77.4Confident74.5Confident41 Ų4171.3 Ų71.319%0.19235%0.349CS..PPolyproline II helixtrans-84.3127.7172-67177.4-155.200107.8S730 R784 M788S730-E755 WeakPolarHBondContact CB-OE2 3.41Å; E755-R784 IonicContact OE1-CZ 2.74Å; E755-R784 IonicContact OE1-NE 3.48Å; E755-R784 PolarHBondContact OE1-NE 3.34Å; E755-R784 IonicContact OE1-NH2 3.57Å; E755-R784 PolarHBondContact OE1-NH2 2.66Å; E755-M788 HydrophobicContact CB-CG 4.15Å; E755-M788 HydrophobicContact CB-SD 4.08Å
756Q72.9Confident76.5Confident190 Ų19064.3 Ų64.389%0.88833%0.325SS*.PPolyproline II helixtrans-79.4135.4175.7-65.3-144.8-20.600109.6
757V80.6Confident78.3Confident40 Ų4057.8 Ų57.824%0.24229%0.291CS..  trans-128.2138.2-178.2-93.50000109M726 C727 Y761 M788M726-V757 HydrophobicContact CB-CG1 3.96Å; C727-V757 HydrophobicContact CB-CG1 4.04Å; V757-Y761 HydrophobicContact CB-CE2 4.27Å; V757-M788 HydrophobicContact CG1-CB 4.18Å; V757-M788 HydrophobicContact CG1-CG 4.11Å; V757-M788 HydrophobicContact CG1-SD 3.74Å; V757-M788 HydrophobicContact CG2-CB 3.92Å; V757-M788 HydrophobicContact CG2-CG 4.26Å; V757-M788 WeakPolarHBondContact CG2-O 3.36Å
758E76.1Confident80.1Confident163 Ų16359 Ų5976%0.76230%0.297SS*.SBendtrans-85.3112.2173-69.5-170.516900109.8K702 Y761K702-E758 WeakPolarHBondContact CE-O 3.43Å; K702-E758 PolarHBondContact NZ-O 2.91Å; E758-Y761 PolarHBondContact O-OH 3.26Å
759G79.6Confident81.8Confident39 Ų3951 Ų5140%0.40226%0.262SS..SBendtrans104.9168.6174.400000114.6Y761G759-Y761 WeakPolarHBondContact O-CD2 3.45Å
760D84.6Confident83.4Confident62 Ų6249.7 Ų49.733%0.33225%0.254SS..  trans-93.7124.7-177.7-63.3-29000110.6R698 M701 K702R698-D760 IonicContact CZ-OD2 2.72Å; R698-D760 IonicContact NH2-OD2 3.55Å; R698-D760 PolarHBondContact NH2-OD2 2.99Å; M701-D760 WeakPolarHBondContact CA-O 3.41Å; M701-D760 WeakPolarHBondContact CB-O 3.21Å; M701-D760 HydrophobicContact CG-CB 4.03Å; K702-D760 PolarHBondContact N-O 3.3Å
761Y91Very high84.2Confident18 Ų1848.4 Ų48.47%0.07126%0.255CS..EExtended strand (participates in β ladder)trans-124.6154.5177.7-57.3-85.8000110.7K702 E703 F705 M726 V757 E758 G759 C789 Q790K702-Y761 HydrophobicContact CB-CD1 4.04Å; K702-Y761 HydrophobicContact CB-CE1 3.59Å; K702-Y761 HydrophobicContact CD-CE1 4.08Å; K702-Y761 HydrophobicContact CD-CE2 4.42Å; K702-Y761 VanDerWaalsContact CD-OH 3.31Å; K702-Y761 WeakPolarHBondContact CD-OH 3.37Å; K702-Y761 HydrophobicContact CG-CE1 4.46Å; E703-Y761 HydrophobicContact CB-CD1 4.22Å; F705-Y761 AromaticContact CE2-CD1 3.78Å; F705-Y761 HydrophobicContact CE2-CD1 3.78Å; F705-Y761 HydrophobicContact CE2-CG 4.36Å; F705-Y761 HydrophobicContact CZ-CD1 4.35Å; M726-Y761 HydrophobicContact CB-CE2 4.35Å; M726-Y761 HydrophobicContact CG-CD1 3.76Å; M726-Y761 HydrophobicContact CG-CD2 3.86Å; M726-Y761 HydrophobicContact CG-CE1 3.93Å; M726-Y761 HydrophobicContact CG-CE2 4.04Å; M726-Y761 HydrophobicContact CG-CG 3.72Å; M726-Y761 HydrophobicContact SD-CD1 4.33Å; M726-Y761 HydrophobicContact SD-CD2 3.99Å; M726-Y761 HydrophobicContact SD-CG 3.78Å; V757-Y761 HydrophobicContact CB-CE2 4.27Å; E758-Y761 PolarHBondContact O-OH 3.26Å; G759-Y761 WeakPolarHBondContact O-CD2 3.45Å; Y761-C789 WeakPolarHBondContact O-CA 3.46Å; Y761-C789 WeakPolarHBondContact O-CB 3.45Å; Y761-Q790 PolarHBondContact O-N 3.08Å
762A92.3Very high85.1Confident0 Ų049.4 Ų49.40%026%0.256CS..EExtended strand (participates in β ladder)trans-127.9151.817200000112.2L697 M701 E703 V704 F705 T791L697-A762 HydrophobicContact CD2-CB 3.42Å; L697-A762 VanDerWaalsContact CD2-CB 3.42Å; M701-A762 HydrophobicContact SD-CB 3.92Å; E703-A762 PolarHBondContact O-N 3.49Å; E703-A762 VanDerWaalsContact O-N 3.16Å; V704-A762 HydrophobicContact CG1-CB 4.23Å; V704-A762 HydrophobicContact CG2-CB 4.25Å; F705-A762 PolarHBondContact N-O 3.49Å; A762-T791 VanDerWaalsContact CA-O 3.28Å; A762-T791 WeakPolarHBondContact CA-O 3.44Å
763L94.8Very high85.8Confident0 Ų049.1 Ų49.10%026%0.255CS..EExtended strand (participates in β ladder)trans-124.1129.6176.2-17968.5000110.3F705 V707 A786 C789 T791 V792 I793F705-L763 HydrophobicContact CB-CD1 3.86Å; F705-L763 CarbonylContact O-C 3.56Å; F705-L763 WeakPolarHBondContact O-CA 3.41Å; V707-L763 HydrophobicContact CG2-CD1 3.74Å; L763-A786 HydrophobicContact CD2-CB 3.94Å; L763-C789 HydrophobicContact CB-CB 4.37Å; L763-T791 PolarHBondContact N-O 2.81Å; L763-V792 HydrophobicContact CB-CG1 4.4Å; L763-V792 HydrophobicContact CB-CG2 4.33Å; L763-V792 HydrophobicContact CD2-CG1 4.38Å; L763-V792 CarbonylContact O-C 3.58Å; L763-V792 VanDerWaalsContact O-CA 3.31Å; L763-V792 WeakPolarHBondContact O-CA 3.5Å; L763-I793 PolarHBondContact O-N 2.62Å
764I94.8Very high86.7Confident1 Ų143.8 Ų43.81%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-115.4125.3172.4-55.2-179.8000107.9Q684 E688 L697 V704 F705 I706 V707 I793Q684-I764 HydrophobicContact CG-CG2 3.93Å; E688-I764 HydrophobicContact CG-CD1 4.43Å; L697-I764 HydrophobicContact CD1-CD1 4.42Å; V704-I764 HydrophobicContact CG1-CD1 3.72Å; V704-I764 HydrophobicContact CG1-CG1 3.96Å; F705-I764 PolarHBondContact O-N 2.99Å; I706-I764 CarbonylContact C-O 3.56Å; I706-I764 WeakPolarHBondContact CA-O 3.43Å; I706-I764 HydrophobicContact CG1-CB 4.37Å; V707-I764 PolarHBondContact N-O 3.46Å; I764-I793 CarbonylContact C-O 3.58Å; I764-I793 VanDerWaalsContact CA-O 3.29Å; I764-I793 WeakPolarHBondContact CA-O 3.38Å; I764-I793 HydrophobicContact CG1-CB 4.37Å
765I94.8Very high87.6Confident1 Ų145.1 Ų45.11%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-130.6133.2-179.9-172.5166.1000111.5V707 L770 A773 L782 I793 C794 C795V707-I765 HydrophobicContact CB-CB 4.23Å; V707-I765 HydrophobicContact CB-CD1 4.27Å; V707-I765 HydrophobicContact CB-CG1 3.96Å; V707-I765 HydrophobicContact CG1-CD1 3.99Å; V707-I765 HydrophobicContact CG1-CG1 4.01Å; I765-L770 HydrophobicContact CD1-CB 4.17Å; I765-L770 HydrophobicContact CD1-CD1 4.08Å; I765-L770 HydrophobicContact CG1-CB 4.2Å; I765-L770 HydrophobicContact CG2-CD1 4.32Å; I765-A773 HydrophobicContact CD1-CB 4.06Å; I765-L782 HydrophobicContact CD1-CD1 3.87Å; I765-I793 PolarHBondContact N-O 2.94Å; I765-C794 HydrophobicContact CG2-CB 4.05Å; I765-C794 WeakPolarHBondContact CG2-SG 3.17Å; I765-C794 WeakPolarHBondContact O-CA 3.1Å; I765-C795 PolarHBondContact O-N 3.12Å
766N90.2Very high87.7Confident34 Ų3451.5 Ų51.518%0.18226%0.262CS..EExtended strand (participates in β ladder)trans-80.2148.3176.8-75.7-28.7000112.1Q684 V707 H768 S769 L770 C795Q684-N766 PolarHBondContact OE1-ND2 3.04Å; Q684-N766 PolarHBondContact OE1-OD1 3Å; V707-N766 PolarHBondContact O-N 3.17Å; V707-N766 VanDerWaalsContact O-N 3.17Å; N766-H768 VanDerWaalsContact C-N 3.27Å; N766-H768 PolarHBondContact O-N 3.28Å; N766-S769 WeakPolarHBondContact O-CB 3.29Å; N766-S769 PolarHBondContact O-N 2.92Å; N766-L770 WeakPolarHBondContact O-CB 3.37Å; N766-L770 PolarHBondContact O-N 3.38Å; N766-C795 CarbonylContact C-O 3.47Å
767G85.1Confident88.1Confident4 Ų449.6 Ų49.64%0.04126%0.258CS..Hα-helixtrans-60-30.4-174.600000115A771 C795 Q801G767-A771 PolarHBondContact O-N 3.36Å; G767-A771 VanDerWaalsContact O-N 3.11Å; G767-C795 WeakPolarHBondContact CA-O 3.32Å; G767-C795 PolarHBondContact N-O 3.41Å; G767-Q801 PolarHBondContact O-NE2 3.39Å
768H86.8Confident88.4Confident128 Ų12848.2 Ų48.259%0.59325%0.248SC*.Hα-helixtrans-69.6-48172.8-68.3-67.7000111.6N766 L770 A771 F772N766-H768 VanDerWaalsContact C-N 3.27Å; N766-H768 PolarHBondContact O-N 3.28Å; H768-L770 VanDerWaalsContact C-N 3.28Å; H768-L770 PolarHBondContact O-N 3.39Å; H768-A771 WeakPolarHBondContact O-CB 3.31Å; H768-A771 PolarHBondContact O-N 3.34Å; H768-F772 WeakPolarHBondContact O-CD2 3.49Å
769S92.1Very high89.1Confident1 Ų142 Ų421%0.00722%0.219CC..Hα-helixtrans-62.8-37.5175.2-48.60000111.5A709 N766 A771 F772 A773A709-S769 WeakPolarHBondContact O-CB 3.45Å; A709-S769 PolarHBondContact O-OG 2.94Å; N766-S769 WeakPolarHBondContact O-CB 3.29Å; N766-S769 PolarHBondContact O-N 2.92Å; S769-A771 VanDerWaalsContact C-N 3.31Å; S769-A771 PolarHBondContact O-N 3.46Å; S769-F772 PolarHBondContact O-N 3.43Å; S769-A773 WeakPolarHBondContact O-CB 3.5Å; S769-A773 PolarHBondContact O-N 3.4Å
770L92.3Very high89.5Confident2 Ų241.7 Ų41.71%0.0121%0.209CC..Hα-helixtrans-63.4-35.4175.8-175.965.7000112I765 N766 H768 F772 A773 L774 L782 C794 V797 Q801 V805I765-L770 HydrophobicContact CD1-CB 4.17Å; I765-L770 HydrophobicContact CD1-CD1 4.08Å; I765-L770 HydrophobicContact CG1-CB 4.2Å; I765-L770 HydrophobicContact CG2-CD1 4.32Å; N766-L770 WeakPolarHBondContact O-CB 3.37Å; N766-L770 PolarHBondContact O-N 3.38Å; H768-L770 VanDerWaalsContact C-N 3.28Å; H768-L770 PolarHBondContact O-N 3.39Å; L770-F772 VanDerWaalsContact C-N 3.34Å; L770-F772 PolarHBondContact O-N 2.95Å; L770-A773 PolarHBondContact O-N 3.5Å; L770-L774 HydrophobicContact CD1-CD1 4.24Å; L770-L774 HydrophobicContact CD1-CG 4.07Å; L770-L774 HydrophobicContact CD2-CD1 4.36Å; L770-L774 HydrophobicContact CG-CD1 3.85Å; L770-L774 HydrophobicContact CG-CG 4.15Å; L770-L774 WeakPolarHBondContact O-CB 3.36Å; L770-L774 VanDerWaalsContact O-CG 3.25Å; L770-L774 WeakPolarHBondContact O-CG 3.46Å; L770-L774 PolarHBondContact O-N 2.79Å; L770-L782 HydrophobicContact CD1-CD2 3.7Å; L770-C794 HydrophobicContact CD2-CB 4.26Å; L770-V797 HydrophobicContact CD2-CG1 3.49Å; L770-V797 VanDerWaalsContact CD2-CG1 3.49Å; L770-Q801 HydrophobicContact CD2-CB 4.46Å; L770-V805 HydrophobicContact CD1-CG2 4.16Å; L770-V805 HydrophobicContact CD2-CG2 3.95Å
771A89.5Confident89.7Confident42 Ų4239.4 Ų39.435%0.34720%0.196SC..Hα-helixtrans-59.2-46.5176.300000111.2G767 H768 S769 L774G767-A771 PolarHBondContact O-N 3.36Å; G767-A771 VanDerWaalsContact O-N 3.11Å; H768-A771 WeakPolarHBondContact O-CB 3.31Å; H768-A771 PolarHBondContact O-N 3.34Å; S769-A771 VanDerWaalsContact C-N 3.31Å; S769-A771 PolarHBondContact O-N 3.46Å; A771-L774 PolarHBondContact O-N 3.01Å
772F91.5Very high89.8Confident60 Ų6039.1 Ų39.126%0.26320%0.195SC..Hα-helixtrans-67-40.8173.9-61.9-61.1000111.8N710 P712 V715 H768 S769 L770 L774 E775N710-F772 WeakPolarHBondContact O-CE2 3.11Å; P712-F772 HydrophobicContact CB-CB 4.44Å; P712-F772 HydrophobicContact CB-CD1 4.24Å; P712-F772 HydrophobicContact CB-CG 4.44Å; V715-F772 HydrophobicContact CG2-CB 4.43Å; V715-F772 HydrophobicContact CG2-CD2 4.48Å; H768-F772 WeakPolarHBondContact O-CD2 3.49Å; S769-F772 PolarHBondContact O-N 3.43Å; L770-F772 VanDerWaalsContact C-N 3.34Å; L770-F772 PolarHBondContact O-N 2.95Å; F772-L774 PolarHBondContact O-N 2.91Å; F772-E775 WeakPolarHBondContact O-CB 3.19Å; F772-E775 PolarHBondContact O-N 2.9Å; F772-E775 VanDerWaalsContact O-N 3.09Å
773A91.8Very high89.7Confident0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-67-20.5-18000000113.7V715 L719 I765 S769 L770 L778 E779 L782V715-A773 HydrophobicContact CG1-CB 3.97Å; L719-A773 HydrophobicContact CD1-CB 4.38Å; I765-A773 HydrophobicContact CD1-CB 4.06Å; S769-A773 WeakPolarHBondContact O-CB 3.5Å; S769-A773 PolarHBondContact O-N 3.4Å; L770-A773 PolarHBondContact O-N 3.5Å; A773-L778 CarbonylContact O-C 3.59Å; A773-E779 WeakPolarHBondContact O-CA 3.13Å; A773-E779 PolarHBondContact O-N 3.35Å; A773-L782 HydrophobicContact CB-CB 4.19Å; A773-L782 HydrophobicContact CB-CD1 4.17Å; A773-L782 HydrophobicContact CB-CD2 3.84Å; A773-L782 HydrophobicContact CB-CG 4.28Å
774L91.2Very high89.4Confident24 Ų2439.4 Ų39.413%0.12620%0.197CC..THydrogen-bonded Turntrans-88.7-3.7174.8-72.8171.4000113.3L770 A771 F772 L782 Q801 Q804 V805 L808L770-L774 HydrophobicContact CD1-CD1 4.24Å; L770-L774 HydrophobicContact CD1-CG 4.07Å; L770-L774 HydrophobicContact CD2-CD1 4.36Å; L770-L774 HydrophobicContact CG-CD1 3.85Å; L770-L774 HydrophobicContact CG-CG 4.15Å; L770-L774 WeakPolarHBondContact O-CB 3.36Å; L770-L774 VanDerWaalsContact O-CG 3.25Å; L770-L774 WeakPolarHBondContact O-CG 3.46Å; L770-L774 PolarHBondContact O-N 2.79Å; A771-L774 PolarHBondContact O-N 3.01Å; F772-L774 PolarHBondContact O-N 2.91Å; L774-L782 HydrophobicContact CD2-CD2 4.25Å; L774-Q801 HydrophobicContact CD1-CB 4.49Å; L774-Q801 HydrophobicContact CD1-CG 4.39Å; L774-Q804 HydrophobicContact CD1-CB 4Å; L774-Q804 HydrophobicContact CD2-CB 4.45Å; L774-V805 HydrophobicContact CD1-CG2 4.34Å; L774-V805 HydrophobicContact CD2-CG2 4.26Å; L774-L808 HydrophobicContact CD2-CD2 4.08Å
775E89.9Confident89.1Confident97 Ų9739.4 Ų39.445%0.45320%0.196SC..SBendtrans-68.8151.5171.6-64.9-177175.700110.8F772 D777 L778 E779F772-E775 WeakPolarHBondContact O-CB 3.19Å; F772-E775 PolarHBondContact O-N 2.9Å; F772-E775 VanDerWaalsContact O-N 3.09Å; E775-D777 PolarHBondContact O-N 3Å; E775-L778 PolarHBondContact O-N 2.73Å; E775-E779 WeakPolarHBondContact O-CB 3.32Å; E775-E779 PolarHBondContact O-N 3.18Å
776K79.4Confident89Confident176 Ų17639.4 Ų39.477%0.76520%0.197SC*.THydrogen-bonded Turntrans-56.3-26.8-171-70.6-175.8-179.9175.20114.5
777D82.2Confident88.9Confident150 Ų15038 Ų3880%0.80219%0.19SC*.THydrogen-bonded Turntrans-81.2-21.7-177.8-60.9-23.2000112.6E775E775-D777 PolarHBondContact O-N 3Å
778L87.5Confident89.1Confident10 Ų1038.2 Ų38.25%0.05219%0.19CC..THydrogen-bonded Turntrans-117.2-15.9-175.9-63.7177.9000113.9P712 K716 A773 E775 L780 E781 L782P712-L778 HydrophobicContact CB-CD1 4.44Å; K716-L778 HydrophobicContact CB-CD2 3.68Å; K716-L778 HydrophobicContact CD-CD2 3.84Å; K716-L778 HydrophobicContact CG-CD2 3.64Å; A773-L778 CarbonylContact O-C 3.59Å; E775-L778 PolarHBondContact O-N 2.73Å; L778-L780 PolarHBondContact O-N 2.87Å; L778-L780 VanDerWaalsContact O-N 3.11Å; L778-E781 PolarHBondContact O-N 2.77Å; L778-L782 PolarHBondContact O-N 2.91Å
779E90.2Very high89.2Confident32 Ų3232.1 Ų32.115%0.1516%0.161CC..Hα-helixtrans-56.5-33.9-174.770.3173.5-16900113.4A773 E775 L783 L808 Y812A773-E779 WeakPolarHBondContact O-CA 3.13Å; A773-E779 PolarHBondContact O-N 3.35Å; E775-E779 WeakPolarHBondContact O-CB 3.32Å; E775-E779 PolarHBondContact O-N 3.18Å; E779-L783 WeakPolarHBondContact O-CB 3.39Å; E779-L783 PolarHBondContact O-N 3.28Å; E779-L783 VanDerWaalsContact O-N 3.1Å; E779-L808 HydrophobicContact CB-CD1 3.77Å; E779-L808 HydrophobicContact CG-CD1 4.12Å; E779-Y812 HydrophobicContact CG-CE2 4.43Å; E779-Y812 WeakPolarHBondContact OE1-CE2 3.42Å; E779-Y812 PolarHBondContact OE1-OH 2.88Å
780L88.6Confident88.9Confident34 Ų3434.3 Ų34.318%0.17817%0.171CC..Hα-helixtrans-74.9-35.3177.5-66.2178.8000112.4P734 V736 V752 L778 L783 R784 Y812P734-L780 HydrophobicContact CB-CB 4.23Å; P734-L780 HydrophobicContact CB-CD1 4.39Å; P734-L780 HydrophobicContact CG-CB 4.27Å; P734-L780 HydrophobicContact CG-CD1 4.08Å; V736-L780 HydrophobicContact CG2-CD1 3.89Å; V752-L780 HydrophobicContact CG2-CD2 4.13Å; L778-L780 PolarHBondContact O-N 2.87Å; L778-L780 VanDerWaalsContact O-N 3.11Å; L780-L783 PolarHBondContact O-N 2.91Å; L780-R784 WeakPolarHBondContact O-CG 3.29Å; L780-R784 PolarHBondContact O-N 3.36Å; L780-Y812 HydrophobicContact CD2-CD1 3.95Å; L780-Y812 HydrophobicContact CD2-CD2 4.11Å; L780-Y812 HydrophobicContact CD2-CE1 3.79Å; L780-Y812 HydrophobicContact CD2-CE2 3.92Å; L780-Y812 HydrophobicContact CD2-CG 4.13Å
781E88.9Confident88.8Confident14 Ų1434.6 Ų34.67%0.06517%0.173CC..Hα-helixtrans-71.8-40.8179.1-165.764.4-168.600110.7L719 Q720 R723 L778 R784 T785L719-E781 HydrophobicContact CB-CG 4.24Å; Q720-E781 HydrophobicContact CG-CG 4.31Å; R723-E781 WeakPolarHBondContact CD-OE1 3.35Å; R723-E781 IonicContact CZ-OE1 3.51Å; R723-E781 IonicContact NE-OE1 2.67Å; R723-E781 IonicContact NH1-OE1 2.71Å; R723-E781 PolarHBondContact NH1-OE1 3.01Å; R723-E781 IonicContact NH1-OE2 3.65Å; L778-E781 PolarHBondContact O-N 2.77Å; E781-R784 PolarHBondContact O-N 2.83Å; E781-R784 IonicContact OE2-NH1 3.59Å; E781-T785 WeakPolarHBondContact O-CB 3.41Å; E781-T785 PolarHBondContact O-N 3.17Å; E781-T785 PolarHBondContact O-OG1 2.78Å
782L92.1Very high89.1Confident11 Ų1132.7 Ų32.76%0.05816%0.158CC..Hα-helixtrans-56.8-50.717017766.4000110.5L719 I765 L770 A773 L774 L778 R784 T785 A786 L808L719-L782 HydrophobicContact CD1-CB 4.27Å; L719-L782 HydrophobicContact CD1-CD1 4.49Å; L719-L782 HydrophobicContact CD2-CD1 4.06Å; I765-L782 HydrophobicContact CD1-CD1 3.87Å; L770-L782 HydrophobicContact CD1-CD2 3.7Å; A773-L782 HydrophobicContact CB-CB 4.19Å; A773-L782 HydrophobicContact CB-CD1 4.17Å; A773-L782 HydrophobicContact CB-CD2 3.84Å; A773-L782 HydrophobicContact CB-CG 4.28Å; L774-L782 HydrophobicContact CD2-CD2 4.25Å; L778-L782 PolarHBondContact O-N 2.91Å; L782-R784 PolarHBondContact O-N 3.46Å; L782-T785 PolarHBondContact O-N 2.88Å; L782-A786 WeakPolarHBondContact O-CB 3.34Å; L782-A786 PolarHBondContact O-N 2.96Å; L782-L808 HydrophobicContact CD2-CD2 4.24Å
783L91.1Very high89.3Confident1 Ų130 Ų301%0.00515%0.146CC..Hα-helixtrans-61.1-44.3-178-177.771.6000112.2V752 E779 L780 C787 L808 V809 Y812 K813V752-L783 HydrophobicContact CB-CD2 4.36Å; V752-L783 HydrophobicContact CG2-CD2 4.25Å; E779-L783 WeakPolarHBondContact O-CB 3.39Å; E779-L783 PolarHBondContact O-N 3.28Å; E779-L783 VanDerWaalsContact O-N 3.1Å; L780-L783 PolarHBondContact O-N 2.91Å; L783-C787 WeakPolarHBondContact O-CB 3.48Å; L783-C787 PolarHBondContact O-N 2.97Å; L783-C787 PolarHBondContact O-SG 2.88Å; L783-L808 HydrophobicContact CB-CD2 4.34Å; L783-L808 HydrophobicContact CD1-CG 4.4Å; L783-V809 HydrophobicContact CD1-CB 4.44Å; L783-V809 HydrophobicContact CD1-CG2 3.83Å; L783-Y812 HydrophobicContact CD2-CD2 4.06Å; L783-Y812 HydrophobicContact CD2-CG 3.98Å; L783-K813 HydrophobicContact CD1-CG 4.2Å; L783-K813 HydrophobicContact CD2-CG 4.42Å
784R87Confident89.4Confident6 Ų630.1 Ų30.12%0.02315%0.146CC..Hα-helixtrans-59.8-50.7177.6-76.3176.979.4-165.612111A731 E733 P734 V752 E755 L780 E781 L782 M788A731-R784 PolarHBondContact O-NH1 2.65Å; A731-R784 PolarHBondContact O-NH2 3.21Å; E733-R784 PolarHBondContact O-NH1 2.84Å; E733-R784 VanDerWaalsContact O-NH1 3.13Å; P734-R784 VanDerWaalsContact CA-NH1 3.29Å; P734-R784 VanDerWaalsContact N-NH1 3.19Å; V752-R784 HydrophobicContact CG1-CG 3.83Å; E755-R784 IonicContact OE1-CZ 2.74Å; E755-R784 IonicContact OE1-NE 3.48Å; E755-R784 PolarHBondContact OE1-NE 3.34Å; E755-R784 IonicContact OE1-NH2 3.57Å; E755-R784 PolarHBondContact OE1-NH2 2.66Å; L780-R784 WeakPolarHBondContact O-CG 3.29Å; L780-R784 PolarHBondContact O-N 3.36Å; E781-R784 PolarHBondContact O-N 2.83Å; E781-R784 IonicContact OE2-NH1 3.59Å; L782-R784 PolarHBondContact O-N 3.46Å; R784-M788 PolarHBondContact O-N 2.97Å
785T89.3Confident89.4Confident0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-63.4-50.5-178.1-50.20000111.2L719 A722 M726 E781 L782 C787 M788L719-T785 HydrophobicContact CD2-CG2 4.2Å; A722-T785 HydrophobicContact CB-CG2 3.85Å; M726-T785 HydrophobicContact CE-CG2 3.63Å; E781-T785 WeakPolarHBondContact O-CB 3.41Å; E781-T785 PolarHBondContact O-N 3.17Å; E781-T785 PolarHBondContact O-OG1 2.78Å; L782-T785 PolarHBondContact O-N 2.88Å; T785-C787 VanDerWaalsContact C-N 3.35Å; T785-C787 PolarHBondContact O-N 2.85Å; T785-M788 PolarHBondContact O-N 2.77Å
786A91.9Very high89.1Confident1 Ų130.3 Ų30.31%0.00814%0.141CC..Hα-helixtrans-65.2-34.8-17800000112.9W677 L763 L782 M788 C789 V792W677-A786 HydrophobicContact CH2-CB 3.52Å; W677-A786 HydrophobicContact CZ2-CB 3.83Å; W677-A786 HydrophobicContact CZ3-CB 4.22Å; L763-A786 HydrophobicContact CD2-CB 3.94Å; L782-A786 WeakPolarHBondContact O-CB 3.34Å; L782-A786 PolarHBondContact O-N 2.96Å; A786-M788 VanDerWaalsContact C-N 3.31Å; A786-M788 PolarHBondContact O-N 3.24Å; A786-C789 PolarHBondContact O-N 3.41Å; A786-V792 HydrophobicContact CB-CG2 4.06Å; A786-V792 WeakPolarHBondContact O-CG2 3.35Å
787C88.9Confident89.3Confident5 Ų522.2 Ų22.23%0.03411%0.107CC..Hα-helixtrans-75-16.2178.8-72.60000114Y394 K675 L783 T785 K813Y394-C787 PolarHBondContact OH-SG 3.09Å; K675-C787 PolarHBondContact NZ-O 3.43Å; L783-C787 WeakPolarHBondContact O-CB 3.48Å; L783-C787 PolarHBondContact O-N 2.97Å; L783-C787 PolarHBondContact O-SG 2.88Å; T785-C787 VanDerWaalsContact C-N 3.35Å; T785-C787 PolarHBondContact O-N 2.85Å; C787-K813 WeakPolarHBondContact SG-CE 3.37Å
788M88.2Confident89.2Confident9 Ų918.3 Ų18.34%0.0449%0.088CC..Hα-helixtrans-76.5-30.5170-71.8-175.3-71.800111.9R723 M726 C727 E755 V757 R784 T785 A786R723-M788 HydrophobicContact CB-CE 4.11Å; R723-M788 HydrophobicContact CG-CE 3.55Å; M726-M788 HydrophobicContact CB-CE 4.49Å; M726-M788 HydrophobicContact CB-SD 4.33Å; M726-M788 HydrophobicContact CE-CB 4.3Å; M726-M788 HydrophobicContact CE-CE 3.81Å; M726-M788 HydrophobicContact SD-CB 3.91Å; C727-M788 HydrophobicContact CB-SD 4.03Å; E755-M788 HydrophobicContact CB-CG 4.15Å; E755-M788 HydrophobicContact CB-SD 4.08Å; V757-M788 HydrophobicContact CG1-CB 4.18Å; V757-M788 HydrophobicContact CG1-CG 4.11Å; V757-M788 HydrophobicContact CG1-SD 3.74Å; V757-M788 HydrophobicContact CG2-CB 3.92Å; V757-M788 HydrophobicContact CG2-CG 4.26Å; V757-M788 WeakPolarHBondContact CG2-O 3.36Å; R784-M788 PolarHBondContact O-N 2.97Å; T785-M788 PolarHBondContact O-N 2.77Å; A786-M788 VanDerWaalsContact C-N 3.31Å; A786-M788 PolarHBondContact O-N 3.24Å
789C89.7Confident88.9Confident0 Ų020.1 Ų20.10%010%0.101CC..SBendtrans-70.3145.1177.1-610000112Y761 L763 A786 V792Y761-C789 WeakPolarHBondContact O-CA 3.46Å; Y761-C789 WeakPolarHBondContact O-CB 3.45Å; L763-C789 HydrophobicContact CB-CB 4.37Å; A786-C789 PolarHBondContact O-N 3.41Å; C789-V792 HydrophobicContact CB-CG2 4.15Å
790Q86.5Confident88.4Confident46 Ų4624.2 Ų24.222%0.21512%0.123CC..SBendtrans-73.1-38.6172.5-173177.534.900110.8Y761Y761-Q790 PolarHBondContact O-N 3.08Å
791T90.4Very high88.3Confident8 Ų823.7 Ų23.75%0.04912%0.12CC..EExtended strand (participates in β ladder)trans-126.7138.5-180-69.60000110.6M696 L697 A762 L763 I793M696-T791 HydrophobicContact CB-CG2 4.09Å; M696-T791 HydrophobicContact CE-CG2 3.55Å; M696-T791 PolarHBondContact O-OG1 3.49Å; L697-T791 HydrophobicContact CD2-CG2 4.29Å; A762-T791 VanDerWaalsContact CA-O 3.28Å; A762-T791 WeakPolarHBondContact CA-O 3.44Å; L763-T791 PolarHBondContact N-O 2.81Å; T791-I793 HydrophobicContact CG2-CD1 4.45Å; T791-I793 HydrophobicContact CG2-CG1 4.02Å
792V95.4Very high88.3Confident3 Ų323.3 Ų23.32%0.01812%0.118CC..EExtended strand (participates in β ladder)trans-128.4131.5172.9-177.90000108.7W677 V678 L763 A786 C789W677-V792 CarbonylContact C-O 3.58Å; W677-V792 VanDerWaalsContact CA-O 3.25Å; W677-V792 WeakPolarHBondContact CA-O 3.45Å; W677-V792 HydrophobicContact CB-CB 4.32Å; W677-V792 HydrophobicContact CD2-CB 3.77Å; W677-V792 HydrophobicContact CD2-CG1 4.34Å; W677-V792 HydrophobicContact CD2-CG2 3.92Å; W677-V792 HydrophobicContact CE3-CB 4.27Å; W677-V792 HydrophobicContact CE3-CG1 4.34Å; W677-V792 HydrophobicContact CG-CB 3.76Å; W677-V792 HydrophobicContact CG-CG2 4.18Å; W677-V792 HydrophobicContact CZ2-CG2 3.97Å; V678-V792 PolarHBondContact N-O 3.16Å; L763-V792 HydrophobicContact CB-CG1 4.4Å; L763-V792 HydrophobicContact CB-CG2 4.33Å; L763-V792 HydrophobicContact CD2-CG1 4.38Å; L763-V792 CarbonylContact O-C 3.58Å; L763-V792 VanDerWaalsContact O-CA 3.31Å; L763-V792 WeakPolarHBondContact O-CA 3.5Å; A786-V792 HydrophobicContact CB-CG2 4.06Å; A786-V792 WeakPolarHBondContact O-CG2 3.35Å; C789-V792 HydrophobicContact CB-CG2 4.15Å
793I95.3Very high88.2Confident2 Ų223.3 Ų23.31%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-121.3116.9177.6-55.3-178.4000108.2V678 A687 L697 L763 I764 I765 T791V678-I793 HydrophobicContact CB-CG1 4.42Å; V678-I793 HydrophobicContact CB-CG2 4.45Å; V678-I793 CarbonylContact O-C 3.55Å; V678-I793 WeakPolarHBondContact O-CA 3.44Å; A687-I793 HydrophobicContact CB-CG2 3.73Å; L697-I793 HydrophobicContact CD1-CD1 3.92Å; L697-I793 HydrophobicContact CD2-CD1 4.28Å; L697-I793 HydrophobicContact CG-CD1 4.11Å; L763-I793 PolarHBondContact O-N 2.62Å; I764-I793 CarbonylContact C-O 3.58Å; I764-I793 VanDerWaalsContact CA-O 3.29Å; I764-I793 WeakPolarHBondContact CA-O 3.38Å; I764-I793 HydrophobicContact CG1-CB 4.37Å; I765-I793 PolarHBondContact N-O 2.94Å; T791-I793 HydrophobicContact CG2-CD1 4.45Å; T791-I793 HydrophobicContact CG2-CG1 4.02Å
794C94.4Very high88.2Confident3 Ų327 Ų272%0.0214%0.137CC..EExtended strand (participates in β ladder)trans-103.6122.1173.8-55.20000109.2V678 L679 T680 I765 L770 V797V678-C794 PolarHBondContact O-N 3.03Å; L679-C794 HydrophobicContact CD2-CB 3.62Å; L679-C794 WeakPolarHBondContact CD2-SG 3.19Å; T680-C794 PolarHBondContact N-O 3.46Å; I765-C794 HydrophobicContact CG2-CB 4.05Å; I765-C794 WeakPolarHBondContact CG2-SG 3.17Å; I765-C794 WeakPolarHBondContact O-CA 3.1Å; L770-C794 HydrophobicContact CD2-CB 4.26Å; C794-V797 HydrophobicContact CB-CG1 3.58Å
795C90.3Very high88.6Confident0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-106.6151-173.7-530000111T680 Q684 I765 N766 G767 V797T680-C795 CarbonylContact O-C 3.59Å; Q684-C795 HydrophobicContact CB-CB 4.28Å; I765-C795 PolarHBondContact O-N 3.12Å; N766-C795 CarbonylContact C-O 3.47Å; G767-C795 WeakPolarHBondContact CA-O 3.32Å; G767-C795 PolarHBondContact N-O 3.41Å; C795-V797 PolarHBondContact O-N 3.39Å
796R83.6Confident88.8Confident125 Ų12527 Ų2747%0.47214%0.137SC..SBendtrans49.839.5-177.6-59.9-169.4-180179.94.7114T680 G681 D682T680-R796 PolarHBondContact O-N 3.48Å; G681-R796 WeakPolarHBondContact O-CA 3.43Å; D682-R796 WeakPolarHBondContact O-CG 3.3Å; D682-R796 PolarHBondContact O-N 3.39Å
797V83.7Confident88.7Confident7 Ų731.7 Ų31.74%0.04216%0.159CC..  trans-87.3138.7179.6-61.30000112L679 T680 L770 C794 C795 Q801 K802L679-V797 HydrophobicContact CB-CG2 4.19Å; T680-V797 WeakPolarHBondContact O-CG2 3.29Å; T680-V797 PolarHBondContact O-N 2.77Å; L770-V797 HydrophobicContact CD2-CG1 3.49Å; L770-V797 VanDerWaalsContact CD2-CG1 3.49Å; C794-V797 HydrophobicContact CB-CG1 3.58Å; C795-V797 PolarHBondContact O-N 3.39Å; V797-Q801 HydrophobicContact CB-CB 4.37Å; V797-K802 HydrophobicContact CB-CG 4.43Å; V797-K802 HydrophobicContact CG2-CD 4.31Å; V797-K802 HydrophobicContact CG2-CG 3.62Å
798T80.5Confident88.9Confident67 Ų6732 Ų3241%0.41116%0.16SC..  trans-77.1156.6173.562.90000111.5L800 Q801 K802T798-L800 PolarHBondContact O-N 3.48Å; T798-L800 VanDerWaalsContact O-N 3.12Å; T798-Q801 PolarHBondContact O-N 3.32Å; T798-Q801 WeakPolarHBondContact OG1-CB 3.37Å; T798-Q801 VanDerWaalsContact OG1-CG 3.25Å; T798-Q801 WeakPolarHBondContact OG1-CG 3.41Å; T798-Q801 PolarHBondContact OG1-N 3.07Å; T798-Q801 PolarHBondContact OG1-OE1 2.88Å; T798-K802 WeakPolarHBondContact O-CG 3.43Å; T798-K802 PolarHBondContact O-N 3.28Å
799P80.3Confident89.1Confident49 Ų4931.5 Ų31.532%0.31816%0.158SC..Hα-helixtrans-52.6-34.4175.3-30.837.5000114.2A803 N825 S828P799-A803 PolarHBondContact O-N 3.11Å; P799-N825 WeakPolarHBondContact CB-O 3.42Å; P799-N825 HydrophobicContact CG-CB 4.07Å; P799-S828 PolarHBondContact O-OG 2.9Å
800L81Confident89.1Confident118 Ų11834.8 Ų34.862%0.61817%0.172SC*.Hα-helixtrans-70.2-45176.8-177.163000111.5T798 K802 A803 Q804T798-L800 PolarHBondContact O-N 3.48Å; T798-L800 VanDerWaalsContact O-N 3.12Å; L800-K802 VanDerWaalsContact C-N 3.3Å; L800-K802 PolarHBondContact O-N 3.15Å; L800-A803 WeakPolarHBondContact O-CB 3.25Å; L800-A803 PolarHBondContact O-N 3.28Å; L800-A803 VanDerWaalsContact O-N 3.16Å; L800-Q804 WeakPolarHBondContact O-CG 3.5Å; L800-Q804 PolarHBondContact O-N 3.35Å
801Q85.9Confident89.1Confident23 Ų2337.7 Ų37.711%0.10718%0.184CC..Hα-helixtrans-61.9-38.3176.6-73.6169.6-39.100111.7G767 L770 L774 V797 T798 A803 Q804 V805G767-Q801 PolarHBondContact O-NE2 3.39Å; L770-Q801 HydrophobicContact CD2-CB 4.46Å; L774-Q801 HydrophobicContact CD1-CB 4.49Å; L774-Q801 HydrophobicContact CD1-CG 4.39Å; V797-Q801 HydrophobicContact CB-CB 4.37Å; T798-Q801 PolarHBondContact O-N 3.32Å; T798-Q801 WeakPolarHBondContact OG1-CB 3.37Å; T798-Q801 VanDerWaalsContact OG1-CG 3.25Å; T798-Q801 WeakPolarHBondContact OG1-CG 3.41Å; T798-Q801 PolarHBondContact OG1-N 3.07Å; T798-Q801 PolarHBondContact OG1-OE1 2.88Å; Q801-A803 VanDerWaalsContact C-N 3.3Å; Q801-A803 PolarHBondContact O-N 3.24Å; Q801-Q804 PolarHBondContact O-N 3.49Å; Q801-Q804 VanDerWaalsContact O-N 3.17Å; Q801-V805 WeakPolarHBondContact O-CG2 3.46Å; Q801-V805 PolarHBondContact O-N 3.07Å
802K89.8Confident89Confident5 Ų537.7 Ų37.72%0.02218%0.183CC..Hα-helixtrans-54.3-48.5173.5-63.5-167.2-172-172.40111D398 L679 V797 T798 L800 V805 V806 D826 M829D398-K802 IonicContact OD1-NZ 3.96Å; D398-K802 PolarHBondContact OD1-NZ 3.06Å; L679-K802 HydrophobicContact CB-CD 4.25Å; L679-K802 HydrophobicContact CB-CG 4.04Å; L679-K802 HydrophobicContact CD1-CB 4.25Å; L679-K802 WeakPolarHBondContact O-CE 3.5Å; L679-K802 PolarHBondContact O-NZ 3.3Å; L679-K802 VanDerWaalsContact O-NZ 3.16Å; V797-K802 HydrophobicContact CB-CG 4.43Å; V797-K802 HydrophobicContact CG2-CD 4.31Å; V797-K802 HydrophobicContact CG2-CG 3.62Å; T798-K802 WeakPolarHBondContact O-CG 3.43Å; T798-K802 PolarHBondContact O-N 3.28Å; L800-K802 VanDerWaalsContact C-N 3.3Å; L800-K802 PolarHBondContact O-N 3.15Å; K802-V805 PolarHBondContact O-N 2.9Å; K802-V806 WeakPolarHBondContact O-CG2 3.31Å; K802-V806 PolarHBondContact O-N 3.26Å; K802-D826 IonicContact NZ-OD1 3.92Å; K802-D826 PolarHBondContact NZ-OD1 3.44Å; K802-M829 HydrophobicContact CB-CB 4.02Å; K802-M829 HydrophobicContact CB-CG 4.21Å; K802-M829 HydrophobicContact CB-SD 4.21Å; K802-M829 HydrophobicContact CD-SD 4.26Å
803A89.3Confident88.5Confident11 Ų1138.9 Ų38.99%0.09119%0.188CC..Hα-helixtrans-64.6-40.7177.700000112.7P799 L800 Q801 V805 V806 E807 A832P799-A803 PolarHBondContact O-N 3.11Å; L800-A803 WeakPolarHBondContact O-CB 3.25Å; L800-A803 PolarHBondContact O-N 3.28Å; L800-A803 VanDerWaalsContact O-N 3.16Å; Q801-A803 VanDerWaalsContact C-N 3.3Å; Q801-A803 PolarHBondContact O-N 3.24Å; A803-V805 PolarHBondContact O-N 2.82Å; A803-V806 PolarHBondContact O-N 2.9Å; A803-E807 WeakPolarHBondContact O-CG 3.33Å; A803-E807 PolarHBondContact O-N 3.43Å; A803-A832 HydrophobicContact CB-CB 4.07Å
804Q91.4Very high87.8Confident80 Ų8044.3 Ų44.337%0.37421%0.213SC..Hα-helixtrans-62.1-40.9178.6-71.6174.9-51.700112.6L774 L800 Q801 V806 E807 L808L774-Q804 HydrophobicContact CD1-CB 4Å; L774-Q804 HydrophobicContact CD2-CB 4.45Å; L800-Q804 WeakPolarHBondContact O-CG 3.5Å; L800-Q804 PolarHBondContact O-N 3.35Å; Q801-Q804 PolarHBondContact O-N 3.49Å; Q801-Q804 VanDerWaalsContact O-N 3.17Å; Q804-V806 VanDerWaalsContact C-N 3.35Å; Q804-V806 PolarHBondContact O-N 3.23Å; Q804-E807 PolarHBondContact O-N 3.04Å; Q804-L808 WeakPolarHBondContact O-CB 3.49Å; Q804-L808 PolarHBondContact O-N 2.79Å
805V93.9Very high87.4Confident4 Ų444.8 Ų44.82%0.02422%0.218CC..Hα-helixtrans-61.6-43.8175.2174.20000111F396 W677 L679 L770 L774 Q801 K802 A803 L808 V809F396-V805 HydrophobicContact CD1-CG1 4.45Å; F396-V805 HydrophobicContact CE1-CG1 3.99Å; W677-V805 HydrophobicContact CE3-CG1 3.95Å; W677-V805 HydrophobicContact CZ3-CG1 3.92Å; L679-V805 HydrophobicContact CD1-CB 4.22Å; L679-V805 HydrophobicContact CD1-CG1 4.22Å; L679-V805 HydrophobicContact CD2-CG1 4.16Å; L770-V805 HydrophobicContact CD1-CG2 4.16Å; L770-V805 HydrophobicContact CD2-CG2 3.95Å; L774-V805 HydrophobicContact CD1-CG2 4.34Å; L774-V805 HydrophobicContact CD2-CG2 4.26Å; Q801-V805 WeakPolarHBondContact O-CG2 3.46Å; Q801-V805 PolarHBondContact O-N 3.07Å; K802-V805 PolarHBondContact O-N 2.9Å; A803-V805 PolarHBondContact O-N 2.82Å; V805-L808 WeakPolarHBondContact O-CB 3.45Å; V805-L808 PolarHBondContact O-N 2.96Å; V805-V809 PolarHBondContact O-N 3.31Å
806V93.5Very high87.5Confident0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-63.5-44.1176.7178.10000111.4F396 L679 K802 A803 Q804 L808 K810 M829 A832 A833F396-V806 HydrophobicContact CB-CG2 4.07Å; F396-V806 HydrophobicContact CD1-CG2 4.04Å; F396-V806 HydrophobicContact CD2-CB 4.43Å; F396-V806 HydrophobicContact CD2-CG1 4.26Å; F396-V806 HydrophobicContact CD2-CG2 3.67Å; F396-V806 HydrophobicContact CE1-CG2 4.39Å; F396-V806 HydrophobicContact CE2-CB 4.41Å; F396-V806 HydrophobicContact CE2-CG1 4.2Å; F396-V806 HydrophobicContact CE2-CG2 4.07Å; F396-V806 HydrophobicContact CG-CG2 3.64Å; F396-V806 HydrophobicContact CZ-CG2 4.41Å; L679-V806 HydrophobicContact CD1-CG2 4.48Å; K802-V806 WeakPolarHBondContact O-CG2 3.31Å; K802-V806 PolarHBondContact O-N 3.26Å; A803-V806 PolarHBondContact O-N 2.9Å; Q804-V806 VanDerWaalsContact C-N 3.35Å; Q804-V806 PolarHBondContact O-N 3.23Å; V806-L808 VanDerWaalsContact C-N 3.34Å; V806-L808 PolarHBondContact O-N 3.26Å; V806-K810 WeakPolarHBondContact O-CB 3.34Å; V806-K810 PolarHBondContact O-N 2.71Å; V806-M829 HydrophobicContact CG2-CG 3.67Å; V806-A832 HydrophobicContact CB-CB 4.32Å; V806-A832 HydrophobicContact CG1-CB 4.21Å; V806-A833 HydrophobicContact CG1-CB 3.89Å
807E91.4Very high88.1Confident101 Ų10139.8 Ų39.847%0.47220%0.2SC..Hα-helixtrans-64.2-37.5177.8-73.4-170.7164.900112.2A803 Q804 K810 K811 A832A803-E807 WeakPolarHBondContact O-CG 3.33Å; A803-E807 PolarHBondContact O-N 3.43Å; Q804-E807 PolarHBondContact O-N 3.04Å; E807-K810 PolarHBondContact O-N 2.74Å; E807-K811 WeakPolarHBondContact O-CB 3.29Å; E807-K811 PolarHBondContact O-N 3.37Å; E807-A832 HydrophobicContact CG-CB 4.07Å
808L92.3Very high88.7Confident10 Ų1039.4 Ų39.45%0.05220%0.198CC..Hα-helixtrans-59.7-53.5177-178.469.6000111.4L774 E779 L782 L783 Q804 V805 V806 K810 K811 Y812L774-L808 HydrophobicContact CD2-CD2 4.08Å; E779-L808 HydrophobicContact CB-CD1 3.77Å; E779-L808 HydrophobicContact CG-CD1 4.12Å; L782-L808 HydrophobicContact CD2-CD2 4.24Å; L783-L808 HydrophobicContact CB-CD2 4.34Å; L783-L808 HydrophobicContact CD1-CG 4.4Å; Q804-L808 WeakPolarHBondContact O-CB 3.49Å; Q804-L808 PolarHBondContact O-N 2.79Å; V805-L808 WeakPolarHBondContact O-CB 3.45Å; V805-L808 PolarHBondContact O-N 2.96Å; V806-L808 VanDerWaalsContact C-N 3.34Å; V806-L808 PolarHBondContact O-N 3.26Å; L808-K810 PolarHBondContact O-N 2.91Å; L808-K811 PolarHBondContact O-N 3.26Å; L808-Y812 HydrophobicContact CD1-CD2 3.58Å; L808-Y812 HydrophobicContact CD1-CE2 3.55Å; L808-Y812 HydrophobicContact CG-CD2 4.37Å; L808-Y812 WeakPolarHBondContact O-CD2 3.21Å; L808-Y812 PolarHBondContact O-N 3.13Å; L808-Y812 VanDerWaalsContact O-N 3.15Å
809V92.3Very high89.5Confident0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-63.6-44.4179.4177.10000110.5Y394 F396 W677 L783 V805 K811 K813 T817Y394-V809 HydrophobicContact CD1-CG1 4.25Å; Y394-V809 HydrophobicContact CD2-CG1 3.84Å; Y394-V809 HydrophobicContact CE1-CG1 4.45Å; Y394-V809 HydrophobicContact CE2-CG1 4.06Å; Y394-V809 HydrophobicContact CG-CG1 3.95Å; F396-V809 HydrophobicContact CE1-CG2 4.28Å; F396-V809 HydrophobicContact CZ-CB 3.88Å; F396-V809 HydrophobicContact CZ-CG1 4.14Å; F396-V809 HydrophobicContact CZ-CG2 3.84Å; W677-V809 HydrophobicContact CE3-CG2 4.49Å; W677-V809 HydrophobicContact CH2-CG2 3.7Å; W677-V809 HydrophobicContact CZ3-CG2 3.66Å; L783-V809 HydrophobicContact CD1-CB 4.44Å; L783-V809 HydrophobicContact CD1-CG2 3.83Å; V805-V809 PolarHBondContact O-N 3.31Å; V809-K811 VanDerWaalsContact C-N 3.34Å; V809-K811 PolarHBondContact O-N 2.87Å; V809-K813 HydrophobicContact CG1-CB 4.33Å; V809-K813 HydrophobicContact CG1-CG 4.35Å; V809-K813 WeakPolarHBondContact O-CB 3.21Å; V809-K813 PolarHBondContact O-N 3.45Å; V809-T817 HydrophobicContact CG1-CG2 4.2Å
810K90.3Very high90.2Very high68 Ų6833.9 Ų33.930%0.29616%0.163SC..Hα-helixtrans-58.3-43.3177.5172.8166.2-176.9-179.40112.6V806 E807 L808 T817 A832 H834V806-K810 WeakPolarHBondContact O-CB 3.34Å; V806-K810 PolarHBondContact O-N 2.71Å; E807-K810 PolarHBondContact O-N 2.74Å; L808-K810 PolarHBondContact O-N 2.91Å; K810-T817 HydrophobicContact CB-CG2 4.44Å; K810-A832 PolarHBondContact NZ-O 3.28Å; K810-H834 WeakPolarHBondContact CE-NE2 3.1Å; K810-H834 VanDerWaalsContact CG-CE1 3.45Å; K810-H834 WeakPolarHBondContact CG-CE1 3.17Å
811K87.1Confident90.7Very high107 Ų10728.3 Ų28.347%0.46513%0.134SC..Hα-helixtrans-68.5-49.6-177.6-177.9-175.1174-159.30111.9E807 L808 V809 Q814E807-K811 WeakPolarHBondContact O-CB 3.29Å; E807-K811 PolarHBondContact O-N 3.37Å; L808-K811 PolarHBondContact O-N 3.26Å; V809-K811 VanDerWaalsContact C-N 3.34Å; V809-K811 PolarHBondContact O-N 2.87Å; K811-Q814 PolarHBondContact O-NE2 3.12Å
812Y86.7Confident90.7Very high8 Ų827.2 Ų27.23%0.03113%0.129CC..Hα-helixtrans-97.1-25.9-167.8-70.2-64.6000114.8E750 T751 V752 E779 L780 L783 L808E750-Y812 HydrophobicContact CB-CD1 4.26Å; E750-Y812 HydrophobicContact CB-CE1 4.15Å; T751-Y812 WeakPolarHBondContact CA-O 3.44Å; V752-Y812 PolarHBondContact N-O 2.67Å; V752-Y812 VanDerWaalsContact N-O 3.07Å; E779-Y812 HydrophobicContact CG-CE2 4.43Å; E779-Y812 WeakPolarHBondContact OE1-CE2 3.42Å; E779-Y812 PolarHBondContact OE1-OH 2.88Å; L780-Y812 HydrophobicContact CD2-CD1 3.95Å; L780-Y812 HydrophobicContact CD2-CD2 4.11Å; L780-Y812 HydrophobicContact CD2-CE1 3.79Å; L780-Y812 HydrophobicContact CD2-CE2 3.92Å; L780-Y812 HydrophobicContact CD2-CG 4.13Å; L783-Y812 HydrophobicContact CD2-CD2 4.06Å; L783-Y812 HydrophobicContact CD2-CG 3.98Å; L808-Y812 HydrophobicContact CD1-CD2 3.58Å; L808-Y812 HydrophobicContact CD1-CE2 3.55Å; L808-Y812 HydrophobicContact CG-CD2 4.37Å; L808-Y812 WeakPolarHBondContact O-CD2 3.21Å; L808-Y812 PolarHBondContact O-N 3.13Å; L808-Y812 VanDerWaalsContact O-N 3.15Å
813K84.8Confident90.1Very high28 Ų2827 Ų2712%0.12213%0.128CC..Hα-helixtrans-91.7-14.8176.6-66.6-64.6-175.5173.40113.7V752 Q753 D754 L783 C787 V809 A815V752-K813 WeakPolarHBondContact O-CD 3.17Å; V752-K813 PolarHBondContact O-NZ 3.07Å; Q753-K813 PolarHBondContact O-NZ 2.87Å; D754-K813 WeakPolarHBondContact OD1-CE 3.44Å; D754-K813 IonicContact OD1-NZ 3.88Å; D754-K813 PolarHBondContact OD1-NZ 2.87Å; L783-K813 HydrophobicContact CD1-CG 4.2Å; L783-K813 HydrophobicContact CD2-CG 4.42Å; C787-K813 WeakPolarHBondContact SG-CE 3.37Å; V809-K813 HydrophobicContact CG1-CB 4.33Å; V809-K813 HydrophobicContact CG1-CG 4.35Å; V809-K813 WeakPolarHBondContact O-CB 3.21Å; V809-K813 PolarHBondContact O-N 3.45Å; K813-A815 HydrophobicContact CB-CB 4.31Å; K813-A815 PolarHBondContact O-N 3.23Å
814Q81.4Confident89.2Confident116 Ų11627.3 Ų27.354%0.54213%0.131SC..  trans50.629.2-176.9-62.7-69.6-48.900112.8T751 K811T751-Q814 HydrophobicContact CG2-CG 3.63Å; K811-Q814 PolarHBondContact O-NE2 3.12Å
815A86.1Confident88.5Confident14 Ų1425.7 Ų25.712%0.11613%0.125CC..  trans-100.6151.7179.800000110.4K393 Y394 K813 T817 H834K393-A815 HydrophobicContact CB-CB 4.17Å; K393-A815 HydrophobicContact CD-CB 4.36Å; Y394-A815 HydrophobicContact CD2-CB 3.95Å; Y394-A815 HydrophobicContact CE2-CB 3.96Å; K813-A815 HydrophobicContact CB-CB 4.31Å; K813-A815 PolarHBondContact O-N 3.23Å; A815-T817 PolarHBondContact O-N 2.96Å; A815-H834 PolarHBondContact O-CE1 2.99Å; A815-H834 VanDerWaalsContact O-CE1 3.3Å
816I92.4Very high87.9Confident19 Ų1925.6 Ų25.610%0.09712%0.124CC..EExtended strand (participates in β ladder)trans-74130175.8-54.6-56.7000109.1E388 Q391 I392 K393 H834E388-I816 HydrophobicContact CB-CG2 4.46Å; Q391-I816 HydrophobicContact CB-CB 4.43Å; Q391-I816 HydrophobicContact CB-CG1 3.96Å; I392-I816 HydrophobicContact CG1-CG2 3.98Å; K393-I816 PolarHBondContact N-O 2.83Å; I816-H834 HydrophobicContact CG2-CB 4Å
817T95.4Very high87.4Confident0 Ų026.2 Ų26.20%013%0.128CC..EExtended strand (participates in β ladder)trans-117.5132.9-173.455.60000110Y394 F396 V809 K810 A815 H834 I835Y394-T817 WeakPolarHBondContact O-CA 3.19Å; F396-T817 HydrophobicContact CE2-CG2 3.75Å; F396-T817 HydrophobicContact CZ-CG2 4.47Å; V809-T817 HydrophobicContact CG1-CG2 4.2Å; K810-T817 HydrophobicContact CB-CG2 4.44Å; A815-T817 PolarHBondContact O-N 2.96Å; T817-H834 PolarHBondContact N-ND1 3.21Å; T817-H834 WeakPolarHBondContact O-CB 3.46Å; T817-H834 PolarHBondContact O-N 3.15Å; T817-H834 VanDerWaalsContact O-N 3.1Å; T817-H834 PolarHBondContact OG1-N 3.32Å; T817-H834 PolarHBondContact OG1-ND1 3.47Å; T817-I835 PolarHBondContact O-N 3.35Å; T817-I835 VanDerWaalsContact O-N 3.09Å
818L97Very high87Confident0 Ų023.3 Ų23.30%012%0.118CC..EExtended strand (participates in β ladder)trans-112136.8172.6-178.2150.5000109.2L389 I392 Y394 I395 F396 I820 I835 V837 L861 L865L389-L818 HydrophobicContact CD2-CD1 4.47Å; I392-L818 HydrophobicContact CD1-CB 3.97Å; I392-L818 HydrophobicContact CD1-CD1 3.47Å; I392-L818 VanDerWaalsContact CD1-CD1 3.47Å; I392-L818 HydrophobicContact CD1-CG 4.36Å; I392-L818 HydrophobicContact CG1-CB 4.18Å; I392-L818 HydrophobicContact CG2-CB 3.87Å; Y394-L818 PolarHBondContact O-N 2.78Å; I395-L818 CarbonylContact C-O 3.54Å; I395-L818 WeakPolarHBondContact CA-O 3.41Å; I395-L818 HydrophobicContact CG1-CB 4.31Å; I395-L818 HydrophobicContact CG1-CD2 4.27Å; I395-L818 HydrophobicContact CG2-CD2 4.01Å; F396-L818 PolarHBondContact N-O 3.06Å; L818-I820 HydrophobicContact CD2-CB 4.1Å; L818-I820 HydrophobicContact CD2-CG2 4.43Å; L818-I835 CarbonylContact C-O 3.52Å; L818-I835 WeakPolarHBondContact CA-O 3.4Å; L818-I835 HydrophobicContact CD1-CB 4.47Å; L818-I835 HydrophobicContact CD1-CG2 4.09Å; L818-I835 HydrophobicContact CG-CB 4.42Å; L818-I835 HydrophobicContact CG-CG2 4.34Å; L818-V837 HydrophobicContact CD1-CG2 3.78Å; L818-V837 HydrophobicContact CD2-CG2 4.05Å; L818-V837 HydrophobicContact CG-CG2 4.02Å; L818-L861 HydrophobicContact CD1-CD1 4.14Å; L818-L861 HydrophobicContact CD2-CD1 4.33Å; L818-L865 HydrophobicContact CD1-CD1 4.46Å; L818-L865 HydrophobicContact CD1-CD2 4.03Å
819A96.3Very high86.9Confident0 Ų022.8 Ų22.80%012%0.116CC..EExtended strand (participates in β ladder)trans-116.6135.317000000110F396 M829 I830 A833 I835 G836 V837F396-A819 HydrophobicContact CB-CB 4.48Å; F396-A819 CarbonylContact O-C 3.52Å; F396-A819 VanDerWaalsContact O-CA 3.28Å; F396-A819 WeakPolarHBondContact O-CA 3.4Å; A819-M829 HydrophobicContact CB-CE 4.21Å; A819-M829 HydrophobicContact CB-CG 3.78Å; A819-M829 HydrophobicContact CB-SD 4.39Å; A819-I830 HydrophobicContact CB-CG1 4.43Å; A819-A833 HydrophobicContact CB-CB 3.53Å; A819-I835 PolarHBondContact N-O 3.49Å; A819-G836 CarbonylContact O-C 3.59Å; A819-G836 WeakPolarHBondContact O-CA 3.23Å; A819-V837 PolarHBondContact O-N 3.45Å
820I95.8Very high86.7Confident0 Ų022.8 Ų22.80%012%0.116CC..EExtended strand (participates in β ladder)trans-128.2134.3178.4-171.5166.5000111I395 F396 D398 T402 L818 M829 V837 I839 F855 F858 L861I395-I820 HydrophobicContact CG2-CG2 4.19Å; F396-I820 PolarHBondContact O-N 2.54Å; D398-I820 PolarHBondContact N-O 2.89Å; T402-I820 HydrophobicContact CG2-CG1 4.19Å; T402-I820 HydrophobicContact CG2-CG2 4.22Å; L818-I820 HydrophobicContact CD2-CB 4.1Å; L818-I820 HydrophobicContact CD2-CG2 4.43Å; I820-M829 WeakPolarHBondContact O-CE 3.39Å; I820-V837 WeakPolarHBondContact CA-O 3.31Å; I820-V837 HydrophobicContact CB-CB 4.09Å; I820-V837 HydrophobicContact CD1-CB 4.16Å; I820-V837 HydrophobicContact CD1-CG1 3.72Å; I820-V837 HydrophobicContact CG1-CB 3.92Å; I820-V837 HydrophobicContact CG1-CG1 3.87Å; I820-I839 HydrophobicContact CD1-CD1 3.83Å; I820-I839 HydrophobicContact CD1-CG1 3.95Å; I820-I839 HydrophobicContact CG1-CD1 4.08Å; I820-I839 HydrophobicContact CG1-CG1 3.99Å; I820-F855 HydrophobicContact CD1-CE2 4.22Å; I820-F855 HydrophobicContact CD1-CZ 3.97Å; I820-F858 HydrophobicContact CD1-CD2 3.91Å; I820-F858 HydrophobicContact CD1-CE2 4.21Å; I820-F858 HydrophobicContact CG2-CE2 4.06Å; I820-L861 HydrophobicContact CD1-CD1 4.42Å; I820-L861 HydrophobicContact CD1-CD2 4.05Å
821G91.3Very high86.5Confident0 Ų022.1 Ų22.10%011%0.113CC..EExtended strand (participates in β ladder)trans-164.6166.1-179.100000111.6T402 D826 V837 G838 I839T402-G821 VanDerWaalsContact OG1-CA 3.3Å; T402-G821 WeakPolarHBondContact OG1-CA 3.49Å; G821-D826 WeakPolarHBondContact CA-OD2 3.21Å; G821-V837 PolarHBondContact N-O 3.04Å; G821-G838 CarbonylContact O-C 3.56Å; G821-G838 WeakPolarHBondContact O-CA 3.37Å; G821-I839 PolarHBondContact O-N 3.11Å
822D86.3Confident86.6Confident1 Ų117.5 Ų17.51%0.00510%0.095CC..SBendtrans-117.9-28176.669.8-48.1000113.1G401 T402 I839 E843 A847G401-D822 VanDerWaalsContact C-CG 3.44Å; G401-D822 WeakPolarHBondContact CA-OD2 3.44Å; T402-D822 PolarHBondContact OG1-N 3.41Å; T402-D822 PolarHBondContact OG1-OD1 3.08Å; D822-I839 WeakPolarHBondContact CA-O 3.36Å; D822-I839 HydrophobicContact CB-CB 3.93Å; D822-I839 HydrophobicContact CB-CG2 4.22Å; D822-I839 WeakPolarHBondContact CB-O 3.44Å; D822-E843 WeakPolarHBondContact OD2-CG 3.48Å; D822-A847 WeakPolarHBondContact O-CB 3.46Å
823G76.4Confident86.9Confident0 Ų017.1 Ų17.10%09%0.093CC..SBendtrans-90.2167.2-176.900000115.6N825 D826G823-N825 PolarHBondContact O-N 2.86Å; G823-D826 PolarHBondContact O-N 3.32Å
824A71.3Confident87.3Confident18 Ų1817.5 Ų17.515%0.14910%0.095CC..G310 helixtrans-62.8-29.1175.600000113.3E173 L174 D826 V827 Q846E173-A824 WeakPolarHBondContact O-CB 3.23Å; L174-A824 WeakPolarHBondContact O-CB 3.36Å; A824-D826 PolarHBondContact O-N 3.45Å; A824-D826 VanDerWaalsContact O-N 3.15Å; A824-V827 WeakPolarHBondContact O-CB 3.5Å; A824-V827 WeakPolarHBondContact O-CG2 3.47Å; A824-V827 PolarHBondContact O-N 3.11Å; A824-Q846 HydrophobicContact CB-CB 4.22Å
825N76Confident88Confident46 Ų4612 Ų1225%0.2467%0.069CC..G310 helixtrans-58.8-23.8174.9-74.6-20.1000113.9D175 P799 G823D175-N825 VanDerWaalsContact CA-OD1 3.25Å; D175-N825 WeakPolarHBondContact CA-OD1 3.34Å; D175-N825 VanDerWaalsContact O-CG 3.26Å; D175-N825 PolarHBondContact O-ND2 2.98Å; D175-N825 PolarHBondContact O-OD1 2.92Å; P799-N825 WeakPolarHBondContact CB-O 3.42Å; P799-N825 HydrophobicContact CG-CB 4.07Å; G823-N825 PolarHBondContact O-N 2.86Å
826D82.7Confident88.4Confident1 Ų111.3 Ų11.31%0.0056%0.064CC..G310 helixtrans-95.1-8.9-175.1-57.2-38.1000112.2D398 K802 G821 G823 A824 S828 M829 I830D398-D826 WeakPolarHBondContact CB-OD2 3.37Å; K802-D826 IonicContact NZ-OD1 3.92Å; K802-D826 PolarHBondContact NZ-OD1 3.44Å; G821-D826 WeakPolarHBondContact CA-OD2 3.21Å; G823-D826 PolarHBondContact O-N 3.32Å; A824-D826 PolarHBondContact O-N 3.45Å; A824-D826 VanDerWaalsContact O-N 3.15Å; D826-S828 VanDerWaalsContact C-N 3.27Å; D826-S828 PolarHBondContact O-N 3.49Å; D826-M829 HydrophobicContact CB-CE 4.02Å; D826-M829 WeakPolarHBondContact O-CA 3.38Å; D826-M829 WeakPolarHBondContact O-CB 3.32Å; D826-M829 PolarHBondContact O-N 3.44Å; D826-I830 HydrophobicContact CB-CD1 4.2Å; D826-I830 WeakPolarHBondContact O-CB 3.45Å; D826-I830 VanDerWaalsContact O-CG1 3.28Å; D826-I830 WeakPolarHBondContact O-CG1 3.48Å; D826-I830 PolarHBondContact O-N 2.86Å
827V81.6Confident88.5Confident14 Ų1410.4 Ų10.49%0.0856%0.059CC..Hα-helixtrans-59.5-38.8-177.1171.70000111.6A824 K831 Q846A824-V827 WeakPolarHBondContact O-CB 3.5Å; A824-V827 WeakPolarHBondContact O-CG2 3.47Å; A824-V827 PolarHBondContact O-N 3.11Å; V827-K831 HydrophobicContact CG1-CD 3.87Å; V827-K831 HydrophobicContact CG1-CG 4.49Å; V827-K831 WeakPolarHBondContact O-CB 3.25Å; V827-K831 VanDerWaalsContact O-CG 3.24Å; V827-K831 WeakPolarHBondContact O-CG 3.5Å; V827-K831 PolarHBondContact O-N 3.12Å; V827-Q846 HydrophobicContact CG2-CB 4.47Å
828S83.6Confident88.4Confident39 Ų3910.4 Ų10.427%0.2736%0.059SC..Hα-helixtrans-63.4-44.4175.454.10000111.5P799 D826 K831 A832P799-S828 PolarHBondContact O-OG 2.9Å; D826-S828 VanDerWaalsContact C-N 3.27Å; D826-S828 PolarHBondContact O-N 3.49Å; S828-K831 PolarHBondContact O-N 3.28Å; S828-A832 WeakPolarHBondContact O-CB 3.47Å; S828-A832 PolarHBondContact O-N 3.43Å
829M89.4Confident88Confident0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-63.4-48177.4-172.2-174.958.600111.5F396 L679 K802 V806 A819 I820 D826 K831 A832 A833F396-M829 HydrophobicContact CB-SD 3.96Å; L679-M829 HydrophobicContact CB-SD 4.4Å; L679-M829 HydrophobicContact CD1-SD 3.85Å; K802-M829 HydrophobicContact CB-CB 4.02Å; K802-M829 HydrophobicContact CB-CG 4.21Å; K802-M829 HydrophobicContact CB-SD 4.21Å; K802-M829 HydrophobicContact CD-SD 4.26Å; V806-M829 HydrophobicContact CG2-CG 3.67Å; A819-M829 HydrophobicContact CB-CE 4.21Å; A819-M829 HydrophobicContact CB-CG 3.78Å; A819-M829 HydrophobicContact CB-SD 4.39Å; I820-M829 WeakPolarHBondContact O-CE 3.39Å; D826-M829 HydrophobicContact CB-CE 4.02Å; D826-M829 WeakPolarHBondContact O-CA 3.38Å; D826-M829 WeakPolarHBondContact O-CB 3.32Å; D826-M829 PolarHBondContact O-N 3.44Å; M829-K831 VanDerWaalsContact C-N 3.32Å; M829-K831 PolarHBondContact O-N 2.94Å; M829-A832 PolarHBondContact O-N 3.3Å; M829-A833 PolarHBondContact O-N 2.96Å; M829-A833 VanDerWaalsContact O-N 3.07Å
830I89.8Confident87.3Confident0 Ų011.8 Ų11.80%07%0.069CC..Hα-helixtrans-58.8-41.1176.4-71.6172.9000111.2K272 A819 D826 A847K272-I830 PolarHBondContact NZ-O 3.44Å; A819-I830 HydrophobicContact CB-CG1 4.43Å; D826-I830 HydrophobicContact CB-CD1 4.2Å; D826-I830 WeakPolarHBondContact O-CB 3.45Å; D826-I830 VanDerWaalsContact O-CG1 3.28Å; D826-I830 WeakPolarHBondContact O-CG1 3.48Å; D826-I830 PolarHBondContact O-N 2.86Å; I830-A847 HydrophobicContact CD1-CB 3.96Å
831K86.3Confident86Confident54 Ų5413.2 Ų13.224%0.2358%0.083CC..Hα-helixtrans-73.2-32.3177.7-75.3173.6180160.60113.1S266 V827 S828 M829S266-K831 PolarHBondContact O-NZ 2.92Å; V827-K831 HydrophobicContact CG1-CD 3.87Å; V827-K831 HydrophobicContact CG1-CG 4.49Å; V827-K831 WeakPolarHBondContact O-CB 3.25Å; V827-K831 VanDerWaalsContact O-CG 3.24Å; V827-K831 WeakPolarHBondContact O-CG 3.5Å; V827-K831 PolarHBondContact O-N 3.12Å; S828-K831 PolarHBondContact O-N 3.28Å; M829-K831 VanDerWaalsContact C-N 3.32Å; M829-K831 PolarHBondContact O-N 2.94Å
832A89.2Confident84.5Confident10 Ų1020.5 Ų20.58%0.08312%0.117CC..Hα-helixtrans-72.7-37.9178.900000112.9A803 V806 E807 K810 S828 M829A803-A832 HydrophobicContact CB-CB 4.07Å; V806-A832 HydrophobicContact CB-CB 4.32Å; V806-A832 HydrophobicContact CG1-CB 4.21Å; E807-A832 HydrophobicContact CG-CB 4.07Å; K810-A832 PolarHBondContact NZ-O 3.28Å; S828-A832 WeakPolarHBondContact O-CB 3.47Å; S828-A832 PolarHBondContact O-N 3.43Å; M829-A832 PolarHBondContact O-N 3.3Å
833A92.7Very high83.2Confident0 Ų021 Ų210%012%0.12CC..SBendtrans-63.3159.1179.500000113.3K272 V806 A819 M829 I835K272-A833 WeakPolarHBondContact CE-O 3.21Å; K272-A833 PolarHBondContact NZ-O 2.85Å; K272-A833 VanDerWaalsContact NZ-O 3.09Å; V806-A833 HydrophobicContact CG1-CB 3.89Å; A819-A833 HydrophobicContact CB-CB 3.53Å; M829-A833 PolarHBondContact O-N 2.96Å; M829-A833 VanDerWaalsContact O-N 3.07Å; A833-I835 VanDerWaalsContact C-N 3.3Å; A833-I835 WeakPolarHBondContact CB-O 3.46Å
834H93.3Very high82.5Confident35 Ų3522 Ų2216%0.16213%0.13CC..SBendtrans-64.5-39.5170.4-65.397.4000111K272 K810 A815 I816 T817K272-H834 WeakPolarHBondContact CD-O 3.16Å; K810-H834 WeakPolarHBondContact CE-NE2 3.1Å; K810-H834 VanDerWaalsContact CG-CE1 3.45Å; K810-H834 WeakPolarHBondContact CG-CE1 3.17Å; A815-H834 PolarHBondContact O-CE1 2.99Å; A815-H834 VanDerWaalsContact O-CE1 3.3Å; I816-H834 HydrophobicContact CG2-CB 4Å; T817-H834 PolarHBondContact N-ND1 3.21Å; T817-H834 WeakPolarHBondContact O-CB 3.46Å; T817-H834 PolarHBondContact O-N 3.15Å; T817-H834 VanDerWaalsContact O-N 3.1Å; T817-H834 PolarHBondContact OG1-N 3.32Å; T817-H834 PolarHBondContact OG1-ND1 3.47Å
835I94.9Very high82.4Confident0 Ų026.5 Ų26.50%015%0.149CC..EExtended strand (participates in β ladder)trans-127.1130.6176.4-60.6176000108.9E388 L389 I392 T817 L818 A819 A833 V837 F853E388-I835 HydrophobicContact CB-CD1 3.71Å; E388-I835 HydrophobicContact CB-CG1 4.39Å; L389-I835 HydrophobicContact CD2-CD1 3.77Å; L389-I835 HydrophobicContact CD2-CG2 4Å; L389-I835 HydrophobicContact CG-CD1 4.07Å; I392-I835 HydrophobicContact CD1-CD1 4.04Å; I392-I835 HydrophobicContact CG1-CD1 4.25Å; T817-I835 PolarHBondContact O-N 3.35Å; T817-I835 VanDerWaalsContact O-N 3.09Å; L818-I835 CarbonylContact C-O 3.52Å; L818-I835 WeakPolarHBondContact CA-O 3.4Å; L818-I835 HydrophobicContact CD1-CB 4.47Å; L818-I835 HydrophobicContact CD1-CG2 4.09Å; L818-I835 HydrophobicContact CG-CB 4.42Å; L818-I835 HydrophobicContact CG-CG2 4.34Å; A819-I835 PolarHBondContact N-O 3.49Å; A833-I835 VanDerWaalsContact C-N 3.3Å; A833-I835 WeakPolarHBondContact CB-O 3.46Å; I835-V837 HydrophobicContact CG2-CG2 4.36Å; I835-F853 HydrophobicContact CG2-CD2 3.81Å; I835-F853 HydrophobicContact CG2-CE2 3.92Å
836G94.1Very high82.1Confident0 Ų026.4 Ų26.40%015%0.148CC..EExtended strand (participates in β ladder)trans-109.2129.1174.400000111.5A819 D852 F853A819-G836 CarbonylContact O-C 3.59Å; A819-G836 WeakPolarHBondContact O-CA 3.23Å; G836-D852 PolarHBondContact N-OD2 2.9Å; G836-D852 WeakPolarHBondContact O-CA 3.28Å; G836-D852 WeakPolarHBondContact O-CB 3.46Å; G836-D852 PolarHBondContact O-N 2.74Å; G836-F853 PolarHBondContact O-N 3.46Å; G836-F853 VanDerWaalsContact O-N 3.16Å
837V95.4Very high81.7Confident0 Ų026.4 Ų26.40%015%0.147CC..EExtended strand (participates in β ladder)trans-116.1127176.5-178.80000109.8L818 A819 I820 G821 I835 F853 F855L818-V837 HydrophobicContact CD1-CG2 3.78Å; L818-V837 HydrophobicContact CD2-CG2 4.05Å; L818-V837 HydrophobicContact CG-CG2 4.02Å; A819-V837 PolarHBondContact O-N 3.45Å; I820-V837 WeakPolarHBondContact CA-O 3.31Å; I820-V837 HydrophobicContact CB-CB 4.09Å; I820-V837 HydrophobicContact CD1-CB 4.16Å; I820-V837 HydrophobicContact CD1-CG1 3.72Å; I820-V837 HydrophobicContact CG1-CB 3.92Å; I820-V837 HydrophobicContact CG1-CG1 3.87Å; G821-V837 PolarHBondContact N-O 3.04Å; I835-V837 HydrophobicContact CG2-CG2 4.36Å; V837-F853 CarbonylContact C-O 3.53Å; V837-F853 VanDerWaalsContact CA-O 3.24Å; V837-F853 WeakPolarHBondContact CA-O 3.29Å; V837-F853 HydrophobicContact CG2-CB 4.38Å; V837-F855 HydrophobicContact CG1-CD1 4.16Å; V837-F855 HydrophobicContact CG1-CE1 3.33Å; V837-F855 HydrophobicContact CG1-CE2 4.25Å; V837-F855 HydrophobicContact CG1-CZ 3.41Å; V837-F855 VanDerWaalsContact CG1-CZ 3.41Å
838G92.3Very high81.6Confident0 Ų026 Ų260%015%0.145CC..EExtended strand (participates in β ladder)trans-103.9124.4177.100000111.3G821 S851 F853 S854 F855G821-G838 CarbonylContact O-C 3.56Å; G821-G838 WeakPolarHBondContact O-CA 3.37Å; G838-S851 PolarHBondContact N-OG 3.34Å; G838-F853 PolarHBondContact N-O 3.49Å; G838-S854 WeakPolarHBondContact O-CA 3.46Å; G838-S854 WeakPolarHBondContact O-CB 3.33Å; G838-F855 PolarHBondContact O-N 3.46Å; G838-F855 VanDerWaalsContact O-N 3.17Å
839I90.4Very high81.2Confident0 Ų027.9 Ų27.90%015%0.152CC..EExtended strand (participates in β ladder)trans-86.4132.4169.9-68.1-174000109.4T402 I820 G821 D822 G841 V848 F855 F858T402-I839 HydrophobicContact CG2-CD1 3.78Å; I820-I839 HydrophobicContact CD1-CD1 3.83Å; I820-I839 HydrophobicContact CD1-CG1 3.95Å; I820-I839 HydrophobicContact CG1-CD1 4.08Å; I820-I839 HydrophobicContact CG1-CG1 3.99Å; G821-I839 PolarHBondContact O-N 3.11Å; D822-I839 WeakPolarHBondContact CA-O 3.36Å; D822-I839 HydrophobicContact CB-CB 3.93Å; D822-I839 HydrophobicContact CB-CG2 4.22Å; D822-I839 WeakPolarHBondContact CB-O 3.44Å; I839-G841 PolarHBondContact O-N 3.5Å; I839-V848 WeakPolarHBondContact O-CG2 3.32Å; I839-F855 CarbonylContact C-O 3.47Å; I839-F855 VanDerWaalsContact CA-O 3.29Å; I839-F855 WeakPolarHBondContact CA-O 3.35Å; I839-F855 HydrophobicContact CG1-CE2 4.21Å; I839-F858 HydrophobicContact CD1-CB 3.99Å; I839-F858 HydrophobicContact CD1-CD2 4.27Å
840S81.1Confident80.4Confident30 Ų3029.7 Ų29.721%0.2116%0.164CC..  trans-79.575.4173.3-172.50000109.9F855S840-F855 PolarHBondContact N-O 2.72Å
841G68.1Low80.3Confident29 Ų2929.9 Ų29.930%0.29917%0.165SC..  trans-91.7-164.7-178.300000114.4I839I839-G841 PolarHBondContact O-N 3.5Å
842Q59.5Low80.5Confident153 Ų15327.8 Ų27.872%0.71516%0.157SC*.SBendtrans-86.9-15.5175.2-63.4-150.83.300113.2G844Q842-G844 PolarHBondContact O-N 3.46Å; Q842-G844 VanDerWaalsContact O-N 3.1Å
843E58.2Low80.7Confident13 Ų1327.4 Ų27.46%0.06115%0.153CC..SBendtrans-77.713.6-177.9-59.7-169.2-179.700114.2A172 G176 T178 T400 D822A172-E843 CarbonylContact C-O 3.48Å; G176-E843 WeakPolarHBondContact O-CG 3.26Å; T178-E843 HydrophobicContact CG2-CG 4.42Å; T400-E843 WeakPolarHBondContact CG2-OE1 3.5Å; D822-E843 WeakPolarHBondContact OD2-CG 3.48Å
844G63.3Low80.6Confident21 Ų2127.7 Ų27.722%0.21616%0.155CC..  trans102.6-176.7177.700000114.4Q842Q842-G844 PolarHBondContact O-N 3.46Å; Q842-G844 VanDerWaalsContact O-N 3.1Å
845M68.8Low80.7Confident111 Ų11126.1 Ų26.155%0.54715%0.148SC..SBendtrans-101.91.5-174.3-64.3-172.775.600114.3A847 V848 L849M845-A847 PolarHBondContact O-N 3.08Å; M845-V848 WeakPolarHBondContact O-CB 3.48Å; M845-V848 PolarHBondContact O-N 3.34Å; M845-L849 HydrophobicContact CB-CD1 4.31Å; M845-L849 HydrophobicContact CB-CG 4.43Å; M845-L849 WeakPolarHBondContact O-CB 3.28Å; M845-L849 VanDerWaalsContact O-CG 3.25Å; M845-L849 WeakPolarHBondContact O-CG 3.45Å; M845-L849 PolarHBondContact O-N 3.35Å
846Q69.7Low80.5Confident45 Ų4526.5 Ų26.521%0.2115%0.151CC..Hα-helixtrans-65.6-41.2-170.3-70.5-63.1-23.100113.4E173 A824 V827 L849 S850E173-Q846 HydrophobicContact CB-CG 4.23Å; A824-Q846 HydrophobicContact CB-CB 4.22Å; V827-Q846 HydrophobicContact CG2-CB 4.47Å; Q846-L849 PolarHBondContact O-N 3.49Å; Q846-S850 WeakPolarHBondContact O-CB 3.09Å; Q846-S850 PolarHBondContact O-N 2.97Å; Q846-S850 PolarHBondContact O-OG 3.06Å
847A74.6Confident80.3Confident0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-62.2-46.2174.300000111D822 I830 M845 L849 S850 S851D822-A847 WeakPolarHBondContact O-CB 3.46Å; I830-A847 HydrophobicContact CD1-CB 3.96Å; M845-A847 PolarHBondContact O-N 3.08Å; A847-L849 PolarHBondContact O-N 3.16Å; A847-S850 CarbonylContact O-C 3.6Å; A847-S850 PolarHBondContact O-N 3.41Å; A847-S851 WeakPolarHBondContact O-CB 3.45Å; A847-S851 PolarHBondContact O-N 2.78Å; A847-S851 PolarHBondContact O-OG 2.96Å
848V79.4Confident80.3Confident6 Ų626.9 Ų26.94%0.03615%0.153CC..Hα-helixtrans-57-47.6176.7171.40000111.3R381 I839 M845 S850 S851R381-V848 WeakPolarHBondContact CD-O 3.47Å; R381-V848 PolarHBondContact NE-O 3.3Å; I839-V848 WeakPolarHBondContact O-CG2 3.32Å; M845-V848 WeakPolarHBondContact O-CB 3.48Å; M845-V848 PolarHBondContact O-N 3.34Å; V848-S850 VanDerWaalsContact C-N 3.28Å; V848-S850 PolarHBondContact O-N 3.11Å; V848-S851 PolarHBondContact O-N 3.48Å; V848-S851 PolarHBondContact O-OG 3.47Å
849L74.4Confident80.3Confident79 Ų7929.9 Ų29.941%0.41416%0.164SC..Hα-helixtrans-64.8-31.8-179.8-69.6170.9000113M845 Q846 A847M845-L849 HydrophobicContact CB-CD1 4.31Å; M845-L849 HydrophobicContact CB-CG 4.43Å; M845-L849 WeakPolarHBondContact O-CB 3.28Å; M845-L849 VanDerWaalsContact O-CG 3.25Å; M845-L849 WeakPolarHBondContact O-CG 3.45Å; M845-L849 PolarHBondContact O-N 3.35Å; Q846-L849 PolarHBondContact O-N 3.49Å; A847-L849 PolarHBondContact O-N 3.16Å
850S73.8Confident80.6Confident37 Ų3730.3 Ų30.326%0.25917%0.166SC..Hα-helixtrans-93.3-4.7-179.5-680000114.5Q846 A847 V848Q846-S850 WeakPolarHBondContact O-CB 3.09Å; Q846-S850 PolarHBondContact O-N 2.97Å; Q846-S850 PolarHBondContact O-OG 3.06Å; A847-S850 CarbonylContact O-C 3.6Å; A847-S850 PolarHBondContact O-N 3.41Å; V848-S850 VanDerWaalsContact C-N 3.28Å; V848-S850 PolarHBondContact O-N 3.11Å
851S86.5Confident81.2Confident4 Ų428.9 Ų28.93%0.02816%0.156CC..  trans-89.3157.9-17667.40000113.7R381 G838 A847 V848 F853R381-S851 WeakPolarHBondContact CD-O 3.29Å; G838-S851 PolarHBondContact N-OG 3.34Å; A847-S851 WeakPolarHBondContact O-CB 3.45Å; A847-S851 PolarHBondContact O-N 2.78Å; A847-S851 PolarHBondContact O-OG 2.96Å; V848-S851 PolarHBondContact O-N 3.48Å; V848-S851 PolarHBondContact O-OG 3.47Å; S851-F853 WeakPolarHBondContact CB-O 3.39Å; S851-F853 PolarHBondContact OG-O 2.91Å; S851-F853 VanDerWaalsContact OG-O 3.1Å
852D89.8Confident82.5Confident11 Ų1129.5 Ų29.56%0.05915%0.151CC..SBendtrans-81.5-38.3175.2-61.2-59.3000111.5K272 R381 T382 L385 G836K272-D852 WeakPolarHBondContact CD-OD2 3.31Å; K272-D852 IonicContact NZ-OD2 2.97Å; K272-D852 PolarHBondContact NZ-OD2 3.27Å; R381-D852 WeakPolarHBondContact CA-O 3.38Å; R381-D852 WeakPolarHBondContact CB-O 3.33Å; R381-D852 PolarHBondContact N-O 2.97Å; T382-D852 WeakPolarHBondContact CB-OD1 3.01Å; T382-D852 PolarHBondContact N-O 3.45Å; T382-D852 PolarHBondContact OG1-OD1 3.33Å; L385-D852 HydrophobicContact CD1-CB 3.89Å; L385-D852 VanDerWaalsContact CD1-CG 3.4Å; L385-D852 WeakPolarHBondContact CD1-OD1 3.12Å; G836-D852 PolarHBondContact N-OD2 2.9Å; G836-D852 WeakPolarHBondContact O-CA 3.28Å; G836-D852 WeakPolarHBondContact O-CB 3.46Å; G836-D852 PolarHBondContact O-N 2.74Å
853F93.4Very high84.2Confident1 Ų123.5 Ų23.50%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-127143.4173.6-59.7-87.9000109.5I363 Q379 A380 L385 N386 L389 I835 G836 V837 G838 S851 L864I363-F853 HydrophobicContact CD1-CD1 4.43Å; I363-F853 HydrophobicContact CD1-CE1 3.84Å; Q379-F853 CarbonylContact O-C 3.26Å; Q379-F853 WeakPolarHBondContact O-CA 3.33Å; A380-F853 HydrophobicContact CB-CD1 3.69Å; A380-F853 HydrophobicContact CB-CE1 3.6Å; L385-F853 HydrophobicContact CB-CE2 4.26Å; L385-F853 HydrophobicContact CB-CZ 4.47Å; N386-F853 VanDerWaalsContact OD1-CE1 3.3Å; N386-F853 WeakPolarHBondContact OD1-CE1 3.44Å; N386-F853 WeakPolarHBondContact OD1-CZ 3.37Å; L389-F853 HydrophobicContact CD1-CE1 3.86Å; L389-F853 HydrophobicContact CD1-CE2 3.92Å; L389-F853 HydrophobicContact CD1-CZ 3.53Å; L389-F853 HydrophobicContact CD2-CD2 4.17Å; L389-F853 HydrophobicContact CD2-CE2 3.88Å; L389-F853 HydrophobicContact CD2-CZ 4.37Å; L389-F853 HydrophobicContact CG-CE2 4Å; L389-F853 HydrophobicContact CG-CZ 4.04Å; I835-F853 HydrophobicContact CG2-CD2 3.81Å; I835-F853 HydrophobicContact CG2-CE2 3.92Å; G836-F853 PolarHBondContact O-N 3.46Å; G836-F853 VanDerWaalsContact O-N 3.16Å; V837-F853 CarbonylContact C-O 3.53Å; V837-F853 VanDerWaalsContact CA-O 3.24Å; V837-F853 WeakPolarHBondContact CA-O 3.29Å; V837-F853 HydrophobicContact CG2-CB 4.38Å; G838-F853 PolarHBondContact N-O 3.49Å; S851-F853 WeakPolarHBondContact CB-O 3.39Å; S851-F853 PolarHBondContact OG-O 2.91Å; S851-F853 VanDerWaalsContact OG-O 3.1Å; F853-L864 HydrophobicContact CB-CD2 4.19Å; F853-L864 HydrophobicContact CD1-CD1 4.33Å; F853-L864 HydrophobicContact CG-CD2 4.26Å
854S92.3Very high86Confident6 Ų623 Ų234%0.04212%0.119CC..EExtended strand (participates in β ladder)trans-137.7141.4177.156.50000112.4A378 Q379 G838A378-S854 CarbonylContact C-O 3.52Å; A378-S854 WeakPolarHBondContact CA-O 3.28Å; Q379-S854 PolarHBondContact N-O 3Å; Q379-S854 PolarHBondContact O-N 3.07Å; G838-S854 WeakPolarHBondContact O-CA 3.46Å; G838-S854 WeakPolarHBondContact O-CB 3.33Å
855F93.8Very high87.6Confident3 Ų322 Ų221%0.01311%0.109CC..EExtended strand (participates in β ladder)trans-157.4169.7176.249.9-106.3000110.6A378 I820 V837 G838 I839 S840 Q857 Y860 L861 L864A378-F855 HydrophobicContact CB-CB 4.14Å; I820-F855 HydrophobicContact CD1-CE2 4.22Å; I820-F855 HydrophobicContact CD1-CZ 3.97Å; V837-F855 HydrophobicContact CG1-CD1 4.16Å; V837-F855 HydrophobicContact CG1-CE1 3.33Å; V837-F855 HydrophobicContact CG1-CE2 4.25Å; V837-F855 HydrophobicContact CG1-CZ 3.41Å; V837-F855 VanDerWaalsContact CG1-CZ 3.41Å; G838-F855 PolarHBondContact O-N 3.46Å; G838-F855 VanDerWaalsContact O-N 3.17Å; I839-F855 CarbonylContact C-O 3.47Å; I839-F855 VanDerWaalsContact CA-O 3.29Å; I839-F855 WeakPolarHBondContact CA-O 3.35Å; I839-F855 HydrophobicContact CG1-CE2 4.21Å; S840-F855 PolarHBondContact N-O 2.72Å; F855-Q857 WeakPolarHBondContact CD2-O 3.13Å; F855-Q857 WeakPolarHBondContact CE2-O 3.24Å; F855-Y860 HydrophobicContact CB-CD2 4.13Å; F855-Y860 HydrophobicContact CD2-CD2 4.17Å; F855-Y860 HydrophobicContact CG-CD2 4.38Å; F855-L861 HydrophobicContact CZ-CB 4.06Å; F855-L861 HydrophobicContact CZ-CD1 4.21Å; F855-L864 HydrophobicContact CD1-CD2 4.48Å; F855-L864 HydrophobicContact CE1-CD2 3.79Å
856A90.6Very high88.8Confident7 Ų716.7 Ų16.76%0.0588%0.083CC..SBendtrans-83.5-26-169.800000116.2Y371 T376Y371-A856 VanDerWaalsContact CB-CB 3.46Å; Y371-A856 HydrophobicContact CD1-CB 3.54Å; Y371-A856 HydrophobicContact CE1-CB 4.42Å; Y371-A856 HydrophobicContact CG-CB 3.67Å; T376-A856 HydrophobicContact CG2-CB 4.11Å
857Q91.5Very high90Very high8 Ų814.6 Ų14.64%0.0377%0.073CC..  trans-138.3144.3-174.6-69.3-170.7-36.700112.6Y371 Q659 D660 F855 R859 Y860Y371-Q857 HydrophobicContact CD2-CG 4.13Å; Y371-Q857 VanDerWaalsContact CE2-CD 3.42Å; Y371-Q857 HydrophobicContact CE2-CG 4.01Å; Y371-Q857 VanDerWaalsContact CE2-NE2 3.28Å; Q659-Q857 VanDerWaalsContact OE1-CA 3.24Å; D660-Q857 PolarHBondContact OD2-NE2 3.33Å; F855-Q857 WeakPolarHBondContact CD2-O 3.13Å; F855-Q857 WeakPolarHBondContact CE2-O 3.24Å; Q857-R859 HydrophobicContact CB-CG 4.04Å; Q857-R859 PolarHBondContact O-N 3.26Å; Q857-R859 VanDerWaalsContact O-N 3.14Å; Q857-Y860 HydrophobicContact CB-CD2 4.27Å; Q857-Y860 HydrophobicContact CB-CE2 4.14Å; Q857-Y860 PolarHBondContact O-N 3.22Å; Q857-Y860 VanDerWaalsContact O-N 3.15Å
858F93.9Very high91Very high0 Ų015.1 Ų15.10%08%0.076CC..G310 helixtrans-54.7-34.2179.9-173.7-89.7000113.4T402 L403 V662 T665 I666 I820 I839 Y860 L861T402-F858 HydrophobicContact CG2-CD2 3.98Å; T402-F858 HydrophobicContact CG2-CE2 4.43Å; L403-F858 HydrophobicContact CD2-CD1 4.35Å; L403-F858 HydrophobicContact CD2-CD2 3.93Å; L403-F858 HydrophobicContact CD2-CE1 4.13Å; L403-F858 HydrophobicContact CD2-CE2 3.68Å; L403-F858 HydrophobicContact CD2-CG 4.26Å; L403-F858 HydrophobicContact CD2-CZ 3.79Å; V662-F858 HydrophobicContact CB-CD1 4.42Å; V662-F858 HydrophobicContact CG1-CD1 4.39Å; V662-F858 HydrophobicContact CG2-CB 3.9Å; V662-F858 HydrophobicContact CG2-CD1 3.87Å; V662-F858 HydrophobicContact CG2-CG 4.13Å; T665-F858 HydrophobicContact CG2-CD1 3.88Å; T665-F858 HydrophobicContact CG2-CE1 3.61Å; I666-F858 HydrophobicContact CG1-CE1 4.02Å; I666-F858 HydrophobicContact CG1-CZ 4.34Å; I820-F858 HydrophobicContact CD1-CD2 3.91Å; I820-F858 HydrophobicContact CD1-CE2 4.21Å; I820-F858 HydrophobicContact CG2-CE2 4.06Å; I839-F858 HydrophobicContact CD1-CB 3.99Å; I839-F858 HydrophobicContact CD1-CD2 4.27Å; F858-Y860 PolarHBondContact O-N 3.19Å; F858-L861 HydrophobicContact CE2-CD2 3.95Å; F858-L861 HydrophobicContact CZ-CD2 3.94Å; F858-L861 WeakPolarHBondContact O-CB 3.37Å; F858-L861 PolarHBondContact O-N 3.16Å
859R93.3Very high91.8Very high64 Ų6414.8 Ų14.824%0.2427%0.074CC..G310 helixtrans-59.4-17.6179.767.3173.2-166.8-158-3115.7D660 T665 Q857 Q862D660-R859 VanDerWaalsContact O-CB 3.29Å; D660-R859 WeakPolarHBondContact O-CB 3.3Å; D660-R859 WeakPolarHBondContact O-CD 3.4Å; T665-R859 WeakPolarHBondContact OG1-CA 3.4Å; Q857-R859 HydrophobicContact CB-CG 4.04Å; Q857-R859 PolarHBondContact O-N 3.26Å; Q857-R859 VanDerWaalsContact O-N 3.14Å; R859-Q862 WeakPolarHBondContact O-CG 3.29Å; R859-Q862 PolarHBondContact O-NE2 3.03Å
860Y95.6Very high92.7Very high9 Ų911.4 Ų11.44%0.0356%0.056CC..G310 helixtrans-77.3-15.3176.2-59-41.2000112K368 M369 Y370 F855 Q857 F858 Q862 R863 L864K368-Y860 WeakPolarHBondContact O-CE1 3.4Å; M369-Y860 HydrophobicContact CB-CD1 4.31Å; M369-Y860 HydrophobicContact CB-CG 4.22Å; M369-Y860 HydrophobicContact CG-CD1 4.3Å; M369-Y860 HydrophobicContact CG-CG 4.38Å; Y370-Y860 PolarHBondContact O-OH 3.23Å; F855-Y860 HydrophobicContact CB-CD2 4.13Å; F855-Y860 HydrophobicContact CD2-CD2 4.17Å; F855-Y860 HydrophobicContact CG-CD2 4.38Å; Q857-Y860 HydrophobicContact CB-CD2 4.27Å; Q857-Y860 HydrophobicContact CB-CE2 4.14Å; Q857-Y860 PolarHBondContact O-N 3.22Å; Q857-Y860 VanDerWaalsContact O-N 3.15Å; F858-Y860 PolarHBondContact O-N 3.19Å; Y860-Q862 PolarHBondContact O-N 3.27Å; Y860-R863 PolarHBondContact O-N 2.67Å; Y860-R863 VanDerWaalsContact O-N 3.1Å; Y860-L864 PolarHBondContact O-N 3.1Å
861L95.8Very high93.7Very high0 Ų010.7 Ų10.70%05%0.047CC..Hα-helixtrans-60-44.1177.7-170.962000112.4I395 T665 L669 L818 I820 F855 F858 R863 L864 L865I395-L861 HydrophobicContact CD1-CD2 4.13Å; I395-L861 HydrophobicContact CG2-CD2 4.5Å; T665-L861 HydrophobicContact CG2-CB 4.47Å; L669-L861 HydrophobicContact CD1-CD2 4.13Å; L669-L861 HydrophobicContact CD1-CG 4.39Å; L818-L861 HydrophobicContact CD1-CD1 4.14Å; L818-L861 HydrophobicContact CD2-CD1 4.33Å; I820-L861 HydrophobicContact CD1-CD1 4.42Å; I820-L861 HydrophobicContact CD1-CD2 4.05Å; F855-L861 HydrophobicContact CZ-CB 4.06Å; F855-L861 HydrophobicContact CZ-CD1 4.21Å; F858-L861 HydrophobicContact CE2-CD2 3.95Å; F858-L861 HydrophobicContact CZ-CD2 3.94Å; F858-L861 WeakPolarHBondContact O-CB 3.37Å; F858-L861 PolarHBondContact O-N 3.16Å; L861-R863 PolarHBondContact O-N 2.82Å; L861-L864 PolarHBondContact O-N 3.42Å; L861-L865 HydrophobicContact CD1-CD1 4.1Å; L861-L865 HydrophobicContact CD1-CD2 4.43Å; L861-L865 HydrophobicContact CD1-CG 4.06Å; L861-L865 HydrophobicContact CG-CD1 4.17Å; L861-L865 HydrophobicContact CG-CG 4.35Å; L861-L865 WeakPolarHBondContact O-CG 3.27Å; L861-L865 PolarHBondContact O-N 3.22Å
862Q94.6Very high94Very high41 Ų4110.6 Ų10.619%0.1925%0.046CC..Hα-helixtrans-57.4-37.6175.447.7169.62.500112.2T665 R859 Y860 L866 F942T665-Q862 HydrophobicContact CG2-CB 3.89Å; T665-Q862 HydrophobicContact CG2-CG 3.91Å; R859-Q862 WeakPolarHBondContact O-CG 3.29Å; R859-Q862 PolarHBondContact O-NE2 3.03Å; Y860-Q862 PolarHBondContact O-N 3.27Å; Q862-L866 HydrophobicContact CB-CD1 4.41Å; Q862-L866 WeakPolarHBondContact O-CB 3.43Å; Q862-L866 WeakPolarHBondContact O-CG 3.26Å; Q862-L866 PolarHBondContact O-N 3.02Å; Q862-F942 HydrophobicContact CB-CE1 4.08Å; Q862-F942 HydrophobicContact CG-CE1 4.12Å
863R95.3Very high94.2Very high27 Ų2710.2 Ų10.210%0.1024%0.044CC..Hα-helixtrans-76.2-40.8179.5-172.7167.2176.484.76111.5D366 M369 Y860 L861 L865 V867 H868 D938 F942D366-R863 IonicContact OD1-CZ 3.58Å; D366-R863 IonicContact OD1-NE 2.72Å; D366-R863 IonicContact OD1-NH2 2.7Å; D366-R863 PolarHBondContact OD1-NH2 2.7Å; D366-R863 IonicContact OD2-CZ 3.5Å; D366-R863 VanDerWaalsContact OD2-CZ 3.27Å; D366-R863 IonicContact OD2-NE 3.64Å; D366-R863 PolarHBondContact OD2-NE 2.53Å; D366-R863 IonicContact OD2-NH2 2.68Å; D366-R863 PolarHBondContact OD2-NH2 3.18Å; M369-R863 HydrophobicContact CG-CB 4.33Å; M369-R863 HydrophobicContact CG-CG 4.17Å; M369-R863 HydrophobicContact SD-CB 4.11Å; M369-R863 HydrophobicContact SD-CG 4.06Å; Y860-R863 PolarHBondContact O-N 2.67Å; Y860-R863 VanDerWaalsContact O-N 3.1Å; L861-R863 PolarHBondContact O-N 2.82Å; R863-L865 VanDerWaalsContact C-N 3.29Å; R863-L865 PolarHBondContact O-N 3.03Å; R863-V867 HydrophobicContact CG-CB 4.4Å; R863-V867 HydrophobicContact CG-CG2 4.33Å; R863-V867 VanDerWaalsContact O-CB 3.3Å; R863-V867 WeakPolarHBondContact O-CB 3.25Å; R863-V867 PolarHBondContact O-N 2.7Å; R863-H868 PolarHBondContact O-N 3.34Å; R863-D938 IonicContact CZ-OD2 2.85Å; R863-D938 IonicContact NH1-OD2 2.77Å; R863-D938 PolarHBondContact NH1-OD2 2.69Å; R863-D938 IonicContact NH2-OD2 3.54Å; R863-D938 PolarHBondContact NH2-OD2 3.09Å; R863-F942 HydrophobicContact CB-CZ 3.96Å; R863-F942 HydrophobicContact CG-CZ 4.2Å
864L96.4Very high94.1Very high2 Ų210.9 Ų10.91%0.015%0.048CC..Iπ-helixtrans-57.9-43.5175.1-178.364.4000111.2I363 M369 L389 F853 F855 Y860 L861 H868 G869I363-L864 HydrophobicContact CD1-CD1 4.02Å; I363-L864 HydrophobicContact CG1-CD1 4.33Å; I363-L864 HydrophobicContact CG2-CD1 4.16Å; M369-L864 HydrophobicContact SD-CB 4.42Å; L389-L864 HydrophobicContact CD1-CD1 3.73Å; L389-L864 HydrophobicContact CD1-CG 4.01Å; L389-L864 HydrophobicContact CD2-CD2 4.16Å; L389-L864 HydrophobicContact CD2-CG 4.22Å; F853-L864 HydrophobicContact CB-CD2 4.19Å; F853-L864 HydrophobicContact CD1-CD1 4.33Å; F853-L864 HydrophobicContact CG-CD2 4.26Å; F855-L864 HydrophobicContact CD1-CD2 4.48Å; F855-L864 HydrophobicContact CE1-CD2 3.79Å; Y860-L864 PolarHBondContact O-N 3.1Å; L861-L864 PolarHBondContact O-N 3.42Å; L864-H868 WeakPolarHBondContact O-CB 3.42Å; L864-G869 PolarHBondContact O-N 2.72Å
865L96Very high94.2Very high0 Ų011 Ų110%05%0.047CC..Iπ-helixtrans-83.6-59.3-176.3-58.4-168.9000112.8L389 I392 I395 L669 I674 L818 L861 R863 V867 G869 R870 Y948L389-L865 HydrophobicContact CB-CD2 4.22Å; L389-L865 HydrophobicContact CD2-CD2 3.7Å; I392-L865 HydrophobicContact CD1-CD1 4.12Å; I392-L865 HydrophobicContact CD1-CD2 3.38Å; I392-L865 HydrophobicContact CD1-CG 4.38Å; I395-L865 HydrophobicContact CD1-CD1 3.85Å; L669-L865 HydrophobicContact CD2-CB 4.45Å; L669-L865 HydrophobicContact CD2-CD1 3.99Å; I674-L865 HydrophobicContact CD1-CD1 4.39Å; L818-L865 HydrophobicContact CD1-CD1 4.46Å; L818-L865 HydrophobicContact CD1-CD2 4.03Å; L861-L865 HydrophobicContact CD1-CD1 4.1Å; L861-L865 HydrophobicContact CD1-CD2 4.43Å; L861-L865 HydrophobicContact CD1-CG 4.06Å; L861-L865 HydrophobicContact CG-CD1 4.17Å; L861-L865 HydrophobicContact CG-CG 4.35Å; L861-L865 WeakPolarHBondContact O-CG 3.27Å; L861-L865 PolarHBondContact O-N 3.22Å; R863-L865 VanDerWaalsContact C-N 3.29Å; R863-L865 PolarHBondContact O-N 3.03Å; L865-V867 VanDerWaalsContact C-N 3.28Å; L865-V867 PolarHBondContact O-N 3.48Å; L865-G869 PolarHBondContact O-N 2.97Å; L865-R870 PolarHBondContact O-N 3.25Å; L865-R870 VanDerWaalsContact O-N 3.1Å; L865-Y948 HydrophobicContact CB-CE2 4.34Å; L865-Y948 WeakPolarHBondContact O-CE2 3.23Å
866L95.1Very high94.1Very high1 Ų110.9 Ų10.91%0.0055%0.047CC..Iπ-helixtrans-69.9-26.5-170.1-58.3178.7000112.5Q668 A672 Q862 R870 S941 F942 P945 Y948Q668-L866 HydrophobicContact CB-CD1 4.32Å; A672-L866 HydrophobicContact CB-CD2 3.77Å; Q862-L866 HydrophobicContact CB-CD1 4.41Å; Q862-L866 WeakPolarHBondContact O-CB 3.43Å; Q862-L866 WeakPolarHBondContact O-CG 3.26Å; Q862-L866 PolarHBondContact O-N 3.02Å; L866-R870 VanDerWaalsContact O-CB 3.3Å; L866-R870 WeakPolarHBondContact O-CB 3.43Å; L866-R870 WeakPolarHBondContact O-CD 3.44Å; L866-R870 PolarHBondContact O-NE 3.45Å; L866-R870 VanDerWaalsContact O-NE 3.1Å; L866-S941 PolarHBondContact O-OG 3.23Å; L866-F942 HydrophobicContact CD1-CD1 4.19Å; L866-F942 HydrophobicContact CD1-CE1 4.41Å; L866-P945 HydrophobicContact CD1-CB 4.3Å; L866-P945 HydrophobicContact CD2-CB 4.47Å; L866-Y948 HydrophobicContact CD2-CD2 4.06Å; L866-Y948 HydrophobicContact CD2-CG 4.16Å
867V94.9Very high94.1Very high0 Ų010.6 Ų10.60%04%0.044CC..Iπ-helixtrans-104.2-70.8-179.8-175.30000110.6R863 L865 W871 D938 F942R863-V867 HydrophobicContact CG-CB 4.4Å; R863-V867 HydrophobicContact CG-CG2 4.33Å; R863-V867 VanDerWaalsContact O-CB 3.3Å; R863-V867 WeakPolarHBondContact O-CB 3.25Å; R863-V867 PolarHBondContact O-N 2.7Å; L865-V867 VanDerWaalsContact C-N 3.28Å; L865-V867 PolarHBondContact O-N 3.48Å; V867-W871 HydrophobicContact CG1-CD2 3.92Å; V867-W871 HydrophobicContact CG1-CE3 3.55Å; V867-W871 HydrophobicContact CG1-CH2 3.39Å; V867-W871 HydrophobicContact CG1-CZ2 3.75Å; V867-W871 HydrophobicContact CG1-CZ3 3.28Å; V867-W871 WeakPolarHBondContact O-CB 3.42Å; V867-W871 VanDerWaalsContact O-CG 3.24Å; V867-W871 PolarHBondContact O-N 3.48Å; V867-D938 HydrophobicContact CG1-CB 3.96Å; V867-D938 HydrophobicContact CG2-CB 4.1Å; V867-F942 HydrophobicContact CG2-CE2 3.9Å; V867-F942 HydrophobicContact CG2-CZ 3.93Å
868H95.6Very high94.1Very high11 Ų1111.6 Ų11.65%0.0515%0.048CC..Iπ-helixtrans-67.9-44.1-172-73.4-71.6000113.1I363 D366 M369 R863 L864 S872I363-H868 HydrophobicContact CD1-CB 4.37Å; I363-H868 HydrophobicContact CG1-CB 3.98Å; D366-H868 IonicContact OD2-CD2 2.69Å; D366-H868 IonicContact OD2-CE1 2.72Å; D366-H868 IonicContact OD2-NE2 3.87Å; D366-H868 PolarHBondContact OD2-NE2 2.97Å; M369-H868 VanDerWaalsContact CE-CD2 3.43Å; M369-H868 WeakPolarHBondContact CE-CD2 3.21Å; M369-H868 WeakPolarHBondContact CE-NE2 3.27Å; R863-H868 PolarHBondContact O-N 3.34Å; L864-H868 WeakPolarHBondContact O-CB 3.42Å; H868-S872 VanDerWaalsContact O-CB 3.23Å; H868-S872 WeakPolarHBondContact O-CB 3.44Å; H868-S872 PolarHBondContact O-N 2.84Å; H868-S872 PolarHBondContact O-OG 2.87Å
869G94.3Very high94Very high0 Ų011.6 Ų11.60%05%0.048CC..Iπ-helixtrans-65.3-47.8179.200000112.3L389 G390 L864 L865 S872 Y873L389-G869 VanDerWaalsContact CB-CA 3.4Å; G390-G869 VanDerWaalsContact CA-C 3.49Å; G390-G869 WeakPolarHBondContact CA-O 3.41Å; G390-G869 PolarHBondContact N-O 3.23Å; L864-G869 PolarHBondContact O-N 2.72Å; L865-G869 PolarHBondContact O-N 2.97Å; G869-S872 PolarHBondContact O-N 2.91Å; G869-Y873 WeakPolarHBondContact O-CB 3.32Å; G869-Y873 PolarHBondContact O-N 3.07Å
870R93.8Very high93.9Very high8 Ų88.6 Ų8.63%0.034%0.037CC..Hα-helixtrans-57.7-49.7175.3-167.7179.270.2787.3112.1L865 L866 Y873 L874 D935 S941 Y948L865-R870 PolarHBondContact O-N 3.25Å; L865-R870 VanDerWaalsContact O-N 3.1Å; L866-R870 VanDerWaalsContact O-CB 3.3Å; L866-R870 WeakPolarHBondContact O-CB 3.43Å; L866-R870 WeakPolarHBondContact O-CD 3.44Å; L866-R870 PolarHBondContact O-NE 3.45Å; L866-R870 VanDerWaalsContact O-NE 3.1Å; R870-Y873 PolarHBondContact O-N 3.42Å; R870-L874 HydrophobicContact CG-CD1 4.26Å; R870-L874 WeakPolarHBondContact O-CG 3.42Å; R870-L874 PolarHBondContact O-N 2.59Å; R870-D935 IonicContact CZ-OD1 2.72Å; R870-D935 IonicContact CZ-OD2 2.65Å; R870-D935 IonicContact NH1-OD1 3.08Å; R870-D935 PolarHBondContact NH1-OD1 3.04Å; R870-D935 IonicContact NH1-OD2 3.27Å; R870-D935 PolarHBondContact NH1-OD2 3.34Å; R870-D935 IonicContact NH2-OD1 3.13Å; R870-D935 PolarHBondContact NH2-OD1 2.8Å; R870-S941 PolarHBondContact NE-OG 3.01Å; R870-S941 PolarHBondContact NH2-OG 3.14Å; R870-Y948 HydrophobicContact CB-CD2 4.3Å
871W94.4Very high93.6Very high21 Ų2111.5 Ų11.58%0.085%0.051CC..Hα-helixtrans-62.8-43.7177.1-72.1-21.4000112.4V867 Y873 L874 R875 Q934 V936 D938V867-W871 HydrophobicContact CG1-CD2 3.92Å; V867-W871 HydrophobicContact CG1-CE3 3.55Å; V867-W871 HydrophobicContact CG1-CH2 3.39Å; V867-W871 HydrophobicContact CG1-CZ2 3.75Å; V867-W871 HydrophobicContact CG1-CZ3 3.28Å; V867-W871 WeakPolarHBondContact O-CB 3.42Å; V867-W871 VanDerWaalsContact O-CG 3.24Å; V867-W871 PolarHBondContact O-N 3.48Å; W871-Y873 VanDerWaalsContact C-N 3.33Å; W871-Y873 PolarHBondContact O-N 3.39Å; W871-L874 PolarHBondContact O-N 2.85Å; W871-R875 VanDerWaalsContact O-CB 3.29Å; W871-R875 WeakPolarHBondContact O-CB 3.26Å; W871-R875 WeakPolarHBondContact O-CD 3.49Å; W871-R875 WeakPolarHBondContact O-CG 3.34Å; W871-R875 PolarHBondContact O-N 3.34Å; W871-Q934 HydrophobicContact CD2-CG 4.49Å; W871-Q934 HydrophobicContact CZ2-CG 4.29Å; W871-V936 WeakPolarHBondContact CZ2-O 3.47Å; W871-V936 PolarHBondContact NE1-O 3.11Å; W871-D938 HydrophobicContact CH2-CB 4.16Å; W871-D938 HydrophobicContact CZ2-CB 4.45Å
872S94.1Very high93.4Very high2 Ų211.9 Ų11.91%0.0145%0.053CC..Hα-helixtrans-60.2-43.6178.7-62.80000111.6N386 H868 G869 M876N386-S872 VanDerWaalsContact O-CB 3.31Å; N386-S872 WeakPolarHBondContact O-CB 3.21Å; H868-S872 VanDerWaalsContact O-CB 3.23Å; H868-S872 WeakPolarHBondContact O-CB 3.44Å; H868-S872 PolarHBondContact O-N 2.84Å; H868-S872 PolarHBondContact O-OG 2.87Å; G869-S872 PolarHBondContact O-N 2.91Å; S872-M876 VanDerWaalsContact O-CB 3.29Å; S872-M876 WeakPolarHBondContact O-CB 3.48Å; S872-M876 PolarHBondContact O-N 3.3Å
873Y93.3Very high93.2Very high4 Ų49.9 Ų9.92%0.0164%0.043CC..Hα-helixtrans-63.1-49.1176179.3-107.7000112.5I276 E387 Q391 G869 R870 W871 M876 C877 G951 N954 Y956I276-Y873 HydrophobicContact CD1-CD2 4.11Å; I276-Y873 HydrophobicContact CD1-CE2 4.01Å; E387-Y873 WeakPolarHBondContact O-CB 3.27Å; Q391-Y873 HydrophobicContact CG-CD2 3.63Å; Q391-Y873 HydrophobicContact CG-CE2 3.66Å; Q391-Y873 HydrophobicContact CG-CG 4.27Å; Q391-Y873 VanDerWaalsContact NE2-CE2 3.34Å; G869-Y873 WeakPolarHBondContact O-CB 3.32Å; G869-Y873 PolarHBondContact O-N 3.07Å; R870-Y873 PolarHBondContact O-N 3.42Å; W871-Y873 VanDerWaalsContact C-N 3.33Å; W871-Y873 PolarHBondContact O-N 3.39Å; Y873-M876 PolarHBondContact O-N 3.4Å; Y873-C877 WeakPolarHBondContact CE2-SG 3.39Å; Y873-C877 WeakPolarHBondContact O-CB 3.35Å; Y873-C877 PolarHBondContact O-N 2.86Å; Y873-C877 PolarHBondContact O-SG 2.57Å; Y873-G951 VanDerWaalsContact CE1-CA 3.45Å; Y873-N954 WeakPolarHBondContact OH-CA 3.48Å; Y873-Y956 HydrophobicContact CD1-CD2 4.46Å; Y873-Y956 AromaticContact CE1-CD2 3.84Å; Y873-Y956 HydrophobicContact CE1-CD2 3.84Å
874L91.6Very high92.9Very high15 Ų158.8 Ų8.88%0.0794%0.039CC..Hα-helixtrans-60.9-48.1179.3-73.5172.8000112.2R870 W871 M876 C877 K878 D935 Y956R870-L874 HydrophobicContact CG-CD1 4.26Å; R870-L874 WeakPolarHBondContact O-CG 3.42Å; R870-L874 PolarHBondContact O-N 2.59Å; W871-L874 PolarHBondContact O-N 2.85Å; L874-M876 PolarHBondContact O-N 3.05Å; L874-C877 PolarHBondContact O-N 3.44Å; L874-K878 WeakPolarHBondContact O-CG 3.49Å; L874-K878 PolarHBondContact O-N 2.98Å; L874-D935 HydrophobicContact CD1-CB 4.38Å; L874-D935 VanDerWaalsContact CD1-OD2 3.24Å; L874-D935 WeakPolarHBondContact CD1-OD2 3.28Å; L874-Y956 HydrophobicContact CD2-CD1 4.32Å; L874-Y956 HydrophobicContact CD2-CD2 3.6Å; L874-Y956 HydrophobicContact CD2-CE1 4Å; L874-Y956 HydrophobicContact CD2-CE2 3.2Å; L874-Y956 HydrophobicContact CD2-CG 4.13Å; L874-Y956 VanDerWaalsContact CD2-CZ 3.43Å
875R93.4Very high92.7Very high9 Ų99.1 Ų9.13%0.0344%0.04CC..Hα-helixtrans-58.4-47.2177.8-73.8167.7-171.5168.83.2111.3N359 W871 F879 G930 L931 D933N359-R875 PolarHBondContact OD1-NH1 2.77Å; N359-R875 VanDerWaalsContact OD1-NH1 3.1Å; W871-R875 VanDerWaalsContact O-CB 3.29Å; W871-R875 WeakPolarHBondContact O-CB 3.26Å; W871-R875 WeakPolarHBondContact O-CD 3.49Å; W871-R875 WeakPolarHBondContact O-CG 3.34Å; W871-R875 PolarHBondContact O-N 3.34Å; R875-F879 WeakPolarHBondContact O-CB 3.26Å; R875-F879 PolarHBondContact O-N 2.94Å; R875-G930 WeakPolarHBondContact CB-O 3.32Å; R875-G930 WeakPolarHBondContact CD-O 3.37Å; R875-L931 VanDerWaalsContact CZ-O 3.27Å; R875-L931 PolarHBondContact NH1-O 3.43Å; R875-D933 PolarHBondContact NE-O 3.24Å; R875-D933 PolarHBondContact NH2-O 3.48Å; R875-D933 VanDerWaalsContact NH2-O 3.14Å
876M92.2Very high92.5Very high0 Ų09.1 Ų9.10%04%0.04CC..Hα-helixtrans-63.2-44.5178.8-172.760.37200111.6I276 V352 I355 R356 E387 S872 Y873 L874 F879 L880I276-M876 HydrophobicContact CD1-CG 4.34Å; V352-M876 HydrophobicContact CG1-CE 3.88Å; V352-M876 HydrophobicContact CG1-SD 4.13Å; V352-M876 HydrophobicContact CG2-SD 4.06Å; I355-M876 HydrophobicContact CB-CE 4.34Å; I355-M876 HydrophobicContact CG2-CE 3.93Å; R356-M876 HydrophobicContact CG-CE 3.97Å; E387-M876 HydrophobicContact CB-CB 4.07Å; E387-M876 HydrophobicContact CB-CG 4.33Å; E387-M876 HydrophobicContact CG-CG 4.3Å; S872-M876 VanDerWaalsContact O-CB 3.29Å; S872-M876 WeakPolarHBondContact O-CB 3.48Å; S872-M876 PolarHBondContact O-N 3.3Å; Y873-M876 PolarHBondContact O-N 3.4Å; L874-M876 PolarHBondContact O-N 3.05Å; M876-F879 WeakPolarHBondContact O-CB 3.39Å; M876-F879 PolarHBondContact O-N 3.1Å; M876-F879 HydrophobicContact SD-CD1 4.23Å; M876-L880 HydrophobicContact CG-CD1 4.18Å; M876-L880 VanDerWaalsContact O-CG 3.29Å; M876-L880 WeakPolarHBondContact O-CG 3.13Å; M876-L880 PolarHBondContact O-N 2.79Å; M876-L880 HydrophobicContact SD-CD1 4.5Å; M876-L880 HydrophobicContact SD-CG 4.36Å
877C90.9Very high92.3Very high1 Ų19.1 Ų9.11%0.0074%0.04CC..Hα-helixtrans-63.2-46.4179.4-68.60000112.2Y873 L874 L880 Q881 F957Y873-C877 WeakPolarHBondContact CE2-SG 3.39Å; Y873-C877 WeakPolarHBondContact O-CB 3.35Å; Y873-C877 PolarHBondContact O-N 2.86Å; Y873-C877 PolarHBondContact O-SG 2.57Å; L874-C877 PolarHBondContact O-N 3.44Å; C877-L880 PolarHBondContact O-N 3.07Å; C877-Q881 WeakPolarHBondContact O-CG 3.48Å; C877-Q881 PolarHBondContact O-N 2.87Å; C877-F957 HydrophobicContact CB-CB 4.03Å; C877-F957 VanDerWaalsContact SG-CB 3.54Å
878K90.7Very high92.2Very high28 Ų289.2 Ų9.212%0.1224%0.041CC..Hα-helixtrans-62.1-45.5176.1-76.5-172.4171.7-163.40112L874 L880 Q881 Y882 L929 D933 D1020 Y1022L874-K878 WeakPolarHBondContact O-CG 3.49Å; L874-K878 PolarHBondContact O-N 2.98Å; K878-L880 PolarHBondContact O-N 3.12Å; K878-Q881 PolarHBondContact O-N 3.37Å; K878-Y882 WeakPolarHBondContact O-CB 3.3Å; K878-Y882 PolarHBondContact O-N 3.45Å; K878-L929 HydrophobicContact CB-CD2 4.04Å; K878-L929 HydrophobicContact CD-CD2 4.34Å; K878-D933 IonicContact NZ-OD2 3.43Å; K878-D933 PolarHBondContact NZ-OD2 2.7Å; K878-D1020 PolarHBondContact NZ-O 3.18Å; K878-Y1022 VanDerWaalsContact NZ-CG 3.34Å
879F92.9Very high92.1Very high0 Ų08.7 Ų8.70%04%0.038CC..Hα-helixtrans-52.5-54.7174.8167.2-91.5000110.3L348 V352 I355 R875 M876 Q881 Y882 F883 I926L348-F879 HydrophobicContact CD1-CE1 3.85Å; L348-F879 HydrophobicContact CD1-CZ 4.3Å; V352-F879 HydrophobicContact CG2-CD1 4.23Å; V352-F879 HydrophobicContact CG2-CE1 3.62Å; I355-F879 HydrophobicContact CD1-CB 4Å; I355-F879 HydrophobicContact CD1-CD1 3.96Å; I355-F879 HydrophobicContact CD1-CD2 3.24Å; I355-F879 HydrophobicContact CD1-CE1 4.38Å; I355-F879 HydrophobicContact CD1-CE2 3.76Å; I355-F879 HydrophobicContact CD1-CG 3.43Å; I355-F879 VanDerWaalsContact CD1-CG 3.43Å; I355-F879 HydrophobicContact CD1-CZ 4.33Å; R875-F879 WeakPolarHBondContact O-CB 3.26Å; R875-F879 PolarHBondContact O-N 2.94Å; M876-F879 WeakPolarHBondContact O-CB 3.39Å; M876-F879 PolarHBondContact O-N 3.1Å; M876-F879 HydrophobicContact SD-CD1 4.23Å; F879-Q881 PolarHBondContact O-N 3.36Å; F879-Y882 PolarHBondContact O-N 3.37Å; F879-F883 HydrophobicContact CE1-CB 4.4Å; F879-F883 HydrophobicContact CE1-CD2 4.46Å; F879-F883 HydrophobicContact CE1-CG 4.46Å; F879-F883 AromaticContact CE2-CD2 3.82Å; F879-F883 HydrophobicContact CE2-CD2 3.82Å; F879-F883 HydrophobicContact CE2-CE2 4.44Å; F879-F883 HydrophobicContact CE2-CG 4.49Å; F879-F883 HydrophobicContact CZ-CB 4.22Å; F879-F883 AromaticContact CZ-CD2 3.56Å; F879-F883 HydrophobicContact CZ-CD2 3.56Å; F879-F883 HydrophobicContact CZ-CE2 4.09Å; F879-F883 AromaticContact CZ-CG 3.97Å; F879-F883 HydrophobicContact CZ-CG 3.97Å; F879-F883 WeakPolarHBondContact O-CB 3.38Å; F879-F883 PolarHBondContact O-N 3.35Å; F879-I926 HydrophobicContact CD2-CD1 4.36Å; F879-I926 HydrophobicContact CD2-CG1 3.6Å; F879-I926 HydrophobicContact CD2-CG2 4.46Å; F879-I926 HydrophobicContact CE2-CG1 3.93Å; F879-I926 HydrophobicContact CE2-CG2 4.06Å
880L90.3Very high92Very high1 Ų18.7 Ų8.71%0.0054%0.039CC..Hα-helixtrans-61.7-45.9-178-70174.5000112.3I276 L348 V352 M876 C877 K878 F883 F884 F957I276-L880 HydrophobicContact CG2-CD1 3.65Å; L348-L880 HydrophobicContact CD1-CD2 3.75Å; V352-L880 HydrophobicContact CG2-CD2 4.16Å; M876-L880 HydrophobicContact CG-CD1 4.18Å; M876-L880 VanDerWaalsContact O-CG 3.29Å; M876-L880 WeakPolarHBondContact O-CG 3.13Å; M876-L880 PolarHBondContact O-N 2.79Å; M876-L880 HydrophobicContact SD-CD1 4.5Å; M876-L880 HydrophobicContact SD-CG 4.36Å; C877-L880 PolarHBondContact O-N 3.07Å; K878-L880 PolarHBondContact O-N 3.12Å; L880-F883 PolarHBondContact O-N 3.43Å; L880-F884 WeakPolarHBondContact O-CD2 3.45Å; L880-F884 PolarHBondContact O-N 2.87Å; L880-F957 HydrophobicContact CB-CD2 4.06Å; L880-F957 HydrophobicContact CB-CE2 3.66Å; L880-F957 HydrophobicContact CB-CZ 4.02Å; L880-F957 HydrophobicContact CD1-CD1 4.07Å; L880-F957 HydrophobicContact CD1-CD2 4.46Å; L880-F957 HydrophobicContact CD1-CE1 3.84Å; L880-F957 HydrophobicContact CD1-CE2 4.25Å; L880-F957 HydrophobicContact CD1-CG 4.39Å; L880-F957 HydrophobicContact CD1-CZ 3.95Å
881Q89.9Confident91.9Very high70 Ų708.4 Ų8.433%0.3274%0.037SC..Hα-helixtrans-58.3-50.8179.4-75.9-177.2-15.700112.2C877 K878 F879 F883 F884 Y885 Y956 F957 C965C877-Q881 WeakPolarHBondContact O-CG 3.48Å; C877-Q881 PolarHBondContact O-N 2.87Å; K878-Q881 PolarHBondContact O-N 3.37Å; F879-Q881 PolarHBondContact O-N 3.36Å; Q881-F883 VanDerWaalsContact C-N 3.34Å; Q881-F884 PolarHBondContact O-N 2.87Å; Q881-Y885 WeakPolarHBondContact O-CB 3.36Å; Q881-Y885 PolarHBondContact O-N 3.08Å; Q881-Y956 PolarHBondContact NE2-O 3Å; Q881-F957 HydrophobicContact CG-CD2 4.16Å; Q881-C965 PolarHBondContact O-SG 3.45Å; Q881-C965 VanDerWaalsContact O-SG 3.42Å
882Y91.6Very high91.9Very high8 Ų87.9 Ų7.93%0.0314%0.036CC..Hα-helixtrans-66.6-38.6179.2175.6-88000111.5K878 F879 F884 Y885 K886 I926 V1013 L1017K878-Y882 WeakPolarHBondContact O-CB 3.3Å; K878-Y882 PolarHBondContact O-N 3.45Å; F879-Y882 PolarHBondContact O-N 3.37Å; Y882-F884 PolarHBondContact O-N 3.33Å; Y882-Y885 WeakPolarHBondContact O-CB 3.4Å; Y882-Y885 PolarHBondContact O-N 3.46Å; Y882-K886 HydrophobicContact CD1-CD 4.08Å; Y882-K886 HydrophobicContact CE1-CB 4.4Å; Y882-K886 HydrophobicContact CE1-CD 3.67Å; Y882-K886 PolarHBondContact O-N 2.86Å; Y882-I926 HydrophobicContact CD1-CB 4.05Å; Y882-I926 HydrophobicContact CD1-CD1 3.25Å; Y882-I926 HydrophobicContact CD1-CG1 3.52Å; Y882-I926 HydrophobicContact CE1-CB 3.94Å; Y882-I926 HydrophobicContact CE1-CD1 3.88Å; Y882-I926 HydrophobicContact CE1-CG1 3.95Å; Y882-I926 HydrophobicContact CG-CD1 3.73Å; Y882-I926 HydrophobicContact CG-CG1 4.44Å; Y882-V1013 HydrophobicContact CE1-CG1 4.49Å; Y882-V1013 HydrophobicContact CE2-CG1 4.25Å; Y882-V1013 WeakPolarHBondContact OH-CG1 3.31Å; Y882-V1013 PolarHBondContact OH-O 3.49Å; Y882-V1013 VanDerWaalsContact OH-O 3.07Å; Y882-L1017 HydrophobicContact CD1-CD1 4.24Å; Y882-L1017 HydrophobicContact CD2-CB 4.43Å; Y882-L1017 HydrophobicContact CD2-CD1 4.01Å; Y882-L1017 HydrophobicContact CE1-CD1 4Å; Y882-L1017 HydrophobicContact CE2-CB 3.59Å; Y882-L1017 HydrophobicContact CE2-CD1 3.8Å; Y882-L1017 HydrophobicContact CE2-CG 4.27Å; Y882-L1017 HydrophobicContact CG-CD1 4.2Å
883F90.8Very high91.9Very high0 Ų07.8 Ų7.80%04%0.035CC..Hα-helixtrans-65.5-38.7-179.5-161.6-86.3000112.2P345 S347 L348 F879 L880 Q881 K886 N887 I926P345-F883 HydrophobicContact CB-CE1 3.6Å; P345-F883 HydrophobicContact CB-CZ 4.02Å; P345-F883 HydrophobicContact CG-CD1 3.97Å; P345-F883 HydrophobicContact CG-CE1 3.25Å; P345-F883 HydrophobicContact CG-CZ 4.17Å; S347-F883 WeakPolarHBondContact OG-CZ 3.49Å; L348-F883 HydrophobicContact CB-CD1 4.13Å; L348-F883 HydrophobicContact CB-CE1 3.52Å; L348-F883 HydrophobicContact CB-CZ 4.1Å; L348-F883 HydrophobicContact CD1-CB 4.49Å; L348-F883 HydrophobicContact CD1-CD1 3.51Å; L348-F883 HydrophobicContact CD1-CE1 3.8Å; L348-F883 HydrophobicContact CD1-CG 4.04Å; L348-F883 HydrophobicContact CG-CD1 4.33Å; L348-F883 HydrophobicContact CG-CE1 4.21Å; F879-F883 HydrophobicContact CE1-CB 4.4Å; F879-F883 HydrophobicContact CE1-CD2 4.46Å; F879-F883 HydrophobicContact CE1-CG 4.46Å; F879-F883 AromaticContact CE2-CD2 3.82Å; F879-F883 HydrophobicContact CE2-CD2 3.82Å; F879-F883 HydrophobicContact CE2-CE2 4.44Å; F879-F883 HydrophobicContact CE2-CG 4.49Å; F879-F883 HydrophobicContact CZ-CB 4.22Å; F879-F883 AromaticContact CZ-CD2 3.56Å; F879-F883 HydrophobicContact CZ-CD2 3.56Å; F879-F883 HydrophobicContact CZ-CE2 4.09Å; F879-F883 AromaticContact CZ-CG 3.97Å; F879-F883 HydrophobicContact CZ-CG 3.97Å; F879-F883 WeakPolarHBondContact O-CB 3.38Å; F879-F883 PolarHBondContact O-N 3.35Å; L880-F883 PolarHBondContact O-N 3.43Å; Q881-F883 VanDerWaalsContact C-N 3.34Å; F883-K886 HydrophobicContact CD2-CD 4.5Å; F883-K886 WeakPolarHBondContact O-CG 3.43Å; F883-N887 WeakPolarHBondContact CD1-ND2 3.37Å; F883-N887 VanDerWaalsContact CE1-ND2 3.34Å; F883-N887 WeakPolarHBondContact CE1-ND2 3.34Å; F883-N887 PolarHBondContact O-N 3.04Å; F883-N887 PolarHBondContact O-ND2 3.15Å; F883-I926 HydrophobicContact CD2-CG2 4.42Å
884F89.7Confident91.9Very high4 Ų48 Ų82%0.0184%0.036CC..Hα-helixtrans-67.6-43.5170.8-75.1-59.7000111.6I287 L348 L880 Q881 Y882 K886 N887 F888 F957 F962I287-F884 HydrophobicContact CD1-CD1 4.11Å; I287-F884 HydrophobicContact CD1-CE1 3.59Å; I287-F884 HydrophobicContact CD1-CZ 4.42Å; L348-F884 HydrophobicContact CD2-CE1 4.31Å; L348-F884 HydrophobicContact CD2-CZ 4.02Å; L880-F884 WeakPolarHBondContact O-CD2 3.45Å; L880-F884 PolarHBondContact O-N 2.87Å; Q881-F884 PolarHBondContact O-N 2.87Å; Y882-F884 PolarHBondContact O-N 3.33Å; F884-K886 PolarHBondContact O-N 3.05Å; F884-N887 PolarHBondContact O-N 2.9Å; F884-F888 HydrophobicContact CB-CD2 4.13Å; F884-F888 HydrophobicContact CB-CE2 3.81Å; F884-F888 HydrophobicContact CD1-CE2 4.13Å; F884-F888 HydrophobicContact CD1-CZ 4.08Å; F884-F888 HydrophobicContact CG-CE2 4.28Å; F884-F888 WeakPolarHBondContact O-CB 3.5Å; F884-F888 WeakPolarHBondContact O-CD2 3.32Å; F884-F888 WeakPolarHBondContact O-CG 3.38Å; F884-F888 PolarHBondContact O-N 3.09Å; F884-F957 HydrophobicContact CD2-CE2 4.38Å; F884-F957 HydrophobicContact CD2-CZ 4.45Å; F884-F957 HydrophobicContact CE2-CE2 4.34Å; F884-F957 AromaticContact CE2-CZ 3.97Å; F884-F957 HydrophobicContact CE2-CZ 3.97Å; F884-F962 HydrophobicContact CD1-CE2 4.14Å; F884-F962 HydrophobicContact CD2-CD2 4.34Å; F884-F962 HydrophobicContact CD2-CE2 4.38Å; F884-F962 HydrophobicContact CE1-CE2 4.41Å; F884-F962 HydrophobicContact CG-CD2 4.45Å; F884-F962 HydrophobicContact CG-CE2 4.14Å
885Y91.8Very high91.9Very high8 Ų88.4 Ų8.43%0.0314%0.037CC..Hα-helixtrans-55.7-51.4179.3166.7-103.1000112.5Q881 Y882 N887 T889 C965 H968 S969 C972 V1013 Q1016Q881-Y885 WeakPolarHBondContact O-CB 3.36Å; Q881-Y885 PolarHBondContact O-N 3.08Å; Y882-Y885 WeakPolarHBondContact O-CB 3.4Å; Y882-Y885 PolarHBondContact O-N 3.46Å; Y885-N887 VanDerWaalsContact C-N 3.3Å; Y885-N887 PolarHBondContact O-N 3.19Å; Y885-T889 VanDerWaalsContact O-CB 3.28Å; Y885-T889 WeakPolarHBondContact O-CB 3.31Å; Y885-T889 PolarHBondContact O-N 2.83Å; Y885-T889 PolarHBondContact O-OG1 3.05Å; Y885-C965 VanDerWaalsContact CA-SG 3.55Å; Y885-C965 PolarHBondContact N-SG 2.93Å; Y885-C965 VanDerWaalsContact N-SG 3.38Å; Y885-H968 AromaticContact CD2-CE1 3.87Å; Y885-H968 AromaticContact CD2-ND1 3.46Å; Y885-H968 WeakPolarHBondContact CD2-ND1 3.17Å; Y885-H968 AromaticContact CE2-CE1 3.29Å; Y885-H968 WeakPolarHBondContact CE2-CE1 3.27Å; Y885-H968 AromaticContact CE2-CG 3.95Å; Y885-H968 AromaticContact CE2-ND1 3.31Å; Y885-H968 VanDerWaalsContact CE2-ND1 3.31Å; Y885-H968 WeakPolarHBondContact CE2-ND1 3.42Å; Y885-H968 AromaticContact CE2-NE2 3.9Å; Y885-H968 AromaticContact CZ-CE1 3.78Å; Y885-S969 WeakPolarHBondContact CA-OG 3.22Å; Y885-S969 WeakPolarHBondContact CD2-OG 3.49Å; Y885-S969 PolarHBondContact O-OG 3.46Å; Y885-C972 HydrophobicContact CE2-CB 4.29Å; Y885-C972 PolarHBondContact OH-SG 2.97Å; Y885-V1013 HydrophobicContact CE1-CG2 4.45Å; Y885-Q1016 HydrophobicContact CD1-CG 4.19Å; Y885-Q1016 HydrophobicContact CE1-CB 4.04Å; Y885-Q1016 HydrophobicContact CE1-CG 3.66Å
886K91.9Very high91.9Very high0 Ų010.4 Ų10.40%05%0.045CC..Hα-helixtrans-65.1-33.6-17780.1-173.9-174.677.60112.9Y882 F883 F884 F890 Y917 N918 T922 V1013Y882-K886 HydrophobicContact CD1-CD 4.08Å; Y882-K886 HydrophobicContact CE1-CB 4.4Å; Y882-K886 HydrophobicContact CE1-CD 3.67Å; Y882-K886 PolarHBondContact O-N 2.86Å; F883-K886 HydrophobicContact CD2-CD 4.5Å; F883-K886 WeakPolarHBondContact O-CG 3.43Å; F884-K886 PolarHBondContact O-N 3.05Å; K886-F890 VanDerWaalsContact O-CB 3.3Å; K886-F890 WeakPolarHBondContact O-CB 3.46Å; K886-F890 PolarHBondContact O-N 3.5Å; K886-Y917 PolarHBondContact O-OH 3.43Å; K886-N918 PolarHBondContact NZ-OD1 3.35Å; K886-T922 PolarHBondContact NZ-OG1 2.94Å; K886-V1013 HydrophobicContact CB-CG1 3.79Å; K886-V1013 HydrophobicContact CB-CG2 4.4Å
887N91Very high92Very high1 Ų111.9 Ų11.91%0.0055%0.051CC..Hα-helixtrans-79.8-43.1-178.7-79.3-73.4000111.3A342 P345 F883 F884 Y885 T889 F890 T891 N918A342-N887 PolarHBondContact O-OD1 2.9Å; P345-N887 HydrophobicContact CG-CB 4.38Å; F883-N887 WeakPolarHBondContact CD1-ND2 3.37Å; F883-N887 VanDerWaalsContact CE1-ND2 3.34Å; F883-N887 WeakPolarHBondContact CE1-ND2 3.34Å; F883-N887 PolarHBondContact O-N 3.04Å; F883-N887 PolarHBondContact O-ND2 3.15Å; F884-N887 PolarHBondContact O-N 2.9Å; Y885-N887 VanDerWaalsContact C-N 3.3Å; Y885-N887 PolarHBondContact O-N 3.19Å; N887-T889 VanDerWaalsContact C-N 3.34Å; N887-T889 PolarHBondContact O-N 2.91Å; N887-F890 PolarHBondContact O-N 3.32Å; N887-T891 PolarHBondContact O-N 3.24Å; N887-T891 PolarHBondContact O-OG1 3Å; N887-N918 VanDerWaalsContact OD1-CG 3.3Å; N887-N918 PolarHBondContact OD1-ND2 3.11Å; N887-N918 PolarHBondContact OD1-OD1 2.82Å
888F92.3Very high92Very high2 Ų211.9 Ų11.91%0.0095%0.051CC..Hα-helixtrans-62.7-42.8174.3-69.3-38.7000111.8I287 V343 F884 F890 T891 F892 F962I287-F888 HydrophobicContact CD1-CE1 4.44Å; I287-F888 HydrophobicContact CD1-CZ 3.94Å; I287-F888 HydrophobicContact CG1-CE1 4.37Å; I287-F888 HydrophobicContact CG1-CZ 4.05Å; V343-F888 HydrophobicContact CG1-CE1 4.13Å; V343-F888 HydrophobicContact CG2-CD1 4.38Å; F884-F888 HydrophobicContact CB-CD2 4.13Å; F884-F888 HydrophobicContact CB-CE2 3.81Å; F884-F888 HydrophobicContact CD1-CE2 4.13Å; F884-F888 HydrophobicContact CD1-CZ 4.08Å; F884-F888 HydrophobicContact CG-CE2 4.28Å; F884-F888 WeakPolarHBondContact O-CB 3.5Å; F884-F888 WeakPolarHBondContact O-CD2 3.32Å; F884-F888 WeakPolarHBondContact O-CG 3.38Å; F884-F888 PolarHBondContact O-N 3.09Å; F888-F890 VanDerWaalsContact C-N 3.34Å; F888-F890 PolarHBondContact O-N 2.79Å; F888-T891 PolarHBondContact O-N 2.74Å; F888-F892 HydrophobicContact CB-CD2 4.36Å; F888-F892 HydrophobicContact CB-CE2 4.09Å; F888-F892 WeakPolarHBondContact O-CB 3.25Å; F888-F892 WeakPolarHBondContact O-CD2 3.44Å; F888-F892 VanDerWaalsContact O-CG 3.27Å; F888-F892 WeakPolarHBondContact O-CG 3.26Å; F888-F892 PolarHBondContact O-N 3.06Å; F888-F962 AromaticContact CE2-CE2 3.69Å; F888-F962 HydrophobicContact CE2-CE2 3.69Å; F888-F962 AromaticContact CE2-CZ 3.81Å; F888-F962 HydrophobicContact CE2-CZ 3.81Å; F888-F962 AromaticContact CZ-CE2 3.76Å; F888-F962 HydrophobicContact CZ-CE2 3.76Å; F888-F962 AromaticContact CZ-CZ 3.6Å; F888-F962 HydrophobicContact CZ-CZ 3.6Å
889T93.7Very high92.1Very high0 Ų015.4 Ų15.40%07%0.067CC..Hα-helixtrans-60.6-45.5176.7-55.90000110.9Y885 N887 T891 V893 S969 C972 L976 L1009Y885-T889 VanDerWaalsContact O-CB 3.28Å; Y885-T889 WeakPolarHBondContact O-CB 3.31Å; Y885-T889 PolarHBondContact O-N 2.83Å; Y885-T889 PolarHBondContact O-OG1 3.05Å; N887-T889 VanDerWaalsContact C-N 3.34Å; N887-T889 PolarHBondContact O-N 2.91Å; T889-T891 PolarHBondContact O-N 3.37Å; T889-V893 WeakPolarHBondContact O-CG2 3.5Å; T889-V893 PolarHBondContact O-N 3.34Å; T889-S969 WeakPolarHBondContact OG1-CA 3.42Å; T889-S969 WeakPolarHBondContact OG1-CB 3.4Å; T889-C972 HydrophobicContact CG2-CB 3.98Å; T889-L976 HydrophobicContact CG2-CD1 3.34Å; T889-L1009 HydrophobicContact CG2-CD1 3.85Å
890F92.7Very high91.9Very high1 Ų119.8 Ų19.80%0.0049%0.086CC..Hα-helixtrans-58-46.3175.4170.6-87.1000112.6A342 K886 N887 F888 H894 Y909 F913 I914 Y917 L1009A342-F890 HydrophobicContact CB-CD1 3.68Å; A342-F890 HydrophobicContact CB-CE1 3.44Å; A342-F890 VanDerWaalsContact CB-CE1 3.44Å; K886-F890 VanDerWaalsContact O-CB 3.3Å; K886-F890 WeakPolarHBondContact O-CB 3.46Å; K886-F890 PolarHBondContact O-N 3.5Å; N887-F890 PolarHBondContact O-N 3.32Å; F888-F890 VanDerWaalsContact C-N 3.34Å; F888-F890 PolarHBondContact O-N 2.79Å; F890-H894 AromaticContact CE1-CE1 3.76Å; F890-H894 AromaticContact CZ-CE1 3.71Å; F890-H894 PolarHBondContact O-ND1 2.91Å; F890-Y909 AromaticContact CD2-CD2 3.96Å; F890-Y909 HydrophobicContact CD2-CD2 3.96Å; F890-Y909 AromaticContact CD2-CE2 3.54Å; F890-Y909 HydrophobicContact CD2-CE2 3.54Å; F890-Y909 AromaticContact CE2-CD2 3.36Å; F890-Y909 HydrophobicContact CE2-CD2 3.36Å; F890-Y909 AromaticContact CE2-CE2 3.45Å; F890-Y909 HydrophobicContact CE2-CE2 3.45Å; F890-Y909 VanDerWaalsContact CE2-CE2 3.45Å; F890-Y909 HydrophobicContact CE2-CG 4.42Å; F890-Y909 HydrophobicContact CG-CE2 4.22Å; F890-Y909 AromaticContact CZ-CD2 3.82Å; F890-Y909 HydrophobicContact CZ-CD2 3.82Å; F890-Y909 HydrophobicContact CZ-CE2 4.06Å; F890-F913 HydrophobicContact CD2-CE1 4.49Å; F890-F913 HydrophobicContact CE2-CD1 4.41Å; F890-F913 HydrophobicContact CE2-CE1 4.16Å; F890-I914 HydrophobicContact CZ-CB 4.27Å; F890-I914 HydrophobicContact CZ-CG1 3.97Å; F890-I914 HydrophobicContact CZ-CG2 4.06Å; F890-Y917 HydrophobicContact CB-CD1 4.5Å; F890-Y917 HydrophobicContact CB-CE1 3.74Å; F890-Y917 AromaticContact CD2-CD1 3.66Å; F890-Y917 HydrophobicContact CD2-CD1 3.66Å; F890-Y917 HydrophobicContact CD2-CD2 4.49Å; F890-Y917 AromaticContact CD2-CE1 3.69Å; F890-Y917 HydrophobicContact CD2-CE1 3.69Å; F890-Y917 HydrophobicContact CD2-CG 4.08Å; F890-Y917 HydrophobicContact CE2-CD1 4.05Å; F890-Y917 HydrophobicContact CE2-CG 4.24Å; F890-Y917 HydrophobicContact CG-CD1 4.09Å; F890-Y917 AromaticContact CG-CE1 3.82Å; F890-Y917 HydrophobicContact CG-CE1 3.82Å; F890-L1009 HydrophobicContact CB-CD2 4.05Å; F890-L1009 HydrophobicContact CD2-CD2 3.6Å; F890-L1009 HydrophobicContact CG-CD2 4.29Å
891T91.5Very high91.7Very high1 Ų120.9 Ų20.91%0.0069%0.093CC..Hα-helixtrans-78.4-34.9-175-56.90000113.4L340 V343 N887 F888 T889 V893 H894 F895L340-T891 HydrophobicContact CB-CG2 3.82Å; L340-T891 HydrophobicContact CD2-CG2 3.44Å; L340-T891 VanDerWaalsContact CD2-CG2 3.44Å; L340-T891 HydrophobicContact CG-CG2 4.18Å; V343-T891 VanDerWaalsContact CG2-CB 3.48Å; V343-T891 HydrophobicContact CG2-CG2 3.34Å; N887-T891 PolarHBondContact O-N 3.24Å; N887-T891 PolarHBondContact O-OG1 3Å; F888-T891 PolarHBondContact O-N 2.74Å; T889-T891 PolarHBondContact O-N 3.37Å; T891-V893 PolarHBondContact O-N 2.93Å; T891-H894 WeakPolarHBondContact O-CB 3.28Å; T891-H894 PolarHBondContact O-N 3.43Å; T891-F895 PolarHBondContact O-N 2.99Å
892F93.8Very high91.6Very high11 Ų1118.1 Ų18.15%0.0488%0.084CC..Hα-helixtrans-64.2-28177.8-71.6-28.5000113.1F290 L294 F888 H894 F895 W896 M966 C970 S973F290-F892 AromaticContact CE1-CE1 3.56Å; F290-F892 HydrophobicContact CE1-CE1 3.56Å; F290-F892 AromaticContact CE1-CZ 3.79Å; F290-F892 HydrophobicContact CE1-CZ 3.79Å; F290-F892 AromaticContact CZ-CE1 3.61Å; F290-F892 HydrophobicContact CZ-CE1 3.61Å; F290-F892 AromaticContact CZ-CZ 3.77Å; F290-F892 HydrophobicContact CZ-CZ 3.77Å; L294-F892 HydrophobicContact CD1-CE1 4.23Å; F888-F892 HydrophobicContact CB-CD2 4.36Å; F888-F892 HydrophobicContact CB-CE2 4.09Å; F888-F892 WeakPolarHBondContact O-CB 3.25Å; F888-F892 WeakPolarHBondContact O-CD2 3.44Å; F888-F892 VanDerWaalsContact O-CG 3.27Å; F888-F892 WeakPolarHBondContact O-CG 3.26Å; F888-F892 PolarHBondContact O-N 3.06Å; F892-H894 VanDerWaalsContact C-N 3.3Å; F892-H894 PolarHBondContact O-N 3.32Å; F892-F895 WeakPolarHBondContact O-CB 3.42Å; F892-F895 PolarHBondContact O-N 3.41Å; F892-F895 VanDerWaalsContact O-N 3.12Å; F892-W896 PolarHBondContact O-N 2.97Å; F892-W896 PolarHBondContact O-NE1 3.41Å; F892-M966 HydrophobicContact CE2-CG 4.45Å; F892-M966 HydrophobicContact CZ-CG 4.28Å; F892-C970 HydrophobicContact CD2-CB 4.18Å; F892-C970 HydrophobicContact CE2-CB 4.05Å; F892-S973 VanDerWaalsContact CB-CB 3.42Å; F892-S973 WeakPolarHBondContact CB-OG 3.4Å
893V94.6Very high91.5Very high0 Ų019.2 Ų19.20%09%0.088CC..Hα-helixtrans-61-39171.5175.80000111.8T889 T891 F895 W896 Y897 V908 Y909 L976 F977T889-V893 WeakPolarHBondContact O-CG2 3.5Å; T889-V893 PolarHBondContact O-N 3.34Å; T891-V893 PolarHBondContact O-N 2.93Å; V893-F895 VanDerWaalsContact C-N 3.33Å; V893-F895 PolarHBondContact O-N 3.17Å; V893-W896 PolarHBondContact O-N 3.25Å; V893-Y897 PolarHBondContact O-N 3.48Å; V893-V908 HydrophobicContact CG1-CB 4.5Å; V893-V908 HydrophobicContact CG1-CG1 3.96Å; V893-V908 HydrophobicContact CG1-CG2 4.38Å; V893-Y909 VanDerWaalsContact CB-OH 3.22Å; V893-Y909 WeakPolarHBondContact CB-OH 3.32Å; V893-Y909 HydrophobicContact CG1-CE1 4.42Å; V893-Y909 VanDerWaalsContact CG1-OH 3.28Å; V893-Y909 WeakPolarHBondContact CG1-OH 3.39Å; V893-Y909 WeakPolarHBondContact CG2-OH 3.21Å; V893-L976 HydrophobicContact CG2-CB 4.08Å; V893-F977 HydrophobicContact CG1-CB 4.38Å; V893-F977 HydrophobicContact CG1-CD2 4.13Å
894H92.4Very high91.3Very high7 Ų722.5 Ų22.53%0.03211%0.112CC..Hα-helixtrans-64.9-37.9173.2-69.287.5000112.3V339 L340 F890 T891 F892 Y897 A898 Y909V339-H894 HydrophobicContact CG1-CB 4.19Å; V339-H894 VanDerWaalsContact CG1-CD2 3.46Å; V339-H894 WeakPolarHBondContact CG1-CD2 3.22Å; L340-H894 HydrophobicContact CD2-CB 3.73Å; F890-H894 AromaticContact CE1-CE1 3.76Å; F890-H894 AromaticContact CZ-CE1 3.71Å; F890-H894 PolarHBondContact O-ND1 2.91Å; T891-H894 WeakPolarHBondContact O-CB 3.28Å; T891-H894 PolarHBondContact O-N 3.43Å; F892-H894 VanDerWaalsContact C-N 3.3Å; F892-H894 PolarHBondContact O-N 3.32Å; H894-Y897 PolarHBondContact O-N 3.43Å; H894-A898 PolarHBondContact O-N 3.19Å; H894-A898 VanDerWaalsContact O-N 3.1Å; H894-Y909 AromaticContact CE1-CD2 3.26Å; H894-Y909 WeakPolarHBondContact CE1-CD2 3.41Å; H894-Y909 AromaticContact CE1-CE2 3.37Å; H894-Y909 WeakPolarHBondContact CE1-CE2 3.34Å; H894-Y909 AromaticContact ND1-CE2 3.81Å; H894-Y909 AromaticContact NE2-CD2 3.79Å
895F92.9Very high91.2Very high24 Ų2422.5 Ų22.511%0.10511%0.112CC..Hα-helixtrans-61.9-43.7175.7176.5-98.4000111.6L294 L298 T891 F892 V893 A898 F899L294-F895 HydrophobicContact CD2-CD2 3.97Å; L294-F895 HydrophobicContact CD2-CE2 3.71Å; L294-F895 HydrophobicContact CD2-CZ 4.19Å; L298-F895 HydrophobicContact CD1-CD2 4.02Å; L298-F895 HydrophobicContact CD2-CD2 3.88Å; L298-F895 HydrophobicContact CD2-CE2 3.78Å; L298-F895 HydrophobicContact CG-CD2 4.09Å; L298-F895 HydrophobicContact CG-CE2 4.12Å; T891-F895 PolarHBondContact O-N 2.99Å; F892-F895 WeakPolarHBondContact O-CB 3.42Å; F892-F895 PolarHBondContact O-N 3.41Å; F892-F895 VanDerWaalsContact O-N 3.12Å; V893-F895 VanDerWaalsContact C-N 3.33Å; V893-F895 PolarHBondContact O-N 3.17Å; F895-A898 WeakPolarHBondContact O-CB 3.38Å; F895-A898 PolarHBondContact O-N 3.41Å; F895-F899 HydrophobicContact CD1-CE2 4.19Å; F895-F899 AromaticContact CE1-CE2 3.73Å; F895-F899 HydrophobicContact CE1-CE2 3.73Å; F895-F899 HydrophobicContact CE1-CZ 4.19Å; F895-F899 HydrophobicContact CE2-CE2 4.39Å; F895-F899 AromaticContact CZ-CE2 3.84Å; F895-F899 HydrophobicContact CZ-CE2 3.84Å; F895-F899 AromaticContact CZ-CZ 3.91Å; F895-F899 HydrophobicContact CZ-CZ 3.91Å; F895-F899 WeakPolarHBondContact O-CD2 3.45Å; F895-F899 WeakPolarHBondContact O-CE2 3.28Å
896W93.6Very high91.1Very high51 Ų5126.5 Ų26.519%0.19313%0.131CC..Hα-helixtrans-67-39.3177-58.1128.1000112.6F892 V893 A898 F899 F900 S973 L974 F977F892-W896 PolarHBondContact O-N 2.97Å; F892-W896 PolarHBondContact O-NE1 3.41Å; V893-W896 PolarHBondContact O-N 3.25Å; W896-A898 VanDerWaalsContact C-N 3.28Å; W896-A898 PolarHBondContact O-N 3.15Å; W896-F899 HydrophobicContact CE3-CD2 4.5Å; W896-F899 HydrophobicContact CE3-CE2 4.23Å; W896-F899 HydrophobicContact CZ3-CE2 4.5Å; W896-F899 WeakPolarHBondContact O-CD2 3.46Å; W896-F899 PolarHBondContact O-N 2.92Å; W896-F900 WeakPolarHBondContact O-CD2 3.43Å; W896-S973 PolarHBondContact NE1-OG 3.46Å; W896-L974 HydrophobicContact CD2-CD2 3.83Å; W896-L974 VanDerWaalsContact CE2-CD2 3.42Å; W896-L974 HydrophobicContact CE3-CD2 4.24Å; W896-L974 HydrophobicContact CG-CD2 4.4Å; W896-L974 HydrophobicContact CH2-CD2 4Å; W896-L974 HydrophobicContact CZ2-CD2 3.54Å; W896-L974 HydrophobicContact CZ2-CG 3.95Å; W896-L974 HydrophobicContact CZ3-CD2 4.31Å; W896-F977 HydrophobicContact CB-CB 4.24Å; W896-F977 HydrophobicContact CB-CD1 3.8Å; W896-F977 HydrophobicContact CB-CD2 4.36Å; W896-F977 HydrophobicContact CB-CE1 4.3Å; W896-F977 HydrophobicContact CB-CG 3.84Å
897Y92.9Very high91Very high32 Ų3227 Ų2713%0.12513%0.134CC..Hα-helixtrans-65.5-29.2177.4-177.3-121.9000114.1V893 H894 F899 F900 C901 Q906 T907 V908 F977 Y998 F1001V893-Y897 PolarHBondContact O-N 3.48Å; H894-Y897 PolarHBondContact O-N 3.43Å; Y897-F899 PolarHBondContact O-N 3.42Å; Y897-F899 VanDerWaalsContact O-N 3.09Å; Y897-F900 HydrophobicContact CD2-CB 4.41Å; Y897-F900 WeakPolarHBondContact O-CA 3.48Å; Y897-F900 PolarHBondContact O-N 3.2Å; Y897-C901 HydrophobicContact CD1-CB 4.36Å; Y897-C901 HydrophobicContact CE1-CB 3.96Å; Y897-C901 PolarHBondContact O-N 3.05Å; Y897-C901 VanDerWaalsContact O-N 3.17Å; Y897-Q906 HydrophobicContact CE1-CB 4.15Å; Y897-Q906 HydrophobicContact CE1-CG 4.08Å; Y897-T907 WeakPolarHBondContact CE1-O 3.4Å; Y897-V908 HydrophobicContact CD1-CB 4.35Å; Y897-V908 HydrophobicContact CD1-CG2 3.3Å; Y897-V908 HydrophobicContact CD2-CG2 4.25Å; Y897-V908 HydrophobicContact CE1-CG2 4.16Å; Y897-V908 HydrophobicContact CG-CG2 3.33Å; Y897-F977 AromaticContact CD2-CE2 3.79Å; Y897-F977 HydrophobicContact CD2-CE2 3.79Å; Y897-F977 HydrophobicContact CD2-CZ 4.17Å; Y897-F977 HydrophobicContact CG-CE2 4.22Å; Y897-Y998 HydrophobicContact CE1-CE2 4.48Å; Y897-Y998 VanDerWaalsContact OH-CD2 3.31Å; Y897-Y998 WeakPolarHBondContact OH-CD2 3.23Å; Y897-Y998 WeakPolarHBondContact OH-CE2 3.22Å; Y897-F1001 HydrophobicContact CD2-CE1 4.42Å; Y897-F1001 HydrophobicContact CE2-CE1 4.39Å
898A92Very high91Very high1 Ų127 Ų271%0.00813%0.134CC..Hα-helixtrans-54.9-31.6178.800000113.1L298 Y336 H894 F895 W896 F900 F903L298-A898 HydrophobicContact CD1-CB 4.19Å; L298-A898 HydrophobicContact CD2-CB 3.6Å; L298-A898 HydrophobicContact CG-CB 4.49Å; Y336-A898 HydrophobicContact CE1-CB 4.05Å; H894-A898 PolarHBondContact O-N 3.19Å; H894-A898 VanDerWaalsContact O-N 3.1Å; F895-A898 WeakPolarHBondContact O-CB 3.38Å; F895-A898 PolarHBondContact O-N 3.41Å; W896-A898 VanDerWaalsContact C-N 3.28Å; W896-A898 PolarHBondContact O-N 3.15Å; A898-F900 VanDerWaalsContact C-N 3.25Å; A898-F900 PolarHBondContact O-N 2.99Å; A898-F903 HydrophobicContact CB-CD1 4.24Å; A898-F903 WeakPolarHBondContact O-CA 3.34Å; A898-F903 PolarHBondContact O-N 2.89Å
899F91.5Very high90.9Very high102 Ų10226.9 Ų26.945%0.44713%0.134SC..THydrogen-bonded Turntrans-69.9-19.6176.1-64.5-82.3000113.7F895 W896 Y897 F903F895-F899 HydrophobicContact CD1-CE2 4.19Å; F895-F899 AromaticContact CE1-CE2 3.73Å; F895-F899 HydrophobicContact CE1-CE2 3.73Å; F895-F899 HydrophobicContact CE1-CZ 4.19Å; F895-F899 HydrophobicContact CE2-CE2 4.39Å; F895-F899 AromaticContact CZ-CE2 3.84Å; F895-F899 HydrophobicContact CZ-CE2 3.84Å; F895-F899 AromaticContact CZ-CZ 3.91Å; F895-F899 HydrophobicContact CZ-CZ 3.91Å; F895-F899 WeakPolarHBondContact O-CD2 3.45Å; F895-F899 WeakPolarHBondContact O-CE2 3.28Å; W896-F899 HydrophobicContact CE3-CD2 4.5Å; W896-F899 HydrophobicContact CE3-CE2 4.23Å; W896-F899 HydrophobicContact CZ3-CE2 4.5Å; W896-F899 WeakPolarHBondContact O-CD2 3.46Å; W896-F899 PolarHBondContact O-N 2.92Å; Y897-F899 PolarHBondContact O-N 3.42Å; Y897-F899 VanDerWaalsContact O-N 3.09Å; F899-F903 AromaticContact CD1-CE1 3.84Å; F899-F903 HydrophobicContact CD1-CE1 3.84Å; F899-F903 AromaticContact CD1-CZ 3.64Å; F899-F903 HydrophobicContact CD1-CZ 3.64Å; F899-F903 HydrophobicContact CE1-CE1 4Å; F899-F903 HydrophobicContact CE1-CZ 4.01Å; F899-F903 HydrophobicContact CG-CE1 4.37Å; F899-F903 HydrophobicContact CG-CZ 4.4Å
900F89.2Confident90.6Very high91 Ų9127.4 Ų27.440%0.39914%0.137SC..THydrogen-bonded Turntrans-103.4-18.3-177.2-66-94.6000113.1W896 Y897 A898 F977 F978 W981W896-F900 WeakPolarHBondContact O-CD2 3.43Å; Y897-F900 HydrophobicContact CD2-CB 4.41Å; Y897-F900 WeakPolarHBondContact O-CA 3.48Å; Y897-F900 PolarHBondContact O-N 3.2Å; A898-F900 VanDerWaalsContact C-N 3.25Å; A898-F900 PolarHBondContact O-N 2.99Å; F900-F977 AromaticContact CD2-CE1 3.61Å; F900-F977 HydrophobicContact CD2-CE1 3.61Å; F900-F977 AromaticContact CD2-CZ 3.48Å; F900-F977 HydrophobicContact CD2-CZ 3.48Å; F900-F977 VanDerWaalsContact CD2-CZ 3.48Å; F900-F977 HydrophobicContact CE2-CD1 4.48Å; F900-F977 AromaticContact CE2-CE1 3.35Å; F900-F977 HydrophobicContact CE2-CE1 3.35Å; F900-F977 AromaticContact CE2-CZ 3.77Å; F900-F977 HydrophobicContact CE2-CZ 3.77Å; F900-F977 HydrophobicContact CG-CE1 4.46Å; F900-F977 HydrophobicContact CG-CZ 4.09Å; F900-F977 HydrophobicContact CZ-CE1 4Å; F900-F978 HydrophobicContact CE2-CE1 4.3Å; F900-F978 AromaticContact CZ-CE1 3.97Å; F900-F978 HydrophobicContact CZ-CE1 3.97Å; F900-W981 HydrophobicContact CD1-CZ2 4.15Å; F900-W981 AromaticContact CD1-NE1 3.97Å; F900-W981 HydrophobicContact CE1-CD2 4.45Å; F900-W981 AromaticContact CE1-CE2 3.83Å; F900-W981 HydrophobicContact CE1-CH2 4.24Å; F900-W981 AromaticContact CE1-CZ2 3.71Å; F900-W981 HydrophobicContact CE1-CZ2 3.71Å
901C86.9Confident90.2Very high25 Ų2530.8 Ų30.817%0.16915%0.153CC..THydrogen-bonded Turntrans-102.421.3179.369.70000113.9Y897 F903 S904 Q906Y897-C901 HydrophobicContact CD1-CB 4.36Å; Y897-C901 HydrophobicContact CE1-CB 3.96Å; Y897-C901 PolarHBondContact O-N 3.05Å; Y897-C901 VanDerWaalsContact O-N 3.17Å; C901-F903 PolarHBondContact O-N 3.47Å; C901-S904 WeakPolarHBondContact O-CB 3.45Å; C901-S904 PolarHBondContact O-N 3.32Å; C901-S904 PolarHBondContact O-OG 3.48Å; C901-Q906 HydrophobicContact CB-CB 4.31Å
902G86.4Confident89.8Confident12 Ų1233.8 Ų33.812%0.12416%0.164CC..THydrogen-bonded Turntrans64.525.4-179.900000113.6S904G902-S904 PolarHBondContact O-N 3.44Å
903F89.7Confident89.5Confident30 Ų3033.4 Ų33.413%0.13216%0.162CC..THydrogen-bonded Turntrans58.623.9-174.9-52.7-86.1000115.8L298 G301 N302 W305 Y336 A898 F899 C901 A905L298-F903 HydrophobicContact CD2-CD1 3.96Å; L298-F903 HydrophobicContact CD2-CE1 4Å; G301-F903 VanDerWaalsContact C-CD2 3.43Å; N302-F903 HydrophobicContact CB-CB 3.72Å; W305-F903 HydrophobicContact CB-CD2 4.18Å; Y336-F903 VanDerWaalsContact CE2-O 3.22Å; Y336-F903 WeakPolarHBondContact CE2-O 3.42Å; Y336-F903 WeakPolarHBondContact OH-CA 3.3Å; Y336-F903 PolarHBondContact OH-O 3.44Å; A898-F903 HydrophobicContact CB-CD1 4.24Å; A898-F903 WeakPolarHBondContact O-CA 3.34Å; A898-F903 PolarHBondContact O-N 2.89Å; F899-F903 AromaticContact CD1-CE1 3.84Å; F899-F903 HydrophobicContact CD1-CE1 3.84Å; F899-F903 AromaticContact CD1-CZ 3.64Å; F899-F903 HydrophobicContact CD1-CZ 3.64Å; F899-F903 HydrophobicContact CE1-CE1 4Å; F899-F903 HydrophobicContact CE1-CZ 4.01Å; F899-F903 HydrophobicContact CG-CE1 4.37Å; F899-F903 HydrophobicContact CG-CZ 4.4Å; C901-F903 PolarHBondContact O-N 3.47Å; F903-A905 PolarHBondContact O-N 3.36Å; F903-A905 VanDerWaalsContact O-N 3.14Å
904S86Confident89.1Confident70 Ų7034.5 Ų34.549%0.4917%0.168SC..  trans-70.6-1.5-179.256.70000116.8C901 G902 Q906C901-S904 WeakPolarHBondContact O-CB 3.45Å; C901-S904 PolarHBondContact O-N 3.32Å; C901-S904 PolarHBondContact O-OG 3.48Å; G902-S904 PolarHBondContact O-N 3.44Å; S904-Q906 PolarHBondContact O-N 2.68Å
905A88.4Confident88.6Confident4 Ų434.9 Ų34.93%0.03317%0.171CC..  trans61.823.4-173.100000115Y336 V339 F903Y336-A905 HydrophobicContact CD1-CB 4.01Å; Y336-A905 HydrophobicContact CD2-CB 4.17Å; Y336-A905 HydrophobicContact CE1-CB 3.8Å; Y336-A905 HydrophobicContact CE2-CB 3.95Å; Y336-A905 HydrophobicContact CG-CB 4.18Å; Y336-A905 PolarHBondContact OH-N 3.42Å; V339-A905 HydrophobicContact CG2-CB 4.47Å; F903-A905 PolarHBondContact O-N 3.36Å; F903-A905 VanDerWaalsContact O-N 3.14Å
906Q89.4Confident88.2Confident92 Ų9235.1 Ų35.143%0.4317%0.173SC..  trans-60.1133.5168.1-175.163.628.900110.8Y897 C901 S904 Y998Y897-Q906 HydrophobicContact CE1-CB 4.15Å; Y897-Q906 HydrophobicContact CE1-CG 4.08Å; C901-Q906 HydrophobicContact CB-CB 4.31Å; S904-Q906 PolarHBondContact O-N 2.68Å; Q906-Y998 HydrophobicContact CG-CE2 4.49Å
907T89.9Confident87.9Confident10 Ų1032.7 Ų32.76%0.06116%0.164CC..  trans-68.4152.9176.555.80000111.3L82 V339 Y897 Y909 I914 Y998L82-T907 HydrophobicContact CD2-CG2 3.88Å; V339-T907 HydrophobicContact CG2-CG2 4.4Å; Y897-T907 WeakPolarHBondContact CE1-O 3.4Å; T907-Y909 PolarHBondContact OG1-O 3.38Å; T907-I914 HydrophobicContact CG2-CD1 3.87Å; T907-Y998 WeakPolarHBondContact O-CE2 3.38Å; T907-Y998 PolarHBondContact O-OH 2.93Å
908V91.1Very high87.5Confident0 Ų032.1 Ų32.10%016%0.163CC..SBendtrans-86.7-37.7173.91780000111V893 Y897 F1001 A1002 A1005V893-V908 HydrophobicContact CG1-CB 4.5Å; V893-V908 HydrophobicContact CG1-CG1 3.96Å; V893-V908 HydrophobicContact CG1-CG2 4.38Å; Y897-V908 HydrophobicContact CD1-CB 4.35Å; Y897-V908 HydrophobicContact CD1-CG2 3.3Å; Y897-V908 HydrophobicContact CD2-CG2 4.25Å; Y897-V908 HydrophobicContact CE1-CG2 4.16Å; Y897-V908 HydrophobicContact CG-CG2 3.33Å; V908-F1001 HydrophobicContact CG1-CE1 4.08Å; V908-A1002 WeakPolarHBondContact O-CA 3.46Å; V908-A1002 WeakPolarHBondContact O-CB 3.26Å; V908-A1005 HydrophobicContact CG1-CB 4.36Å
909Y90.3Very high86.9Confident1 Ų134.8 Ų34.80%0.00418%0.177CC..SBendtrans-103.1162.7-176.5-47.4-61.5000110.7F890 V893 H894 T907 F913 A1005 Q1006 L1009F890-Y909 AromaticContact CD2-CD2 3.96Å; F890-Y909 HydrophobicContact CD2-CD2 3.96Å; F890-Y909 AromaticContact CD2-CE2 3.54Å; F890-Y909 HydrophobicContact CD2-CE2 3.54Å; F890-Y909 AromaticContact CE2-CD2 3.36Å; F890-Y909 HydrophobicContact CE2-CD2 3.36Å; F890-Y909 AromaticContact CE2-CE2 3.45Å; F890-Y909 HydrophobicContact CE2-CE2 3.45Å; F890-Y909 VanDerWaalsContact CE2-CE2 3.45Å; F890-Y909 HydrophobicContact CE2-CG 4.42Å; F890-Y909 HydrophobicContact CG-CE2 4.22Å; F890-Y909 AromaticContact CZ-CD2 3.82Å; F890-Y909 HydrophobicContact CZ-CD2 3.82Å; F890-Y909 HydrophobicContact CZ-CE2 4.06Å; V893-Y909 VanDerWaalsContact CB-OH 3.22Å; V893-Y909 WeakPolarHBondContact CB-OH 3.32Å; V893-Y909 HydrophobicContact CG1-CE1 4.42Å; V893-Y909 VanDerWaalsContact CG1-OH 3.28Å; V893-Y909 WeakPolarHBondContact CG1-OH 3.39Å; V893-Y909 WeakPolarHBondContact CG2-OH 3.21Å; H894-Y909 AromaticContact CE1-CD2 3.26Å; H894-Y909 WeakPolarHBondContact CE1-CD2 3.41Å; H894-Y909 AromaticContact CE1-CE2 3.37Å; H894-Y909 WeakPolarHBondContact CE1-CE2 3.34Å; H894-Y909 AromaticContact ND1-CE2 3.81Å; H894-Y909 AromaticContact NE2-CD2 3.79Å; T907-Y909 PolarHBondContact OG1-O 3.38Å; Y909-F913 HydrophobicContact CD1-CD1 4.39Å; Y909-F913 HydrophobicContact CD1-CE1 4.35Å; Y909-F913 HydrophobicContact CD2-CD1 4.35Å; Y909-F913 HydrophobicContact CD2-CE1 4.39Å; Y909-F913 AromaticContact CG-CD1 3.93Å; Y909-F913 HydrophobicContact CG-CD1 3.93Å; Y909-F913 HydrophobicContact CG-CE1 4.16Å; Y909-A1005 HydrophobicContact CD1-CB 4.45Å; Y909-A1005 HydrophobicContact CE1-CB 4.01Å; Y909-Q1006 HydrophobicContact CD1-CB 3.78Å; Y909-Q1006 HydrophobicContact CE1-CB 4.34Å; Y909-L1009 HydrophobicContact CE2-CD2 4.3Å
910D87.9Confident86.5Confident11 Ų1131.9 Ų31.96%0.05917%0.167CC..  trans-61.1140.3170175.443.2000111.7W912 F913 I914 Y1047 F1061D910-W912 PolarHBondContact O-N 3.42Å; D910-F913 HydrophobicContact CB-CB 4.17Å; D910-F913 WeakPolarHBondContact O-CA 3.27Å; D910-F913 WeakPolarHBondContact O-CB 3.46Å; D910-F913 PolarHBondContact O-N 3.26Å; D910-I914 WeakPolarHBondContact O-CG1 3.44Å; D910-I914 PolarHBondContact O-N 3.23Å; D910-Y1047 VanDerWaalsContact CB-OH 3.23Å; D910-Y1047 WeakPolarHBondContact CB-OH 3.13Å; D910-Y1047 VanDerWaalsContact CG-OH 3.25Å; D910-Y1047 WeakPolarHBondContact OD2-CE1 3.07Å; D910-Y1047 PolarHBondContact OD2-OH 3.15Å; D910-F1061 HydrophobicContact CB-CD2 4.38Å; D910-F1061 HydrophobicContact CB-CE2 3.95Å; D910-F1061 HydrophobicContact CB-CZ 4.43Å
911E83.2Confident86.5Confident72 Ų7227.7 Ų27.734%0.33615%0.149SC..Hα-helixtrans-58.8-37.4-174.9-69.3-173.4-155.200112.4L82 S83 I914 T915L82-E911 HydrophobicContact CD2-CG 4.33Å; S83-E911 PolarHBondContact OG-OE2 3.16Å; S83-E911 VanDerWaalsContact OG-OE2 3.05Å; E911-I914 PolarHBondContact O-N 3.17Å; E911-T915 PolarHBondContact O-N 3.42Å; E911-T915 VanDerWaalsContact O-N 3.12Å; E911-T915 PolarHBondContact O-OG1 2.85Å
912W83.9Confident86.7Confident63 Ų6326.6 Ų26.624%0.23914%0.141CC..Hα-helixtrans-70.6-35.6176.5-74.3108.2000112.4F85 D910 T915 L916 M1046 V1058 F1059F85-W912 HydrophobicContact CE2-CH2 4.14Å; F85-W912 HydrophobicContact CE2-CZ2 4.39Å; F85-W912 HydrophobicContact CE2-CZ3 4.42Å; F85-W912 HydrophobicContact CZ-CZ2 4.42Å; D910-W912 PolarHBondContact O-N 3.42Å; W912-T915 PolarHBondContact O-N 2.69Å; W912-L916 WeakPolarHBondContact O-CB 3.4Å; W912-L916 WeakPolarHBondContact O-CG 3.28Å; W912-L916 PolarHBondContact O-N 3.39Å; W912-M1046 HydrophobicContact CB-CE 3.36Å; W912-M1046 HydrophobicContact CB-SD 4.1Å; W912-M1046 HydrophobicContact CD2-CE 3.27Å; W912-M1046 HydrophobicContact CE3-CE 3.75Å; W912-M1046 HydrophobicContact CG-CE 3.09Å; W912-M1046 HydrophobicContact CG-SD 4.39Å; W912-V1058 HydrophobicContact CZ2-CG1 3.6Å; W912-V1058 PolarHBondContact NE1-O 3.42Å; W912-F1059 AromaticContact CD1-CE1 3.83Å; W912-F1059 HydrophobicContact CD2-CE1 4.46Å; W912-F1059 AromaticContact CE2-CE1 3.75Å; W912-F1059 HydrophobicContact CG-CE1 4.49Å; W912-F1059 HydrophobicContact CZ2-CE1 4.21Å; W912-F1059 HydrophobicContact CZ2-CZ 4.26Å; W912-F1059 AromaticContact NE1-CD1 3.73Å; W912-F1059 AromaticContact NE1-CE1 3.31Å; W912-F1059 VanDerWaalsContact NE1-CE1 3.31Å
913F87.6Confident86.7Confident3 Ų326.3 Ų26.31%0.01314%0.137CC..Hα-helixtrans-62.8-46171.6-178.9-96.5000111.2F890 Y909 D910 T915 L916 Y917 Y921 Q1006 L1009 Y1039F890-F913 HydrophobicContact CD2-CE1 4.49Å; F890-F913 HydrophobicContact CE2-CD1 4.41Å; F890-F913 HydrophobicContact CE2-CE1 4.16Å; Y909-F913 HydrophobicContact CD1-CD1 4.39Å; Y909-F913 HydrophobicContact CD1-CE1 4.35Å; Y909-F913 HydrophobicContact CD2-CD1 4.35Å; Y909-F913 HydrophobicContact CD2-CE1 4.39Å; Y909-F913 AromaticContact CG-CD1 3.93Å; Y909-F913 HydrophobicContact CG-CD1 3.93Å; Y909-F913 HydrophobicContact CG-CE1 4.16Å; D910-F913 HydrophobicContact CB-CB 4.17Å; D910-F913 WeakPolarHBondContact O-CA 3.27Å; D910-F913 WeakPolarHBondContact O-CB 3.46Å; D910-F913 PolarHBondContact O-N 3.26Å; F913-T915 VanDerWaalsContact C-N 3.25Å; F913-T915 PolarHBondContact O-N 2.9Å; F913-L916 PolarHBondContact O-N 2.92Å; F913-Y917 AromaticContact CE1-CD2 3.98Å; F913-Y917 HydrophobicContact CE1-CD2 3.98Å; F913-Y917 HydrophobicContact CE1-CG 4.35Å; F913-Y917 HydrophobicContact CE2-CD2 4.4Å; F913-Y917 AromaticContact CZ-CD2 3.66Å; F913-Y917 HydrophobicContact CZ-CD2 3.66Å; F913-Y917 HydrophobicContact CZ-CE2 4.34Å; F913-Y917 HydrophobicContact CZ-CG 4.41Å; F913-Y917 WeakPolarHBondContact O-CA 3.5Å; F913-Y917 WeakPolarHBondContact O-CB 3.03Å; F913-Y917 PolarHBondContact O-N 2.74Å; F913-Y921 HydrophobicContact CD2-CD2 4.07Å; F913-Y921 AromaticContact CD2-CE2 3.86Å; F913-Y921 HydrophobicContact CD2-CE2 3.86Å; F913-Y921 HydrophobicContact CE2-CD2 4.04Å; F913-Y921 HydrophobicContact CE2-CE2 4.26Å; F913-Q1006 VanDerWaalsContact CB-OE1 3.28Å; F913-Q1006 HydrophobicContact CD1-CB 3.79Å; F913-Q1006 HydrophobicContact CD2-CB 3.98Å; F913-Q1006 HydrophobicContact CD2-CG 4.36Å; F913-Q1006 HydrophobicContact CE1-CB 3.66Å; F913-Q1006 HydrophobicContact CE2-CB 3.86Å; F913-Q1006 HydrophobicContact CE2-CG 4.47Å; F913-Q1006 HydrophobicContact CG-CB 3.94Å; F913-Q1006 HydrophobicContact CZ-CB 3.69Å; F913-L1009 HydrophobicContact CE1-CD2 4.25Å; F913-L1009 HydrophobicContact CZ-CD2 4.44Å; F913-Y1039 HydrophobicContact CD2-CD2 4.23Å; F913-Y1039 AromaticContact CD2-CE2 3.73Å; F913-Y1039 HydrophobicContact CD2-CE2 3.73Å; F913-Y1039 HydrophobicContact CE2-CD2 4.12Å; F913-Y1039 AromaticContact CE2-CE2 3.72Å; F913-Y1039 HydrophobicContact CE2-CE2 3.72Å
914I85.8Confident86.6Confident23 Ų2328.4 Ų28.412%0.11815%0.15CC..Hα-helixtrans-54.5-44.7176.7-62.8175.8000110.7L82 F890 T907 D910 E911L82-I914 HydrophobicContact CD2-CD1 3.91Å; F890-I914 HydrophobicContact CZ-CB 4.27Å; F890-I914 HydrophobicContact CZ-CG1 3.97Å; F890-I914 HydrophobicContact CZ-CG2 4.06Å; T907-I914 HydrophobicContact CG2-CD1 3.87Å; D910-I914 WeakPolarHBondContact O-CG1 3.44Å; D910-I914 PolarHBondContact O-N 3.23Å; E911-I914 PolarHBondContact O-N 3.17Å
915T81.4Confident86.9Confident16 Ų1625.3 Ų25.310%0.09813%0.128CC..Hα-helixtrans-69.2-45.4-178.6-52.10000112.4T86 E911 W912 F913T86-T915 VanDerWaalsContact CG2-OG1 3.26Å; T86-T915 WeakPolarHBondContact CG2-OG1 3.33Å; E911-T915 PolarHBondContact O-N 3.42Å; E911-T915 VanDerWaalsContact O-N 3.12Å; E911-T915 PolarHBondContact O-OG1 2.85Å; W912-T915 PolarHBondContact O-N 2.69Å; F913-T915 VanDerWaalsContact C-N 3.25Å; F913-T915 PolarHBondContact O-N 2.9Å
916L85.7Confident87Confident29 Ų2925.1 Ų25.115%0.15213%0.126CC..Hα-helixtrans-84-20.4-174.8-66175.2000113.7W912 F913 N918 L919 V920 Y921 I1042W912-L916 WeakPolarHBondContact O-CB 3.4Å; W912-L916 WeakPolarHBondContact O-CG 3.28Å; W912-L916 PolarHBondContact O-N 3.39Å; F913-L916 PolarHBondContact O-N 2.92Å; L916-N918 PolarHBondContact O-N 2.95Å; L916-L919 PolarHBondContact O-N 3.41Å; L916-V920 HydrophobicContact CD2-CG2 3.98Å; L916-V920 PolarHBondContact O-N 2.91Å; L916-Y921 HydrophobicContact CB-CD2 4.02Å; L916-Y921 HydrophobicContact CB-CE1 4.35Å; L916-Y921 HydrophobicContact CB-CE2 3.48Å; L916-Y921 VanDerWaalsContact CB-CE2 3.48Å; L916-Y921 HydrophobicContact CD1-CE2 4.45Å; L916-Y921 WeakPolarHBondContact CD1-OH 3.48Å; L916-Y921 PolarHBondContact O-N 3.49Å; L916-Y921 VanDerWaalsContact O-N 3.07Å; L916-I1042 HydrophobicContact CD1-CG2 4.04Å
917Y87.5Confident87.1Confident0 Ų022.1 Ų22.10%011%0.113CC..Iπ-helixtrans-54.7-50.7-179.4176.1-105.2000112.1K886 F890 F913 T922 L1009K886-Y917 PolarHBondContact O-OH 3.43Å; F890-Y917 HydrophobicContact CB-CD1 4.5Å; F890-Y917 HydrophobicContact CB-CE1 3.74Å; F890-Y917 AromaticContact CD2-CD1 3.66Å; F890-Y917 HydrophobicContact CD2-CD1 3.66Å; F890-Y917 HydrophobicContact CD2-CD2 4.49Å; F890-Y917 AromaticContact CD2-CE1 3.69Å; F890-Y917 HydrophobicContact CD2-CE1 3.69Å; F890-Y917 HydrophobicContact CD2-CG 4.08Å; F890-Y917 HydrophobicContact CE2-CD1 4.05Å; F890-Y917 HydrophobicContact CE2-CG 4.24Å; F890-Y917 HydrophobicContact CG-CD1 4.09Å; F890-Y917 AromaticContact CG-CE1 3.82Å; F890-Y917 HydrophobicContact CG-CE1 3.82Å; F913-Y917 AromaticContact CE1-CD2 3.98Å; F913-Y917 HydrophobicContact CE1-CD2 3.98Å; F913-Y917 HydrophobicContact CE1-CG 4.35Å; F913-Y917 HydrophobicContact CE2-CD2 4.4Å; F913-Y917 AromaticContact CZ-CD2 3.66Å; F913-Y917 HydrophobicContact CZ-CD2 3.66Å; F913-Y917 HydrophobicContact CZ-CE2 4.34Å; F913-Y917 HydrophobicContact CZ-CG 4.41Å; F913-Y917 WeakPolarHBondContact O-CA 3.5Å; F913-Y917 WeakPolarHBondContact O-CB 3.03Å; F913-Y917 PolarHBondContact O-N 2.74Å; Y917-T922 HydrophobicContact CD2-CG2 3.76Å; Y917-T922 HydrophobicContact CE2-CG2 3.37Å; Y917-T922 HydrophobicContact CG-CG2 4.49Å; Y917-T922 PolarHBondContact O-N 3.02Å; Y917-T922 PolarHBondContact O-OG1 3.26Å; Y917-L1009 HydrophobicContact CD2-CD2 4.44Å; Y917-L1009 HydrophobicContact CE2-CD2 3.79Å; Y917-L1009 HydrophobicContact CE2-CG 4.19Å
918N83.2Confident87.2Confident20 Ų2021.8 Ų21.811%0.10711%0.111CC..Iπ-helixtrans-87.1-13.8-177.1-87.1-27000114.5S347 K886 N887 L916S347-N918 PolarHBondContact OG-O 3.04Å; S347-N918 VanDerWaalsContact OG-O 3.13Å; K886-N918 PolarHBondContact NZ-OD1 3.35Å; N887-N918 VanDerWaalsContact OD1-CG 3.3Å; N887-N918 PolarHBondContact OD1-ND2 3.11Å; N887-N918 PolarHBondContact OD1-OD1 2.82Å; L916-N918 PolarHBondContact O-N 2.95Å
919L79.8Confident87.2Confident57 Ų5722 Ų2230%0.29811%0.112SC..Iπ-helixtrans-100.1-37.8-176.6-176.264.2000113.2L916 S923L916-L919 PolarHBondContact O-N 3.41Å; L919-S923 PolarHBondContact O-OG 2.96Å
920V83.9Confident87.2Confident41 Ų4122 Ų2225%0.24811%0.112CC..Iπ-helixtrans-124.2-58.4-173.4-177.50000111.3L916 T922 S923 L924L916-V920 HydrophobicContact CD2-CG2 3.98Å; L916-V920 PolarHBondContact O-N 2.91Å; V920-T922 PolarHBondContact O-N 2.73Å; V920-S923 PolarHBondContact N-OG 3.36Å; V920-S923 PolarHBondContact O-OG 3.3Å; V920-L924 HydrophobicContact CG1-CD1 4.48Å
921Y89.3Confident87.4Confident2 Ų222.7 Ų22.71%0.00812%0.116CC..Iπ-helixtrans-67.8-34.4-165.3-55.5-37.5000114.1F913 L916 S1035 Y1039 I1042F913-Y921 HydrophobicContact CD2-CD2 4.07Å; F913-Y921 AromaticContact CD2-CE2 3.86Å; F913-Y921 HydrophobicContact CD2-CE2 3.86Å; F913-Y921 HydrophobicContact CE2-CD2 4.04Å; F913-Y921 HydrophobicContact CE2-CE2 4.26Å; L916-Y921 HydrophobicContact CB-CD2 4.02Å; L916-Y921 HydrophobicContact CB-CE1 4.35Å; L916-Y921 HydrophobicContact CB-CE2 3.48Å; L916-Y921 VanDerWaalsContact CB-CE2 3.48Å; L916-Y921 HydrophobicContact CD1-CE2 4.45Å; L916-Y921 WeakPolarHBondContact CD1-OH 3.48Å; L916-Y921 PolarHBondContact O-N 3.49Å; L916-Y921 VanDerWaalsContact O-N 3.07Å; Y921-S1035 VanDerWaalsContact CA-OG 3.27Å; Y921-S1035 WeakPolarHBondContact CA-OG 3.41Å; Y921-S1035 PolarHBondContact O-OG 3.01Å; Y921-Y1039 HydrophobicContact CD2-CD2 4.19Å; Y921-Y1039 HydrophobicContact CE1-CD2 4.37Å; Y921-Y1039 AromaticContact CE2-CD2 3.89Å; Y921-Y1039 HydrophobicContact CE2-CD2 3.89Å; Y921-Y1039 AromaticContact CZ-CD2 3.99Å; Y921-I1042 HydrophobicContact CE1-CD1 3.93Å; Y921-I1042 VanDerWaalsContact OH-CG2 3.24Å; Y921-I1042 WeakPolarHBondContact OH-CG2 3.28Å
922T89.9Confident87.8Confident2 Ų222.6 Ų22.61%0.01211%0.114CC..THydrogen-bonded Turntrans-116.8-9.5-178.164.70000114.1K886 Y917 V920 I926 L1010 V1013K886-T922 PolarHBondContact NZ-OG1 2.94Å; Y917-T922 HydrophobicContact CD2-CG2 3.76Å; Y917-T922 HydrophobicContact CE2-CG2 3.37Å; Y917-T922 HydrophobicContact CG-CG2 4.49Å; Y917-T922 PolarHBondContact O-N 3.02Å; Y917-T922 PolarHBondContact O-OG1 3.26Å; V920-T922 PolarHBondContact O-N 2.73Å; T922-I926 WeakPolarHBondContact O-CG2 3.24Å; T922-L1010 HydrophobicContact CG2-CD1 3.86Å; T922-V1013 HydrophobicContact CG2-CG1 4.23Å
923S87.1Confident88.2Confident6 Ų620 Ų204%0.04211%0.105CC..Hα-helixtrans-80.7-45-17958.10000112.7L919 V920 I926 L927L919-S923 PolarHBondContact O-OG 2.96Å; V920-S923 PolarHBondContact N-OG 3.36Å; V920-S923 PolarHBondContact O-OG 3.3Å; S923-I926 WeakPolarHBondContact O-CG2 3.33Å; S923-I926 PolarHBondContact O-N 2.96Å; S923-L927 VanDerWaalsContact O-CB 3.32Å; S923-L927 WeakPolarHBondContact O-CB 3.4Å; S923-L927 WeakPolarHBondContact O-CG 3.34Å; S923-L927 PolarHBondContact O-N 3.48Å
924L88.2Confident88.3Confident75 Ų7523 Ų2339%0.39312%0.119SC..Hα-helixtrans-65.1-44.7-177.2-59.3175.8000112.3V920 I926 L927 S928 F1031V920-L924 HydrophobicContact CG1-CD1 4.48Å; L924-I926 PolarHBondContact O-N 3.46Å; L924-L927 PolarHBondContact O-N 2.91Å; L924-S928 PolarHBondContact O-N 3.45Å; L924-F1031 HydrophobicContact CB-CD1 4Å
925P91.3Very high88.5Confident4 Ų422.6 Ų22.63%0.02612%0.117CC..Hα-helixtrans-62.4-42.1176.6-24.135.9000113.2S928 L929 L1017 V1032P925-S928 WeakPolarHBondContact O-CB 3.35Å; P925-S928 PolarHBondContact O-N 3.18Å; P925-L929 PolarHBondContact O-N 2.97Å; P925-L1017 HydrophobicContact CB-CD2 3.32Å; P925-V1032 HydrophobicContact CB-CG2 4.13Å
926I91.4Very high88.9Confident0 Ų022.2 Ų22.20%012%0.115CC..Hα-helixtrans-72.9-31.6-179.4-168.855.6000112.3F879 Y882 F883 T922 S923 L924 L929 G930 L1017F879-I926 HydrophobicContact CD2-CD1 4.36Å; F879-I926 HydrophobicContact CD2-CG1 3.6Å; F879-I926 HydrophobicContact CD2-CG2 4.46Å; F879-I926 HydrophobicContact CE2-CG1 3.93Å; F879-I926 HydrophobicContact CE2-CG2 4.06Å; Y882-I926 HydrophobicContact CD1-CB 4.05Å; Y882-I926 HydrophobicContact CD1-CD1 3.25Å; Y882-I926 HydrophobicContact CD1-CG1 3.52Å; Y882-I926 HydrophobicContact CE1-CB 3.94Å; Y882-I926 HydrophobicContact CE1-CD1 3.88Å; Y882-I926 HydrophobicContact CE1-CG1 3.95Å; Y882-I926 HydrophobicContact CG-CD1 3.73Å; Y882-I926 HydrophobicContact CG-CG1 4.44Å; F883-I926 HydrophobicContact CD2-CG2 4.42Å; T922-I926 WeakPolarHBondContact O-CG2 3.24Å; S923-I926 WeakPolarHBondContact O-CG2 3.33Å; S923-I926 PolarHBondContact O-N 2.96Å; L924-I926 PolarHBondContact O-N 3.46Å; I926-L929 HydrophobicContact CD1-CB 4.35Å; I926-L929 HydrophobicContact CD1-CD2 4.33Å; I926-L929 PolarHBondContact O-N 3.47Å; I926-G930 PolarHBondContact O-N 3.3Å; I926-L1017 HydrophobicContact CD1-CD1 3.69Å
927L91.6Very high89Confident29 Ų2925.2 Ų25.215%0.15213%0.131CC..Hα-helixtrans-65-41170.9-76172.9000111.3V354 I355 S923 L924 G930 L931V354-L927 HydrophobicContact CB-CD2 4.2Å; V354-L927 HydrophobicContact CG1-CD2 4.11Å; I355-L927 HydrophobicContact CD1-CD2 4.25Å; I355-L927 HydrophobicContact CG1-CD2 4.03Å; S923-L927 VanDerWaalsContact O-CB 3.32Å; S923-L927 WeakPolarHBondContact O-CB 3.4Å; S923-L927 WeakPolarHBondContact O-CG 3.34Å; S923-L927 PolarHBondContact O-N 3.48Å; L924-L927 PolarHBondContact O-N 2.91Å; L927-G930 PolarHBondContact O-N 2.66Å; L927-L931 WeakPolarHBondContact O-CB 3.31Å; L927-L931 WeakPolarHBondContact O-CG 3.42Å; L927-L931 PolarHBondContact O-N 3.29Å
928S91.3Very high89.1Confident4 Ų426.5 Ų26.53%0.02814%0.138CC..Hα-helixtrans-59.3-47174-168.30000111.4L924 P925 G930 L931 F932 N1028 F1031L924-S928 PolarHBondContact O-N 3.45Å; P925-S928 WeakPolarHBondContact O-CB 3.35Å; P925-S928 PolarHBondContact O-N 3.18Å; S928-G930 PolarHBondContact O-N 3.35Å; S928-L931 PolarHBondContact O-N 3.26Å; S928-F932 WeakPolarHBondContact O-CD2 3.42Å; S928-F932 PolarHBondContact O-N 2.86Å; S928-N1028 PolarHBondContact O-OD1 3.04Å; S928-N1028 PolarHBondContact OG-OD1 2.91Å; S928-F1031 WeakPolarHBondContact OG-CD2 3.38Å
929L91.4Very high89.3Confident4 Ų431.3 Ų31.32%0.02116%0.155CC..Hα-helixtrans-59.3-47.4174.1-175.2156.4000111.2K878 P925 I926 L931 D933 L1017 T1021K878-L929 HydrophobicContact CB-CD2 4.04Å; K878-L929 HydrophobicContact CD-CD2 4.34Å; P925-L929 PolarHBondContact O-N 2.97Å; I926-L929 HydrophobicContact CD1-CB 4.35Å; I926-L929 HydrophobicContact CD1-CD2 4.33Å; I926-L929 PolarHBondContact O-N 3.47Å; L929-L931 PolarHBondContact O-N 2.76Å; L929-D933 HydrophobicContact CD2-CB 4.39Å; L929-D933 HydrophobicContact CG-CB 4.17Å; L929-D933 WeakPolarHBondContact O-CB 3.36Å; L929-D933 PolarHBondContact O-N 2.89Å; L929-D933 VanDerWaalsContact O-N 3.13Å; L929-L1017 HydrophobicContact CB-CD1 4.35Å; L929-L1017 HydrophobicContact CD1-CD1 3.43Å; L929-L1017 VanDerWaalsContact CD1-CD1 3.43Å; L929-L1017 HydrophobicContact CD1-CG 4.3Å; L929-L1017 HydrophobicContact CG-CD1 4.49Å; L929-T1021 WeakPolarHBondContact CD1-OG1 3.27Å
930G90.6Very high89.7Confident0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-63.4-19.2-179.400000114.8I355 R875 I926 L927 S928I355-G930 WeakPolarHBondContact CG2-O 3.38Å; R875-G930 WeakPolarHBondContact CB-O 3.32Å; R875-G930 WeakPolarHBondContact CD-O 3.37Å; I926-G930 PolarHBondContact O-N 3.3Å; L927-G930 PolarHBondContact O-N 2.66Å; S928-G930 PolarHBondContact O-N 3.35Å
931L91.9Very high90Very high26 Ų2627.1 Ų27.114%0.13613%0.13CC..Hα-helixtrans-102.4-43.2178.9-71.8173000113F362 R875 L927 S928 L929F362-L931 HydrophobicContact CE2-CB 4.41Å; F362-L931 HydrophobicContact CE2-CD2 4.42Å; F362-L931 WeakPolarHBondContact CE2-O 2.91Å; R875-L931 VanDerWaalsContact CZ-O 3.27Å; R875-L931 PolarHBondContact NH1-O 3.43Å; L927-L931 WeakPolarHBondContact O-CB 3.31Å; L927-L931 WeakPolarHBondContact O-CG 3.42Å; L927-L931 PolarHBondContact O-N 3.29Å; S928-L931 PolarHBondContact O-N 3.26Å; L929-L931 PolarHBondContact O-N 2.76Å
932F91.8Very high90Very high71 Ų7129.4 Ų29.431%0.31114%0.14SC..Hα-helixtrans-107.9-9.3-166.1-59.8-71.9000114.7F362 S928 V1027F362-F932 HydrophobicContact CE1-CE1 4.39Å; F362-F932 HydrophobicContact CZ-CD1 4.1Å; F362-F932 AromaticContact CZ-CE1 3.71Å; F362-F932 HydrophobicContact CZ-CE1 3.71Å; F362-F932 HydrophobicContact CZ-CZ 4.41Å; S928-F932 WeakPolarHBondContact O-CD2 3.42Å; S928-F932 PolarHBondContact O-N 2.86Å; F932-V1027 HydrophobicContact CD2-CG1 3.8Å; F932-V1027 HydrophobicContact CE2-CG1 3.7Å; F932-V1027 HydrophobicContact CG-CG1 4.49Å; F932-V1027 HydrophobicContact CZ-CG1 4.3Å
933D91.5Very high89.9Confident7 Ų733.2 Ų33.24%0.03716%0.158CC..  trans-67.6139.1-179.1-16438.3000111.6R875 K878 L929 Y1022 A1023R875-D933 PolarHBondContact NE-O 3.24Å; R875-D933 PolarHBondContact NH2-O 3.48Å; R875-D933 VanDerWaalsContact NH2-O 3.14Å; K878-D933 IonicContact NZ-OD2 3.43Å; K878-D933 PolarHBondContact NZ-OD2 2.7Å; L929-D933 HydrophobicContact CD2-CB 4.39Å; L929-D933 HydrophobicContact CG-CB 4.17Å; L929-D933 WeakPolarHBondContact O-CB 3.36Å; L929-D933 PolarHBondContact O-N 2.89Å; L929-D933 VanDerWaalsContact O-N 3.13Å; D933-Y1022 PolarHBondContact OD1-N 3.4Å; D933-A1023 PolarHBondContact OD1-N 3.49Å; D933-A1023 VanDerWaalsContact OD1-N 3.11Å
934Q90.7Very high90.1Very high68 Ų6835 Ų3532%0.31816%0.164SC..  trans-139.5127.9178.3-65.8178.322.100107.7W871W871-Q934 HydrophobicContact CD2-CG 4.49Å; W871-Q934 HydrophobicContact CZ2-CG 4.29Å
935D88.4Confident90.2Very high14 Ų1431.9 Ų31.98%0.07515%0.148CC..SBendtrans-80.2-45.5178.665-26.8000111.9R870 L874 Y1022 N1104R870-D935 IonicContact CZ-OD1 2.72Å; R870-D935 IonicContact CZ-OD2 2.65Å; R870-D935 IonicContact NH1-OD1 3.08Å; R870-D935 PolarHBondContact NH1-OD1 3.04Å; R870-D935 IonicContact NH1-OD2 3.27Å; R870-D935 PolarHBondContact NH1-OD2 3.34Å; R870-D935 IonicContact NH2-OD1 3.13Å; R870-D935 PolarHBondContact NH2-OD1 2.8Å; L874-D935 HydrophobicContact CD1-CB 4.38Å; L874-D935 VanDerWaalsContact CD1-OD2 3.24Å; L874-D935 WeakPolarHBondContact CD1-OD2 3.28Å; D935-Y1022 HydrophobicContact CB-CD2 3.48Å; D935-Y1022 VanDerWaalsContact CB-CD2 3.48Å; D935-Y1022 HydrophobicContact CB-CE2 3.83Å; D935-Y1022 HydrophobicContact CB-CG 4.35Å; D935-N1104 PolarHBondContact OD2-ND2 3.25Å
936V90Very high90.2Very high7 Ų737 Ų374%0.04217%0.172CC..SBendtrans-139153.1172.3-59.50000110.4W871 W940 L947 V1107 R1108 T1111W871-V936 WeakPolarHBondContact CZ2-O 3.47Å; W871-V936 PolarHBondContact NE1-O 3.11Å; V936-W940 HydrophobicContact CB-CB 4.15Å; V936-W940 HydrophobicContact CG2-CB 4.32Å; V936-L947 HydrophobicContact CG2-CD1 3.82Å; V936-V1107 HydrophobicContact CG1-CG1 4.38Å; V936-R1108 HydrophobicContact CG1-CG 3.98Å; V936-T1111 HydrophobicContact CG1-CG2 4.26Å
937N89Confident90.2Very high92 Ų9237.4 Ų37.449%0.49217%0.174SC..  trans-66.2161.3176.8-69.3-17.7000112.1R939 W940 S941N937-R939 VanDerWaalsContact C-N 3.27Å; N937-R939 PolarHBondContact O-N 3.18Å; N937-W940 PolarHBondContact O-N 3.13Å; N937-S941 PolarHBondContact O-N 3.4Å
938D88.6Confident90.3Very high27 Ų2736.1 Ų36.114%0.14417%0.167CC..Hα-helixtrans-57-35.6-177.368.1-22.5000113.7K368 R863 V867 W871 S941 F942K368-D938 IonicContact NZ-OD2 3.18Å; K368-D938 PolarHBondContact NZ-OD2 3.08Å; R863-D938 IonicContact CZ-OD2 2.85Å; R863-D938 IonicContact NH1-OD2 2.77Å; R863-D938 PolarHBondContact NH1-OD2 2.69Å; R863-D938 IonicContact NH2-OD2 3.54Å; R863-D938 PolarHBondContact NH2-OD2 3.09Å; V867-D938 HydrophobicContact CG1-CB 3.96Å; V867-D938 HydrophobicContact CG2-CB 4.1Å; W871-D938 HydrophobicContact CH2-CB 4.16Å; W871-D938 HydrophobicContact CZ2-CB 4.45Å; D938-S941 VanDerWaalsContact O-CB 3.24Å; D938-S941 WeakPolarHBondContact O-CB 3.24Å; D938-S941 PolarHBondContact O-N 2.82Å; D938-F942 WeakPolarHBondContact O-CD2 3.32Å; D938-F942 PolarHBondContact O-N 3.48Å
939R88.4Confident90.2Very high122 Ų12237.2 Ų37.246%0.4618%0.175SC..Hα-helixtrans-63.3-47.4177.9-59.9-171.9-175-178.82.8113.4N937 S941 F942 E943 P1117N937-R939 VanDerWaalsContact C-N 3.27Å; N937-R939 PolarHBondContact O-N 3.18Å; R939-S941 PolarHBondContact O-N 3.08Å; R939-F942 PolarHBondContact O-N 3.38Å; R939-F942 VanDerWaalsContact O-N 3.11Å; R939-E943 PolarHBondContact O-N 3.3Å; R939-E943 VanDerWaalsContact O-N 3.15Å; R939-P1117 HydrophobicContact CB-CG 4.04Å
940W88.3Confident90Very high9 Ų937.7 Ų37.73%0.03418%0.178CC..Hα-helixtrans-64.9-30.8177.6-71.6108.5000111.8V936 N937 F942 E943 Y944 T1111 E1114 P1117V936-W940 HydrophobicContact CB-CB 4.15Å; V936-W940 HydrophobicContact CG2-CB 4.32Å; N937-W940 PolarHBondContact O-N 3.13Å; W940-F942 VanDerWaalsContact C-N 3.27Å; W940-F942 PolarHBondContact O-N 3.22Å; W940-E943 VanDerWaalsContact CE3-OE2 3.3Å; W940-E943 VanDerWaalsContact CZ3-OE2 3.25Å; W940-E943 WeakPolarHBondContact CZ3-OE2 3.48Å; W940-E943 PolarHBondContact O-N 3.3Å; W940-Y944 HydrophobicContact CE3-CD2 4.04Å; W940-Y944 AromaticContact CE3-CE2 3.72Å; W940-Y944 HydrophobicContact CE3-CE2 3.72Å; W940-Y944 AromaticContact CZ3-CE2 3.78Å; W940-Y944 HydrophobicContact CZ3-CE2 3.78Å; W940-Y944 PolarHBondContact O-N 2.94Å; W940-T1111 HydrophobicContact CB-CG2 4.39Å; W940-T1111 HydrophobicContact CD2-CG2 3.57Å; W940-T1111 HydrophobicContact CE3-CG2 4.17Å; W940-T1111 HydrophobicContact CG-CG2 3.67Å; W940-T1111 HydrophobicContact CZ2-CG2 4.18Å; W940-E1114 HydrophobicContact CH2-CB 3.9Å; W940-E1114 HydrophobicContact CZ2-CB 4.33Å; W940-P1117 HydrophobicContact CD2-CG 4.29Å; W940-P1117 VanDerWaalsContact CE2-CD 3.48Å; W940-P1117 HydrophobicContact CE3-CG 4.41Å
941S89.9Confident89.9Confident1 Ų137.9 Ų37.91%0.00718%0.18CC..Hα-helixtrans-62.3-32.1173.9-146.10000113.2L866 R870 N937 D938 R939L866-S941 PolarHBondContact O-OG 3.23Å; R870-S941 PolarHBondContact NE-OG 3.01Å; R870-S941 PolarHBondContact NH2-OG 3.14Å; N937-S941 PolarHBondContact O-N 3.4Å; D938-S941 VanDerWaalsContact O-CB 3.24Å; D938-S941 WeakPolarHBondContact O-CB 3.24Å; D938-S941 PolarHBondContact O-N 2.82Å; R939-S941 PolarHBondContact O-N 3.08Å
942F89.3Confident89.8Confident49 Ų4938 Ų3822%0.21518%0.18CC..Hα-helixtrans-84.5-29.4175.2-71.7-65.6000113.2Q668 Q862 R863 L866 V867 D938 R939 W940Q668-F942 PolarHBondContact OE1-O 2.81Å; Q862-F942 HydrophobicContact CB-CE1 4.08Å; Q862-F942 HydrophobicContact CG-CE1 4.12Å; R863-F942 HydrophobicContact CB-CZ 3.96Å; R863-F942 HydrophobicContact CG-CZ 4.2Å; L866-F942 HydrophobicContact CD1-CD1 4.19Å; L866-F942 HydrophobicContact CD1-CE1 4.41Å; V867-F942 HydrophobicContact CG2-CE2 3.9Å; V867-F942 HydrophobicContact CG2-CZ 3.93Å; D938-F942 WeakPolarHBondContact O-CD2 3.32Å; D938-F942 PolarHBondContact O-N 3.48Å; R939-F942 PolarHBondContact O-N 3.38Å; R939-F942 VanDerWaalsContact O-N 3.11Å; W940-F942 VanDerWaalsContact C-N 3.27Å; W940-F942 PolarHBondContact O-N 3.22Å
943E87.8Confident89.4Confident83 Ų8340.6 Ų40.639%0.38820%0.196SC..Hα-helixtrans-71.8-36.2175.9-169.6-175.2161.700111.8R939 W940 P945 P1117R939-E943 PolarHBondContact O-N 3.3Å; R939-E943 VanDerWaalsContact O-N 3.15Å; W940-E943 VanDerWaalsContact CE3-OE2 3.3Å; W940-E943 VanDerWaalsContact CZ3-OE2 3.25Å; W940-E943 WeakPolarHBondContact CZ3-OE2 3.48Å; W940-E943 PolarHBondContact O-N 3.3Å; E943-P945 VanDerWaalsContact C-CD 3.45Å; E943-P945 WeakPolarHBondContact O-CD 3.49Å; E943-P1117 WeakPolarHBondContact OE2-CB 3.36Å; E943-P1117 WeakPolarHBondContact OE2-CG 3.26Å
944Y90.5Very high89.1Confident44 Ų4443.6 Ų43.617%0.17321%0.212CC..  trans-119.873.4178.1-61.5-86.6000112.1W940 Q946 L947 V1107 K1110W940-Y944 HydrophobicContact CE3-CD2 4.04Å; W940-Y944 AromaticContact CE3-CE2 3.72Å; W940-Y944 HydrophobicContact CE3-CE2 3.72Å; W940-Y944 AromaticContact CZ3-CE2 3.78Å; W940-Y944 HydrophobicContact CZ3-CE2 3.78Å; W940-Y944 PolarHBondContact O-N 2.94Å; Y944-Q946 PolarHBondContact O-N 2.73Å; Y944-L947 WeakPolarHBondContact O-CB 3.3Å; Y944-L947 WeakPolarHBondContact O-CG 3.29Å; Y944-L947 PolarHBondContact O-N 2.88Å; Y944-V1107 HydrophobicContact CD1-CG2 4.13Å; Y944-V1107 HydrophobicContact CD2-CG1 3.96Å; Y944-V1107 HydrophobicContact CD2-CG2 4.25Å; Y944-V1107 HydrophobicContact CE2-CG1 4.47Å; Y944-V1107 HydrophobicContact CG-CG1 4.38Å; Y944-V1107 HydrophobicContact CG-CG2 3.9Å; Y944-K1110 PolarHBondContact OH-NZ 3.2Å
945P91.3Very high88.7Confident8 Ų845.8 Ų45.85%0.05222%0.224CC..G310 helixtrans-57.9-23.4178-24.534.4000114K671 A672 L866 E943 L947 Y948K671-P945 HydrophobicContact CB-CB 4.14Å; K671-P945 HydrophobicContact CB-CG 4.11Å; A672-P945 HydrophobicContact CB-CB 3.89Å; L866-P945 HydrophobicContact CD1-CB 4.3Å; L866-P945 HydrophobicContact CD2-CB 4.47Å; E943-P945 VanDerWaalsContact C-CD 3.45Å; E943-P945 WeakPolarHBondContact O-CD 3.49Å; P945-L947 PolarHBondContact O-N 3.45Å; P945-Y948 WeakPolarHBondContact O-CB 3.21Å; P945-Y948 PolarHBondContact O-N 2.79Å
946Q90.1Very high88.4Confident111 Ų11147.6 Ų47.652%0.51923%0.23SC..G310 helixtrans-57.8-17.7174.8-64.5166.6-200113.6Y944 Y948 S949Y944-Q946 PolarHBondContact O-N 2.73Å; Q946-Y948 PolarHBondContact O-N 3.19Å; Q946-Y948 VanDerWaalsContact O-N 3.1Å; Q946-S949 PolarHBondContact O-N 3.25Å; Q946-S949 PolarHBondContact O-OG 3.12Å
947L91.8Very high87.9Confident9 Ų947.8 Ų47.85%0.04723%0.23CC..G310 helixtrans-61.9-12.4170.8-71.5173.3000113.4V936 Y944 P945 P950 I1103 N1104 V1107V936-L947 HydrophobicContact CG2-CD1 3.82Å; Y944-L947 WeakPolarHBondContact O-CB 3.3Å; Y944-L947 WeakPolarHBondContact O-CG 3.29Å; Y944-L947 PolarHBondContact O-N 2.88Å; P945-L947 PolarHBondContact O-N 3.45Å; L947-P950 WeakPolarHBondContact O-CD 3.44Å; L947-I1103 HydrophobicContact CD2-CG2 3.97Å; L947-N1104 HydrophobicContact CD2-CB 4.39Å; L947-V1107 HydrophobicContact CD1-CB 4.45Å; L947-V1107 HydrophobicContact CD1-CG1 4.14Å; L947-V1107 HydrophobicContact CD1-CG2 4.42Å; L947-V1107 HydrophobicContact CD2-CB 4.28Å; L947-V1107 HydrophobicContact CD2-CG2 4.02Å; L947-V1107 HydrophobicContact CG-CG2 4.34Å
948Y93.2Very high87.6Confident2 Ų245.1 Ų45.11%0.00822%0.219CC..G310 helixtrans-79.8-31.4176.1-166.1-94.3000113.3L389 G390 Q391 I392 A672 I674 L865 L866 R870 P945 Q946 P950 G951 Q952L389-Y948 WeakPolarHBondContact O-CE2 3.48Å; L389-Y948 PolarHBondContact O-OH 2.56Å; G390-Y948 VanDerWaalsContact C-CZ 3.49Å; G390-Y948 VanDerWaalsContact C-OH 3.27Å; Q391-Y948 PolarHBondContact N-OH 3.37Å; I392-Y948 WeakPolarHBondContact CB-OH 3.4Å; I392-Y948 PolarHBondContact N-OH 3.08Å; I392-Y948 WeakPolarHBondContact O-CE1 3.46Å; A672-Y948 HydrophobicContact CB-CG 4.5Å; I674-Y948 HydrophobicContact CD1-CD1 4.07Å; I674-Y948 HydrophobicContact CD1-CE1 3.86Å; I674-Y948 HydrophobicContact CG1-CD1 4.32Å; I674-Y948 HydrophobicContact CG1-CE1 4.18Å; L865-Y948 HydrophobicContact CB-CE2 4.34Å; L865-Y948 WeakPolarHBondContact O-CE2 3.23Å; L866-Y948 HydrophobicContact CD2-CD2 4.06Å; L866-Y948 HydrophobicContact CD2-CG 4.16Å; R870-Y948 HydrophobicContact CB-CD2 4.3Å; P945-Y948 WeakPolarHBondContact O-CB 3.21Å; P945-Y948 PolarHBondContact O-N 2.79Å; Q946-Y948 PolarHBondContact O-N 3.19Å; Q946-Y948 VanDerWaalsContact O-N 3.1Å; Y948-P950 VanDerWaalsContact C-CD 3.43Å; Y948-G951 PolarHBondContact O-N 3.29Å; Y948-Q952 HydrophobicContact CD1-CG 3.93Å; Y948-Q952 HydrophobicContact CE1-CG 3.78Å
949S89.6Confident87.4Confident27 Ų2750.6 Ų50.619%0.18924%0.242CC..Hα-helixtrans-56.6-36.9-174.8-49.60000115.5Q946 G951 Q952 L953Q946-S949 PolarHBondContact O-N 3.25Å; Q946-S949 PolarHBondContact O-OG 3.12Å; S949-G951 PolarHBondContact O-N 2.97Å; S949-G951 VanDerWaalsContact O-N 3.17Å; S949-Q952 PolarHBondContact O-N 3.46Å; S949-Q952 VanDerWaalsContact O-N 3.16Å; S949-L953 PolarHBondContact O-N 3.41Å; S949-L953 VanDerWaalsContact O-N 3.15Å
950P88.3Confident87.2Confident14 Ų1453.2 Ų53.29%0.09126%0.256CS..Hα-helixtrans-58.6-27.6174.9-27.337000114.3L947 Y948 N954 M955 Y956L947-P950 WeakPolarHBondContact O-CD 3.44Å; Y948-P950 VanDerWaalsContact C-CD 3.43Å; P950-N954 PolarHBondContact O-N 3.44Å; P950-M955 HydrophobicContact CB-SD 4.2Å; P950-M955 PolarHBondContact O-N 3.38Å; P950-M955 VanDerWaalsContact O-N 3.17Å; P950-Y956 HydrophobicContact CB-CD2 4.42Å; P950-Y956 HydrophobicContact CB-CE2 3.63Å
951G88.4Confident87Confident4 Ų453.8 Ų53.84%0.04126%0.263CS..Hα-helixtrans-71.1-4517500000112.7G390 Y873 Y948 S949 L953 N954G390-G951 WeakPolarHBondContact O-CA 3.37Å; Y873-G951 VanDerWaalsContact CE1-CA 3.45Å; Y948-G951 PolarHBondContact O-N 3.29Å; S949-G951 PolarHBondContact O-N 2.97Å; S949-G951 VanDerWaalsContact O-N 3.17Å; G951-L953 VanDerWaalsContact C-N 3.26Å; G951-L953 PolarHBondContact O-N 3.01Å; G951-N954 PolarHBondContact O-N 3.27Å; G951-N954 VanDerWaalsContact O-N 3.15Å
952Q88.4Confident86.8Confident28 Ų2854.9 Ų54.913%0.13127%0.268CS..Hα-helixtrans-60.8-35.7176-62.9171.5-31.800112.3I392 A672 D673 Y948 S949 N954I392-Q952 PolarHBondContact O-NE2 3.44Å; A672-Q952 PolarHBondContact O-NE2 3.17Å; D673-Q952 PolarHBondContact O-NE2 3.1Å; Y948-Q952 HydrophobicContact CD1-CG 3.93Å; Y948-Q952 HydrophobicContact CE1-CG 3.78Å; S949-Q952 PolarHBondContact O-N 3.46Å; S949-Q952 VanDerWaalsContact O-N 3.16Å; Q952-N954 VanDerWaalsContact C-N 3.32Å; Q952-N954 PolarHBondContact O-N 3.24Å
953L85.1Confident86.8Confident126 Ų12656.3 Ų56.366%0.6628%0.28SS*.THydrogen-bonded Turntrans-84.30.4179.9-64.8176.9000114.3S949 G951 M955S949-L953 PolarHBondContact O-N 3.41Å; S949-L953 VanDerWaalsContact O-N 3.15Å; G951-L953 VanDerWaalsContact C-N 3.26Å; G951-L953 PolarHBondContact O-N 3.01Å; L953-M955 VanDerWaalsContact C-N 3.26Å; L953-M955 HydrophobicContact CB-CG 3.88Å; L953-M955 HydrophobicContact CD1-SD 4.4Å; L953-M955 PolarHBondContact O-N 2.87Å
954N84.5Confident86.8Confident70 Ų7058.1 Ų58.137%0.37429%0.288SS..THydrogen-bonded Turntrans5437.9-177.7-67.2-51.7000114.3Q391 Y873 P950 G951 Q952Q391-N954 PolarHBondContact NE2-OD1 2.94Å; Y873-N954 WeakPolarHBondContact OH-CA 3.48Å; P950-N954 PolarHBondContact O-N 3.44Å; G951-N954 PolarHBondContact O-N 3.27Å; G951-N954 VanDerWaalsContact O-N 3.15Å; Q952-N954 VanDerWaalsContact C-N 3.32Å; Q952-N954 PolarHBondContact O-N 3.24Å
955M82.2Confident86.7Confident115 Ų11556.5 Ų56.557%0.56728%0.284SS*.  trans-69.3-37.2-173.8-68.5-174.371.600112.9P950 L953P950-M955 HydrophobicContact CB-SD 4.2Å; P950-M955 PolarHBondContact O-N 3.38Å; P950-M955 VanDerWaalsContact O-N 3.17Å; L953-M955 VanDerWaalsContact C-N 3.26Å; L953-M955 HydrophobicContact CB-CG 3.88Å; L953-M955 HydrophobicContact CD1-SD 4.4Å; L953-M955 PolarHBondContact O-N 2.87Å
956Y80.9Confident86.7Confident52 Ų5258.8 Ų58.820%0.20429%0.294CS..SBendtrans-78.9-38.1-172.9-63.5-75.7000113Y873 L874 Q881 P950Y873-Y956 HydrophobicContact CD1-CD2 4.46Å; Y873-Y956 AromaticContact CE1-CD2 3.84Å; Y873-Y956 HydrophobicContact CE1-CD2 3.84Å; L874-Y956 HydrophobicContact CD2-CD1 4.32Å; L874-Y956 HydrophobicContact CD2-CD2 3.6Å; L874-Y956 HydrophobicContact CD2-CE1 4Å; L874-Y956 HydrophobicContact CD2-CE2 3.2Å; L874-Y956 HydrophobicContact CD2-CG 4.13Å; L874-Y956 VanDerWaalsContact CD2-CZ 3.43Å; Q881-Y956 PolarHBondContact NE2-O 3Å; P950-Y956 HydrophobicContact CB-CD2 4.42Å; P950-Y956 HydrophobicContact CB-CE2 3.63Å
957F80.3Confident86.8Confident10 Ų1058 Ų584%0.04430%0.297CS..SBendtrans-126.9100.3179.1-164.5-108.3000111.4L279 L283 C877 L880 Q881 F884L279-F957 HydrophobicContact CD2-CD1 3.49Å; L279-F957 VanDerWaalsContact CD2-CD1 3.49Å; L279-F957 HydrophobicContact CD2-CE1 3.51Å; L279-F957 HydrophobicContact CG-CD1 4.46Å; L279-F957 HydrophobicContact CG-CE1 4.02Å; L283-F957 HydrophobicContact CD1-CE1 3.93Å; L283-F957 HydrophobicContact CD1-CZ 3.63Å; C877-F957 HydrophobicContact CB-CB 4.03Å; C877-F957 VanDerWaalsContact SG-CB 3.54Å; L880-F957 HydrophobicContact CB-CD2 4.06Å; L880-F957 HydrophobicContact CB-CE2 3.66Å; L880-F957 HydrophobicContact CB-CZ 4.02Å; L880-F957 HydrophobicContact CD1-CD1 4.07Å; L880-F957 HydrophobicContact CD1-CD2 4.46Å; L880-F957 HydrophobicContact CD1-CE1 3.84Å; L880-F957 HydrophobicContact CD1-CE2 4.25Å; L880-F957 HydrophobicContact CD1-CG 4.39Å; L880-F957 HydrophobicContact CD1-CZ 3.95Å; Q881-F957 HydrophobicContact CG-CD2 4.16Å; F884-F957 HydrophobicContact CD2-CE2 4.38Å; F884-F957 HydrophobicContact CD2-CZ 4.45Å; F884-F957 HydrophobicContact CE2-CE2 4.34Å; F884-F957 AromaticContact CE2-CZ 3.97Å; F884-F957 HydrophobicContact CE2-CZ 3.97Å
958S83.1Confident86.8Confident36 Ų3659 Ų5925%0.25230%0.301SS..SBendtrans-138167.8-179.8710000111.2K960 A961 F962S958-K960 PolarHBondContact O-N 2.75Å; S958-A961 WeakPolarHBondContact O-CB 3.18Å; S958-A961 PolarHBondContact O-N 3.07Å; S958-A961 VanDerWaalsContact O-N 3.08Å; S958-A961 PolarHBondContact OG-N 3.22Å; S958-F962 PolarHBondContact O-N 3.35Å
959K83.5Confident86.8Confident143 Ų14359 Ų5962%0.62230%0.301SS*.Hα-helixtrans-55.9-34.1175.3-63.6179.3-177.21770112.4L279 F962 V963L279-K959 HydrophobicContact CD1-CG 4.37Å; K959-F962 PolarHBondContact O-N 2.63Å; K959-V963 WeakPolarHBondContact O-CG2 3.45Å; K959-V963 PolarHBondContact O-N 3.27Å; K959-V963 VanDerWaalsContact O-N 3.15Å
960K85.5Confident87Confident177 Ų17759.6 Ų59.677%0.7731%0.305SS*.Hα-helixtrans-67.2-44.1176.7-66.3-178.7180178.50111.5S958 F962 V963 H964S958-K960 PolarHBondContact O-N 2.75Å; K960-F962 VanDerWaalsContact C-N 3.27Å; K960-F962 PolarHBondContact O-N 3.37Å; K960-V963 PolarHBondContact O-N 3.1Å; K960-H964 PolarHBondContact O-N 2.85Å
961A84Confident87.3Confident21 Ų2163.5 Ų63.517%0.17432%0.319CS..Hα-helixtrans-61.8-37.7176.400000111.6S958 H964 C965S958-A961 WeakPolarHBondContact O-CB 3.18Å; S958-A961 PolarHBondContact O-N 3.07Å; S958-A961 VanDerWaalsContact O-N 3.08Å; S958-A961 PolarHBondContact OG-N 3.22Å; A961-H964 PolarHBondContact O-N 3.43Å; A961-C965 WeakPolarHBondContact O-CB 3.43Å; A961-C965 PolarHBondContact O-N 3.31Å
962F85.6Confident87.7Confident23 Ų2363.3 Ų63.310%0.10132%0.317CS..Hα-helixtrans-62.6-45.4174.4-179.4-95.2000112.6L283 I287 F884 F888 S958 K959 K960 C965 M966L283-F962 HydrophobicContact CD1-CD2 4.05Å; L283-F962 HydrophobicContact CD1-CG 4.46Å; L283-F962 HydrophobicContact CD2-CB 4.31Å; L283-F962 HydrophobicContact CD2-CD1 3.96Å; L283-F962 HydrophobicContact CD2-CD2 4.04Å; L283-F962 HydrophobicContact CD2-CE1 4.28Å; L283-F962 HydrophobicContact CD2-CE2 4.34Å; L283-F962 HydrophobicContact CD2-CG 3.83Å; L283-F962 HydrophobicContact CD2-CZ 4.45Å; I287-F962 HydrophobicContact CD1-CE2 4.07Å; I287-F962 HydrophobicContact CD1-CZ 3.97Å; I287-F962 HydrophobicContact CG1-CE2 4.44Å; I287-F962 HydrophobicContact CG1-CZ 3.83Å; F884-F962 HydrophobicContact CD1-CE2 4.14Å; F884-F962 HydrophobicContact CD2-CD2 4.34Å; F884-F962 HydrophobicContact CD2-CE2 4.38Å; F884-F962 HydrophobicContact CE1-CE2 4.41Å; F884-F962 HydrophobicContact CG-CD2 4.45Å; F884-F962 HydrophobicContact CG-CE2 4.14Å; F888-F962 AromaticContact CE2-CE2 3.69Å; F888-F962 HydrophobicContact CE2-CE2 3.69Å; F888-F962 AromaticContact CE2-CZ 3.81Å; F888-F962 HydrophobicContact CE2-CZ 3.81Å; F888-F962 AromaticContact CZ-CE2 3.76Å; F888-F962 HydrophobicContact CZ-CE2 3.76Å; F888-F962 AromaticContact CZ-CZ 3.6Å; F888-F962 HydrophobicContact CZ-CZ 3.6Å; S958-F962 PolarHBondContact O-N 3.35Å; K959-F962 PolarHBondContact O-N 2.63Å; K960-F962 VanDerWaalsContact C-N 3.27Å; K960-F962 PolarHBondContact O-N 3.37Å; F962-C965 WeakPolarHBondContact O-CB 3.37Å; F962-C965 PolarHBondContact O-N 3.46Å; F962-M966 PolarHBondContact O-N 3.12Å
963V88.3Confident88Confident80 Ų8062 Ų6249%0.48531%0.311SS..Hα-helixtrans-63.6-43.2176.5174.10000111.3K959 K960 C965 M966 V967K959-V963 WeakPolarHBondContact O-CG2 3.45Å; K959-V963 PolarHBondContact O-N 3.27Å; K959-V963 VanDerWaalsContact O-N 3.15Å; K960-V963 PolarHBondContact O-N 3.1Å; V963-C965 VanDerWaalsContact C-N 3.3Å; V963-C965 PolarHBondContact O-N 3.25Å; V963-M966 PolarHBondContact O-N 3.42Å; V963-M966 VanDerWaalsContact O-N 3.17Å; V963-V967 WeakPolarHBondContact O-CG2 3.35Å; V963-V967 PolarHBondContact O-N 3.43Å
964H88Confident88.5Confident120 Ų12058.8 Ų58.856%0.55629%0.294SS*.Hα-helixtrans-58.2-43.7174.3179-85000111.6K960 A961 M966 V967 H968K960-H964 PolarHBondContact O-N 2.85Å; A961-H964 PolarHBondContact O-N 3.43Å; H964-M966 PolarHBondContact O-N 2.69Å; H964-V967 PolarHBondContact O-N 3.29Å; H964-H968 VanDerWaalsContact O-CB 3.3Å; H964-H968 WeakPolarHBondContact O-CB 3.27Å; H964-H968 PolarHBondContact O-N 3.12Å
965C89.3Confident89Confident11 Ų1156.3 Ų56.37%0.07428%0.281CS..Hα-helixtrans-60.2-42.8174.9179.80000112.2Q881 Y885 A961 F962 V963 H968 S969Q881-C965 PolarHBondContact O-SG 3.45Å; Q881-C965 VanDerWaalsContact O-SG 3.42Å; Y885-C965 VanDerWaalsContact CA-SG 3.55Å; Y885-C965 PolarHBondContact N-SG 2.93Å; Y885-C965 VanDerWaalsContact N-SG 3.38Å; A961-C965 WeakPolarHBondContact O-CB 3.43Å; A961-C965 PolarHBondContact O-N 3.31Å; F962-C965 WeakPolarHBondContact O-CB 3.37Å; F962-C965 PolarHBondContact O-N 3.46Å; V963-C965 VanDerWaalsContact C-N 3.3Å; V963-C965 PolarHBondContact O-N 3.25Å; C965-H968 PolarHBondContact O-N 3.04Å; C965-S969 WeakPolarHBondContact O-CB 2.93Å; C965-S969 PolarHBondContact O-N 2.83Å; C965-S969 PolarHBondContact O-OG 2.78Å
966M89.9Confident89.7Confident56 Ų5650.9 Ų50.928%0.27625%0.254SS..Hα-helixtrans-64-44.5177.8-169178.97600112.3F892 F962 V963 H964 S969 C970F892-M966 HydrophobicContact CE2-CG 4.45Å; F892-M966 HydrophobicContact CZ-CG 4.28Å; F962-M966 PolarHBondContact O-N 3.12Å; V963-M966 PolarHBondContact O-N 3.42Å; V963-M966 VanDerWaalsContact O-N 3.17Å; H964-M966 PolarHBondContact O-N 2.69Å; M966-S969 PolarHBondContact O-N 3.37Å; M966-C970 WeakPolarHBondContact O-CB 3.45Å; M966-C970 PolarHBondContact O-N 3.34Å
967V92.1Very high90.3Very high93 Ų9348.4 Ų48.456%0.56425%0.245SC*.Hα-helixtrans-63.7-45.1176.5173.50000111V963 H964 S969 C970 Y971V963-V967 WeakPolarHBondContact O-CG2 3.35Å; V963-V967 PolarHBondContact O-N 3.43Å; H964-V967 PolarHBondContact O-N 3.29Å; V967-S969 VanDerWaalsContact C-N 3.33Å; V967-S969 PolarHBondContact O-N 3.26Å; V967-C970 WeakPolarHBondContact O-CB 3.22Å; V967-C970 PolarHBondContact O-N 3.04Å; V967-Y971 PolarHBondContact O-N 3.26Å
968H92.3Very high91Very high32 Ų3252 Ų5215%0.14826%0.261CS..Hα-helixtrans-59.7-43.7176.3-179.4-141.6000111.8Y885 H964 C965 C970 Y971 C972 V1089Y885-H968 AromaticContact CD2-CE1 3.87Å; Y885-H968 AromaticContact CD2-ND1 3.46Å; Y885-H968 WeakPolarHBondContact CD2-ND1 3.17Å; Y885-H968 AromaticContact CE2-CE1 3.29Å; Y885-H968 WeakPolarHBondContact CE2-CE1 3.27Å; Y885-H968 AromaticContact CE2-CG 3.95Å; Y885-H968 AromaticContact CE2-ND1 3.31Å; Y885-H968 VanDerWaalsContact CE2-ND1 3.31Å; Y885-H968 WeakPolarHBondContact CE2-ND1 3.42Å; Y885-H968 AromaticContact CE2-NE2 3.9Å; Y885-H968 AromaticContact CZ-CE1 3.78Å; H964-H968 VanDerWaalsContact O-CB 3.3Å; H964-H968 WeakPolarHBondContact O-CB 3.27Å; H964-H968 PolarHBondContact O-N 3.12Å; C965-H968 PolarHBondContact O-N 3.04Å; H968-C970 PolarHBondContact O-N 2.88Å; H968-Y971 PolarHBondContact O-N 2.96Å; H968-C972 PolarHBondContact NE2-SG 2.77Å; H968-C972 VanDerWaalsContact NE2-SG 3.44Å; H968-C972 PolarHBondContact O-N 2.96Å; H968-C972 PolarHBondContact O-SG 3.25Å; H968-V1089 WeakPolarHBondContact NE2-CG2 3.5Å
969S93.5Very high91.6Very high0 Ų052.8 Ų52.80%026%0.261CS..Hα-helixtrans-64.2-39.7177.4-53.30000112.3Y885 T889 C965 M966 V967 C972 S973Y885-S969 WeakPolarHBondContact CA-OG 3.22Å; Y885-S969 WeakPolarHBondContact CD2-OG 3.49Å; Y885-S969 PolarHBondContact O-OG 3.46Å; T889-S969 WeakPolarHBondContact OG1-CA 3.42Å; T889-S969 WeakPolarHBondContact OG1-CB 3.4Å; C965-S969 WeakPolarHBondContact O-CB 2.93Å; C965-S969 PolarHBondContact O-N 2.83Å; C965-S969 PolarHBondContact O-OG 2.78Å; M966-S969 PolarHBondContact O-N 3.37Å; V967-S969 VanDerWaalsContact C-N 3.33Å; V967-S969 PolarHBondContact O-N 3.26Å; S969-C972 PolarHBondContact O-N 3.25Å; S969-S973 VanDerWaalsContact O-CB 3.29Å; S969-S973 WeakPolarHBondContact O-CB 3.23Å; S969-S973 PolarHBondContact O-N 3.22Å; S969-S973 PolarHBondContact O-OG 3.08Å
970C93.8Very high92Very high41 Ų4146 Ų4628%0.27723%0.232SC..Hα-helixtrans-60.1-48.5175.1-174.90000110.9F892 M966 V967 H968 S973 L974F892-C970 HydrophobicContact CD2-CB 4.18Å; F892-C970 HydrophobicContact CE2-CB 4.05Å; M966-C970 WeakPolarHBondContact O-CB 3.45Å; M966-C970 PolarHBondContact O-N 3.34Å; V967-C970 WeakPolarHBondContact O-CB 3.22Å; V967-C970 PolarHBondContact O-N 3.04Å; H968-C970 PolarHBondContact O-N 2.88Å; C970-S973 PolarHBondContact O-N 2.69Å; C970-S973 PolarHBondContact O-OG 3.3Å; C970-L974 WeakPolarHBondContact O-CG 3.37Å; C970-L974 PolarHBondContact O-N 2.92Å; C970-L974 VanDerWaalsContact O-N 3.08Å
971Y95.3Very high92.2Very high96 Ų9641.9 Ų41.938%0.37621%0.211SC..Hα-helixtrans-58-51.8175.6173.1-101.4000112.6V967 H968 S973 L974 V975 L1084 P1088V967-Y971 PolarHBondContact O-N 3.26Å; H968-Y971 PolarHBondContact O-N 2.96Å; Y971-S973 VanDerWaalsContact C-N 3.29Å; Y971-S973 PolarHBondContact O-N 2.91Å; Y971-L974 WeakPolarHBondContact O-CB 3.43Å; Y971-L974 PolarHBondContact O-N 3.39Å; Y971-V975 HydrophobicContact CE1-CG2 4.34Å; Y971-V975 HydrophobicContact CE2-CG2 4.21Å; Y971-V975 PolarHBondContact O-N 3.44Å; Y971-L1084 PolarHBondContact OH-O 3.27Å; Y971-P1088 HydrophobicContact CE1-CG 3.94Å
972C95.3Very high92.5Very high0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-60.4-39.6179.1-67.40000112Y885 T889 H968 S969 L974 V975 L976Y885-C972 HydrophobicContact CE2-CB 4.29Å; Y885-C972 PolarHBondContact OH-SG 2.97Å; T889-C972 HydrophobicContact CG2-CB 3.98Å; H968-C972 PolarHBondContact NE2-SG 2.77Å; H968-C972 VanDerWaalsContact NE2-SG 3.44Å; H968-C972 PolarHBondContact O-N 2.96Å; H968-C972 PolarHBondContact O-SG 3.25Å; S969-C972 PolarHBondContact O-N 3.25Å; C972-L974 VanDerWaalsContact C-N 3.34Å; C972-L974 PolarHBondContact O-N 3.45Å; C972-V975 PolarHBondContact O-N 3.39Å; C972-L976 VanDerWaalsContact O-CB 3.31Å; C972-L976 WeakPolarHBondContact O-CB 3.28Å; C972-L976 WeakPolarHBondContact O-CD1 3.45Å; C972-L976 VanDerWaalsContact O-CG 3.26Å; C972-L976 WeakPolarHBondContact O-CG 3.26Å; C972-L976 PolarHBondContact O-N 3.36Å
973S95.8Very high92.6Very high0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-65.7-33.8178.872.30000113.6F892 W896 S969 C970 Y971 F977F892-S973 VanDerWaalsContact CB-CB 3.42Å; F892-S973 WeakPolarHBondContact CB-OG 3.4Å; W896-S973 PolarHBondContact NE1-OG 3.46Å; S969-S973 VanDerWaalsContact O-CB 3.29Å; S969-S973 WeakPolarHBondContact O-CB 3.23Å; S969-S973 PolarHBondContact O-N 3.22Å; S969-S973 PolarHBondContact O-OG 3.08Å; C970-S973 PolarHBondContact O-N 2.69Å; C970-S973 PolarHBondContact O-OG 3.3Å; Y971-S973 VanDerWaalsContact C-N 3.29Å; Y971-S973 PolarHBondContact O-N 2.91Å; S973-F977 WeakPolarHBondContact O-CB 3.02Å; S973-F977 PolarHBondContact O-N 3.17Å; S973-F977 VanDerWaalsContact O-N 3.09Å
974L95.4Very high92.4Very high58 Ų5840.2 Ų40.230%0.30421%0.213SC..Hα-helixtrans-64.1-49.2175-74.8167.6000110.2W896 C970 Y971 C972 L976 F977 F978W896-L974 HydrophobicContact CD2-CD2 3.83Å; W896-L974 VanDerWaalsContact CE2-CD2 3.42Å; W896-L974 HydrophobicContact CE3-CD2 4.24Å; W896-L974 HydrophobicContact CG-CD2 4.4Å; W896-L974 HydrophobicContact CH2-CD2 4Å; W896-L974 HydrophobicContact CZ2-CD2 3.54Å; W896-L974 HydrophobicContact CZ2-CG 3.95Å; W896-L974 HydrophobicContact CZ3-CD2 4.31Å; C970-L974 WeakPolarHBondContact O-CG 3.37Å; C970-L974 PolarHBondContact O-N 2.92Å; C970-L974 VanDerWaalsContact O-N 3.08Å; Y971-L974 WeakPolarHBondContact O-CB 3.43Å; Y971-L974 PolarHBondContact O-N 3.39Å; C972-L974 VanDerWaalsContact C-N 3.34Å; C972-L974 PolarHBondContact O-N 3.45Å; L974-L976 PolarHBondContact O-N 3.49Å; L974-F977 PolarHBondContact O-N 2.93Å; L974-F978 HydrophobicContact CB-CD2 4.48Å; L974-F978 HydrophobicContact CD2-CD2 4.08Å; L974-F978 HydrophobicContact CD2-CE2 3.66Å; L974-F978 WeakPolarHBondContact O-CB 3.19Å; L974-F978 WeakPolarHBondContact O-CD2 3.17Å; L974-F978 PolarHBondContact O-N 3.09Å
975V95.9Very high92.1Very high18 Ų1839.3 Ų39.311%0.10921%0.209CC..Hα-helixtrans-62.2-44.4178.3178.80000110.8Y971 C972 F977 I979 T1081 L1084Y971-V975 HydrophobicContact CE1-CG2 4.34Å; Y971-V975 HydrophobicContact CE2-CG2 4.21Å; Y971-V975 PolarHBondContact O-N 3.44Å; C972-V975 PolarHBondContact O-N 3.39Å; V975-F977 PolarHBondContact O-N 3.28Å; V975-I979 HydrophobicContact CG1-CG1 3.93Å; V975-I979 WeakPolarHBondContact O-CB 2.94Å; V975-I979 WeakPolarHBondContact O-CG1 3.29Å; V975-I979 PolarHBondContact O-N 3.48Å; V975-T1081 HydrophobicContact CG1-CG2 4.27Å; V975-L1084 HydrophobicContact CG1-CB 3.79Å; V975-L1084 HydrophobicContact CG1-CD1 4.45Å
976L95.4Very high91.5Very high2 Ų245.4 Ų45.41%0.0124%0.241CC..Hα-helixtrans-63.4-25.3179-79.8167.9000114.2T889 V893 C972 L974 P980 C1008 L1009 V1012 T1081T889-L976 HydrophobicContact CG2-CD1 3.34Å; V893-L976 HydrophobicContact CG2-CB 4.08Å; C972-L976 VanDerWaalsContact O-CB 3.31Å; C972-L976 WeakPolarHBondContact O-CB 3.28Å; C972-L976 WeakPolarHBondContact O-CD1 3.45Å; C972-L976 VanDerWaalsContact O-CG 3.26Å; C972-L976 WeakPolarHBondContact O-CG 3.26Å; C972-L976 PolarHBondContact O-N 3.36Å; L974-L976 PolarHBondContact O-N 3.49Å; L976-P980 VanDerWaalsContact O-CD 3.23Å; L976-P980 WeakPolarHBondContact O-CD 3.31Å; L976-P980 VanDerWaalsContact O-CG 3.22Å; L976-P980 WeakPolarHBondContact O-CG 3.39Å; L976-C1008 HydrophobicContact CD2-CB 3.8Å; L976-L1009 HydrophobicContact CD1-CD1 3.67Å; L976-L1009 HydrophobicContact CD2-CB 4.47Å; L976-V1012 HydrophobicContact CD2-CB 4.34Å; L976-V1012 HydrophobicContact CD2-CG2 3.95Å; L976-T1081 HydrophobicContact CD2-CG2 3.82Å; L976-T1081 HydrophobicContact CG-CG2 4.46Å
977F95Very high91Very high0 Ų044.1 Ų44.10%024%0.236CC..Hα-helixtrans-91.7-55.5177.1-179.7-98.9000111.8V893 W896 Y897 F900 S973 L974 V975 I979 W981 F1001V893-F977 HydrophobicContact CG1-CB 4.38Å; V893-F977 HydrophobicContact CG1-CD2 4.13Å; W896-F977 HydrophobicContact CB-CB 4.24Å; W896-F977 HydrophobicContact CB-CD1 3.8Å; W896-F977 HydrophobicContact CB-CD2 4.36Å; W896-F977 HydrophobicContact CB-CE1 4.3Å; W896-F977 HydrophobicContact CB-CG 3.84Å; Y897-F977 AromaticContact CD2-CE2 3.79Å; Y897-F977 HydrophobicContact CD2-CE2 3.79Å; Y897-F977 HydrophobicContact CD2-CZ 4.17Å; Y897-F977 HydrophobicContact CG-CE2 4.22Å; F900-F977 AromaticContact CD2-CE1 3.61Å; F900-F977 HydrophobicContact CD2-CE1 3.61Å; F900-F977 AromaticContact CD2-CZ 3.48Å; F900-F977 HydrophobicContact CD2-CZ 3.48Å; F900-F977 VanDerWaalsContact CD2-CZ 3.48Å; F900-F977 HydrophobicContact CE2-CD1 4.48Å; F900-F977 AromaticContact CE2-CE1 3.35Å; F900-F977 HydrophobicContact CE2-CE1 3.35Å; F900-F977 AromaticContact CE2-CZ 3.77Å; F900-F977 HydrophobicContact CE2-CZ 3.77Å; F900-F977 HydrophobicContact CG-CE1 4.46Å; F900-F977 HydrophobicContact CG-CZ 4.09Å; F900-F977 HydrophobicContact CZ-CE1 4Å; S973-F977 WeakPolarHBondContact O-CB 3.02Å; S973-F977 PolarHBondContact O-N 3.17Å; S973-F977 VanDerWaalsContact O-N 3.09Å; L974-F977 PolarHBondContact O-N 2.93Å; V975-F977 PolarHBondContact O-N 3.28Å; F977-I979 PolarHBondContact O-N 2.97Å; F977-W981 VanDerWaalsContact O-CB 3.23Å; F977-W981 WeakPolarHBondContact O-CB 3.05Å; F977-W981 PolarHBondContact O-N 3.28Å; F977-W981 VanDerWaalsContact O-N 3.08Å; F977-F1001 HydrophobicContact CD2-CZ 4.07Å; F977-F1001 HydrophobicContact CE2-CE1 4.3Å; F977-F1001 AromaticContact CE2-CZ 3.8Å; F977-F1001 HydrophobicContact CE2-CZ 3.8Å
978F94.8Very high90.3Very high86 Ų8643.1 Ų43.138%0.37723%0.23SC..Hα-helixtrans-71.9-32.9-169.8-77.1-74.3000113.9F900 L974 G982F900-F978 HydrophobicContact CE2-CE1 4.3Å; F900-F978 AromaticContact CZ-CE1 3.97Å; F900-F978 HydrophobicContact CZ-CE1 3.97Å; L974-F978 HydrophobicContact CB-CD2 4.48Å; L974-F978 HydrophobicContact CD2-CD2 4.08Å; L974-F978 HydrophobicContact CD2-CE2 3.66Å; L974-F978 WeakPolarHBondContact O-CB 3.19Å; L974-F978 WeakPolarHBondContact O-CD2 3.17Å; L974-F978 PolarHBondContact O-N 3.09Å; F978-G982 PolarHBondContact O-N 2.87Å
979I94.8Very high89.6Confident51 Ų5143.3 Ų43.326%0.26223%0.229SC..Hα-helixtrans-70.4-52.3179-59.1-63.5000111V975 F977 W981 G982 A983 T1077 L1080 T1081 L1084V975-I979 HydrophobicContact CG1-CG1 3.93Å; V975-I979 WeakPolarHBondContact O-CB 2.94Å; V975-I979 WeakPolarHBondContact O-CG1 3.29Å; V975-I979 PolarHBondContact O-N 3.48Å; F977-I979 PolarHBondContact O-N 2.97Å; I979-W981 VanDerWaalsContact C-N 3.31Å; I979-W981 PolarHBondContact O-N 3.5Å; I979-G982 PolarHBondContact O-N 3.47Å; I979-A983 VanDerWaalsContact O-CB 3.23Å; I979-A983 WeakPolarHBondContact O-CB 3.48Å; I979-A983 PolarHBondContact O-N 3.29Å; I979-T1077 HydrophobicContact CG2-CG2 4.22Å; I979-L1080 HydrophobicContact CG2-CD2 4.28Å; I979-T1081 WeakPolarHBondContact CG2-OG1 3.27Å; I979-L1084 HydrophobicContact CD1-CD1 4.04Å; I979-L1084 HydrophobicContact CG1-CD1 4.17Å
980P92.1Very high88.6Confident0 Ų049.3 Ų49.30%026%0.261CS..Hα-helixtrans-58.7-39.2173-30.841.3000114.1L976 A983 I984 F1001 L1004L976-P980 VanDerWaalsContact O-CD 3.23Å; L976-P980 WeakPolarHBondContact O-CD 3.31Å; L976-P980 VanDerWaalsContact O-CG 3.22Å; L976-P980 WeakPolarHBondContact O-CG 3.39Å; P980-A983 PolarHBondContact O-N 3.46Å; P980-I984 WeakPolarHBondContact O-CB 3.39Å; P980-I984 PolarHBondContact O-N 3.48Å; P980-F1001 HydrophobicContact CB-CE2 4.09Å; P980-L1004 HydrophobicContact CB-CD2 3.86Å; P980-L1004 HydrophobicContact CB-CG 4.02Å
981W90.7Very high87.6Confident91 Ų9153 Ų5335%0.34528%0.278SS..Hα-helixtrans-64.3-50.3179.3177.483.4000111.3F900 F977 I979 A983 I984 H985 F1001F900-W981 HydrophobicContact CD1-CZ2 4.15Å; F900-W981 AromaticContact CD1-NE1 3.97Å; F900-W981 HydrophobicContact CE1-CD2 4.45Å; F900-W981 AromaticContact CE1-CE2 3.83Å; F900-W981 HydrophobicContact CE1-CH2 4.24Å; F900-W981 AromaticContact CE1-CZ2 3.71Å; F900-W981 HydrophobicContact CE1-CZ2 3.71Å; F977-W981 VanDerWaalsContact O-CB 3.23Å; F977-W981 WeakPolarHBondContact O-CB 3.05Å; F977-W981 PolarHBondContact O-N 3.28Å; F977-W981 VanDerWaalsContact O-N 3.08Å; I979-W981 VanDerWaalsContact C-N 3.31Å; I979-W981 PolarHBondContact O-N 3.5Å; W981-A983 VanDerWaalsContact C-N 3.29Å; W981-A983 PolarHBondContact O-N 2.82Å; W981-I984 PolarHBondContact O-N 3.42Å; W981-H985 AromaticContact CE2-CD2 3.99Å; W981-H985 AromaticContact CH2-CD2 3.9Å; W981-H985 AromaticContact CZ2-CD2 3.5Å; W981-H985 PolarHBondContact O-N 3.42Å; W981-F1001 HydrophobicContact CB-CE2 3.86Å; W981-F1001 HydrophobicContact CB-CZ 4.38Å
982G89.4Confident86.4Confident45 Ų4551.2 Ų51.246%0.46429%0.289SS..Hα-helixtrans-65.9-31.8178.200000113.1F978 I979F978-G982 PolarHBondContact O-N 2.87Å; I979-G982 PolarHBondContact O-N 3.47Å
983A87.7Confident85.4Confident32 Ų3260 Ų6026%0.26432%0.322SS..Hα-helixtrans-71.3-30176.200000113I979 P980 W981 T987 T1077I979-A983 VanDerWaalsContact O-CB 3.23Å; I979-A983 WeakPolarHBondContact O-CB 3.48Å; I979-A983 PolarHBondContact O-N 3.29Å; P980-A983 PolarHBondContact O-N 3.46Å; W981-A983 VanDerWaalsContact C-N 3.29Å; W981-A983 PolarHBondContact O-N 2.82Å; A983-T987 WeakPolarHBondContact O-CG2 3.47Å; A983-T1077 HydrophobicContact CB-CG2 3.62Å; A983-T1077 WeakPolarHBondContact CB-OG1 3.46Å
984I84.6Confident84.3Confident12 Ų1265.9 Ų65.96%0.06235%0.353CS..Hα-helixtrans-92.4-29.7-177.5-75.5-179.8000112.9P980 W981 D986 T987 A996 F1001 L1004P980-I984 WeakPolarHBondContact O-CB 3.39Å; P980-I984 PolarHBondContact O-N 3.48Å; W981-I984 PolarHBondContact O-N 3.42Å; I984-D986 VanDerWaalsContact C-N 3.26Å; I984-D986 PolarHBondContact O-N 3.14Å; I984-T987 WeakPolarHBondContact CA-OG1 3.28Å; I984-T987 PolarHBondContact O-N 3.07Å; I984-T987 PolarHBondContact O-OG1 2.8Å; I984-A996 HydrophobicContact CG2-CB 4.23Å; I984-F1001 HydrophobicContact CD1-CB 4.19Å; I984-F1001 HydrophobicContact CD1-CD2 4.31Å; I984-L1004 HydrophobicContact CD1-CB 4.01Å; I984-L1004 HydrophobicContact CD1-CD2 3.41Å; I984-L1004 VanDerWaalsContact CD1-CD2 3.41Å; I984-L1004 HydrophobicContact CD1-CG 4.33Å; I984-L1004 HydrophobicContact CG1-CD2 3.84Å
985H80.1Confident83.3Confident101 Ų10163.3 Ų63.347%0.46834%0.34SS..THydrogen-bonded Turntrans-45.1-42.6-168.5-172.4-79.7000115.1W981W981-H985 AromaticContact CE2-CD2 3.99Å; W981-H985 AromaticContact CH2-CD2 3.9Å; W981-H985 AromaticContact CZ2-CD2 3.5Å; W981-H985 PolarHBondContact O-N 3.42Å
986D78.5Confident82.3Confident140 Ų14065 Ų6575%0.74936%0.356SS*.THydrogen-bonded Turntrans-121.325.8-178-67.9-18.2000113.1I984I984-D986 VanDerWaalsContact C-N 3.26Å; I984-D986 PolarHBondContact O-N 3.14Å
987T79.4Confident81.8Confident29 Ų2967.7 Ų67.718%0.17837%0.37CS..  trans-95.1136.8-176.753.10000114.8A983 I984 L995A983-T987 WeakPolarHBondContact O-CG2 3.47Å; I984-T987 WeakPolarHBondContact CA-OG1 3.28Å; I984-T987 PolarHBondContact O-N 3.07Å; I984-T987 PolarHBondContact O-OG1 2.8Å; T987-L995 PolarHBondContact O-N 3.2Å; T987-L995 VanDerWaalsContact O-N 3.08Å
988V77.3Confident81.3Confident72 Ų7271 Ų7144%0.43638%0.383SS..BIsolated β-bridgetrans-117.3141.5177-174.20000108.8
989R76.1Confident81Confident36 Ų3669.5 Ų69.514%0.13638%0.378CS..  trans-71.6163.2176.2-66.7176.759.6-172.1-2.7111.8D991 G992 R993 L995 N1067 Q1071R989-D991 IonicContact NH2-OD2 3.15Å; R989-D991 PolarHBondContact NH2-OD2 3.2Å; R989-D991 PolarHBondContact O-N 3.19Å; R989-G992 PolarHBondContact O-N 3.27Å; R989-R993 WeakPolarHBondContact CB-O 3.35Å; R989-R993 PolarHBondContact N-O 2.96Å; R989-L995 HydrophobicContact CG-CB 3.96Å; R989-L995 HydrophobicContact CG-CD1 3.88Å; R989-L995 HydrophobicContact CG-CG 4.36Å; R989-N1067 VanDerWaalsContact NH1-CB 3.27Å; R989-N1067 PolarHBondContact NH1-ND2 3.33Å; R989-N1067 PolarHBondContact NH1-OD1 3.1Å; R989-N1067 PolarHBondContact NH2-OD1 3.25Å; R989-Q1071 HydrophobicContact CG-CG 4.33Å
990D73.5Confident80.7Confident126 Ų12667.4 Ų67.467%0.67437%0.368SS*.THydrogen-bonded Turntrans-53.5-28.3172.8-56.3-47.1000113.6G992 Q1071D990-G992 VanDerWaalsContact C-N 3.29Å; D990-G992 PolarHBondContact O-N 2.88Å; D990-Q1071 PolarHBondContact OD2-NE2 3.13Å; D990-Q1071 PolarHBondContact OD2-OE1 2.89Å
991D71.9Confident80.6Confident118 Ų11868 Ų6863%0.63137%0.37SS*.THydrogen-bonded Turntrans-83.34.4178.1-57.9-39.2000113.9R989 R993R989-D991 IonicContact NH2-OD2 3.15Å; R989-D991 PolarHBondContact NH2-OD2 3.2Å; R989-D991 PolarHBondContact O-N 3.19Å; D991-R993 VanDerWaalsContact C-N 3.3Å; D991-R993 PolarHBondContact O-N 2.96Å
992G70.6Confident80.6Confident58 Ų5863.7 Ų63.760%0.59835%0.354SS*.SBendtrans75.89.9-178.700000115.4R989 D990R989-G992 PolarHBondContact O-N 3.27Å; D990-G992 VanDerWaalsContact C-N 3.29Å; D990-G992 PolarHBondContact O-N 2.88Å
993R74.5Confident80.6Confident184 Ų18461.7 Ų61.769%0.69433%0.332SS*.  trans-95.3145.5174.4-64.5-172.5-176.7-167.61111.1R989 D991 L995R989-R993 WeakPolarHBondContact CB-O 3.35Å; R989-R993 PolarHBondContact N-O 2.96Å; D991-R993 VanDerWaalsContact C-N 3.3Å; D991-R993 PolarHBondContact O-N 2.96Å; R993-L995 PolarHBondContact O-N 3.38Å
994D72.3Confident80.8Confident124 Ų12460.3 Ų60.366%0.66332%0.321SS*.BIsolated β-bridgetrans-61.3133.9178-63.3-25.5000111.5
995L74.2Confident81.2Confident4 Ų459.9 Ų59.92%0.02132%0.319CS..  trans-93.7-6.3169.7-168.261.4000111.4T987 R989 R993 D997 Q1071 V1074T987-L995 PolarHBondContact O-N 3.2Å; T987-L995 VanDerWaalsContact O-N 3.08Å; R989-L995 HydrophobicContact CG-CB 3.96Å; R989-L995 HydrophobicContact CG-CD1 3.88Å; R989-L995 HydrophobicContact CG-CG 4.36Å; R993-L995 PolarHBondContact O-N 3.38Å; L995-D997 PolarHBondContact O-N 2.87Å; L995-Q1071 HydrophobicContact CD2-CG 4.29Å; L995-V1074 HydrophobicContact CD2-CG2 4.15Å
996A75.8Confident81.8Confident54 Ų5455 Ų5545%0.44630%0.296SS..  trans-79.247.7-17700000113.3I984I984-A996 HydrophobicContact CG2-CB 4.23Å
997D84.3Confident82.5Confident58 Ų5848.8 Ų48.831%0.3126%0.263SS..SBendtrans-105.4153.9173.974.1-71000112.1L995 Q999 S1000 F1001L995-D997 PolarHBondContact O-N 2.87Å; D997-Q999 VanDerWaalsContact C-N 3.26Å; D997-Q999 PolarHBondContact O-N 3.42Å; D997-Q999 WeakPolarHBondContact OD2-CB 3.46Å; D997-Q999 PolarHBondContact OD2-N 3.36Å; D997-S1000 PolarHBondContact O-N 3Å; D997-S1000 WeakPolarHBondContact OD1-CB 3.34Å; D997-S1000 PolarHBondContact OD1-OG 3.44Å; D997-S1000 PolarHBondContact OD2-N 3.13Å; D997-S1000 VanDerWaalsContact OD2-N 3.11Å; D997-S1000 PolarHBondContact OD2-OG 2.89Å; D997-F1001 PolarHBondContact O-N 3.5Å
998Y85.9Confident83.3Confident69 Ų6947.4 Ų47.427%0.27126%0.255SS..Hα-helixtrans-56.9-38-179.9165-102.5000112.7Y897 Q906 T907 F1001 A1002 F1061Y897-Y998 HydrophobicContact CE1-CE2 4.48Å; Y897-Y998 VanDerWaalsContact OH-CD2 3.31Å; Y897-Y998 WeakPolarHBondContact OH-CD2 3.23Å; Y897-Y998 WeakPolarHBondContact OH-CE2 3.22Å; Q906-Y998 HydrophobicContact CG-CE2 4.49Å; T907-Y998 WeakPolarHBondContact O-CE2 3.38Å; T907-Y998 PolarHBondContact O-OH 2.93Å; Y998-F1001 PolarHBondContact O-N 3.32Å; Y998-A1002 VanDerWaalsContact O-CB 3.29Å; Y998-A1002 WeakPolarHBondContact O-CB 3.43Å; Y998-A1002 PolarHBondContact O-N 3.44Å; Y998-F1061 HydrophobicContact CD1-CZ 4.42Å; Y998-F1061 HydrophobicContact CE1-CE1 4.18Å; Y998-F1061 AromaticContact CE1-CZ 3.84Å; Y998-F1061 HydrophobicContact CE1-CZ 3.84Å
999Q87.8Confident84.1Confident56 Ų5644 Ų4426%0.26223%0.234SC..Hα-helixtrans-71-42.4-175.1-52.2-173.7-2100111.1D997 A1002 L1003 P1060 F1061 T1064D997-Q999 VanDerWaalsContact C-N 3.26Å; D997-Q999 PolarHBondContact O-N 3.42Å; D997-Q999 WeakPolarHBondContact OD2-CB 3.46Å; D997-Q999 PolarHBondContact OD2-N 3.36Å; Q999-A1002 PolarHBondContact O-N 2.89Å; Q999-L1003 WeakPolarHBondContact O-CB 3.34Å; Q999-L1003 PolarHBondContact O-N 2.86Å; Q999-P1060 PolarHBondContact NE2-O 3.16Å; Q999-P1060 VanDerWaalsContact NE2-O 3.09Å; Q999-F1061 HydrophobicContact CB-CD1 4.11Å; Q999-F1061 HydrophobicContact CB-CD2 4.11Å; Q999-F1061 HydrophobicContact CB-CE1 4.17Å; Q999-F1061 HydrophobicContact CB-CE2 4.17Å; Q999-F1061 HydrophobicContact CB-CG 4.1Å; Q999-F1061 HydrophobicContact CB-CZ 4.2Å; Q999-F1061 HydrophobicContact CG-CD1 3.72Å; Q999-F1061 HydrophobicContact CG-CE1 3.7Å; Q999-F1061 HydrophobicContact CG-CG 4.21Å; Q999-F1061 HydrophobicContact CG-CZ 4.16Å; Q999-T1064 HydrophobicContact CB-CG2 3.78Å; Q999-T1064 PolarHBondContact OE1-OG1 3.37Å
1000S87.9Confident85Confident7 Ų742.3 Ų42.35%0.04923%0.228CC..Hα-helixtrans-65.2-39.6174.7-58.50000111.8D997 L1003 L1004 S1068D997-S1000 PolarHBondContact O-N 3Å; D997-S1000 WeakPolarHBondContact OD1-CB 3.34Å; D997-S1000 PolarHBondContact OD1-OG 3.44Å; D997-S1000 PolarHBondContact OD2-N 3.13Å; D997-S1000 VanDerWaalsContact OD2-N 3.11Å; D997-S1000 PolarHBondContact OD2-OG 2.89Å; S1000-L1003 PolarHBondContact O-N 3.24Å; S1000-L1004 PolarHBondContact O-N 3.13Å; S1000-S1068 VanDerWaalsContact CB-OG 3.31Å; S1000-S1068 WeakPolarHBondContact CB-OG 3.18Å; S1000-S1068 PolarHBondContact OG-OG 3.46Å; S1000-S1068 VanDerWaalsContact OG-OG 3.13Å
1001F90.1Very high86Confident13 Ų1338.2 Ų38.26%0.05721%0.207CC..Hα-helixtrans-62.2-47.4173.1173.8-104.2000112.4Y897 V908 F977 P980 W981 I984 D997 Y998 L1003 L1004 A1005Y897-F1001 HydrophobicContact CD2-CE1 4.42Å; Y897-F1001 HydrophobicContact CE2-CE1 4.39Å; V908-F1001 HydrophobicContact CG1-CE1 4.08Å; F977-F1001 HydrophobicContact CD2-CZ 4.07Å; F977-F1001 HydrophobicContact CE2-CE1 4.3Å; F977-F1001 AromaticContact CE2-CZ 3.8Å; F977-F1001 HydrophobicContact CE2-CZ 3.8Å; P980-F1001 HydrophobicContact CB-CE2 4.09Å; W981-F1001 HydrophobicContact CB-CE2 3.86Å; W981-F1001 HydrophobicContact CB-CZ 4.38Å; I984-F1001 HydrophobicContact CD1-CB 4.19Å; I984-F1001 HydrophobicContact CD1-CD2 4.31Å; D997-F1001 PolarHBondContact O-N 3.5Å; Y998-F1001 PolarHBondContact O-N 3.32Å; F1001-L1003 VanDerWaalsContact C-N 3.3Å; F1001-L1003 PolarHBondContact O-N 3.23Å; F1001-L1004 PolarHBondContact O-N 3.08Å; F1001-A1005 WeakPolarHBondContact O-CB 3.29Å; F1001-A1005 PolarHBondContact O-N 3.06Å
1002A90.2Very high87.1Confident0 Ų032.6 Ų32.60%018%0.177CC..Hα-helixtrans-58.1-43.3177.500000111.4V908 Y998 Q999 Q1006 F1061V908-A1002 WeakPolarHBondContact O-CA 3.46Å; V908-A1002 WeakPolarHBondContact O-CB 3.26Å; Y998-A1002 VanDerWaalsContact O-CB 3.29Å; Y998-A1002 WeakPolarHBondContact O-CB 3.43Å; Y998-A1002 PolarHBondContact O-N 3.44Å; Q999-A1002 PolarHBondContact O-N 2.89Å; A1002-Q1006 WeakPolarHBondContact O-CB 3.36Å; A1002-Q1006 WeakPolarHBondContact O-CG 3.21Å; A1002-Q1006 PolarHBondContact O-N 2.99Å; A1002-F1061 HydrophobicContact CB-CE2 3.82Å; A1002-F1061 HydrophobicContact CB-CZ 4.11Å
1003L90.7Very high88.2Confident2 Ų229.9 Ų29.91%0.0115%0.149CC..Hα-helixtrans-64-42.4175.8176.763.3000112.9Q999 S1000 F1001 Q1006 T1007 T1043 Y1047 T1064 V1065Q999-L1003 WeakPolarHBondContact O-CB 3.34Å; Q999-L1003 PolarHBondContact O-N 2.86Å; S1000-L1003 PolarHBondContact O-N 3.24Å; F1001-L1003 VanDerWaalsContact C-N 3.3Å; F1001-L1003 PolarHBondContact O-N 3.23Å; L1003-Q1006 HydrophobicContact CD1-CG 4.44Å; L1003-Q1006 WeakPolarHBondContact O-CG 3.42Å; L1003-T1007 WeakPolarHBondContact O-CB 3.18Å; L1003-T1007 PolarHBondContact O-N 3.29Å; L1003-T1007 VanDerWaalsContact O-N 3.11Å; L1003-T1007 PolarHBondContact O-OG1 3.38Å; L1003-T1043 HydrophobicContact CD1-CG2 3.93Å; L1003-Y1047 HydrophobicContact CD1-CE2 4.26Å; L1003-T1064 HydrophobicContact CB-CG2 4.49Å; L1003-T1064 HydrophobicContact CD2-CG2 4.24Å; L1003-V1065 HydrophobicContact CD1-CG2 3.98Å; L1003-V1065 HydrophobicContact CD2-CB 4.31Å; L1003-V1065 HydrophobicContact CD2-CG2 3.75Å
1004L91.8Very high89.1Confident4 Ų421.4 Ų21.42%0.02112%0.118CC..Hα-helixtrans-65.9-48.9177.1177.356.6000110.9P980 I984 S1000 F1001 Q1006 T1007 C1008 V1074 T1077 I1078P980-L1004 HydrophobicContact CB-CD2 3.86Å; P980-L1004 HydrophobicContact CB-CG 4.02Å; I984-L1004 HydrophobicContact CD1-CB 4.01Å; I984-L1004 HydrophobicContact CD1-CD2 3.41Å; I984-L1004 VanDerWaalsContact CD1-CD2 3.41Å; I984-L1004 HydrophobicContact CD1-CG 4.33Å; I984-L1004 HydrophobicContact CG1-CD2 3.84Å; S1000-L1004 PolarHBondContact O-N 3.13Å; F1001-L1004 PolarHBondContact O-N 3.08Å; L1004-Q1006 PolarHBondContact O-N 2.85Å; L1004-T1007 PolarHBondContact O-N 3.23Å; L1004-C1008 WeakPolarHBondContact O-CB 3.5Å; L1004-C1008 PolarHBondContact O-N 3.01Å; L1004-C1008 PolarHBondContact O-SG 2.88Å; L1004-C1008 VanDerWaalsContact O-SG 3.36Å; L1004-V1074 HydrophobicContact CD1-CG1 3.93Å; L1004-T1077 HydrophobicContact CD2-CG2 3.95Å; L1004-I1078 HydrophobicContact CD1-CD1 4.18Å; L1004-I1078 HydrophobicContact CD1-CG1 3.61Å
1005A92.8Very high90.1Very high2 Ų218.3 Ų18.32%0.01710%0.101CC..Hα-helixtrans-60-44.6-179.500000112.1V908 Y909 F1001 C1008 L1009V908-A1005 HydrophobicContact CG1-CB 4.36Å; Y909-A1005 HydrophobicContact CD1-CB 4.45Å; Y909-A1005 HydrophobicContact CE1-CB 4.01Å; F1001-A1005 WeakPolarHBondContact O-CB 3.29Å; F1001-A1005 PolarHBondContact O-N 3.06Å; A1005-C1008 PolarHBondContact O-N 2.91Å; A1005-L1009 WeakPolarHBondContact O-CB 3.26Å; A1005-L1009 PolarHBondContact O-N 3.49Å
1006Q93.2Very high91Very high0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-66.3-37177.669.8-173.5800112.7Y909 F913 A1002 L1003 L1004 L1010 Y1039 Y1047Y909-Q1006 HydrophobicContact CD1-CB 3.78Å; Y909-Q1006 HydrophobicContact CE1-CB 4.34Å; F913-Q1006 VanDerWaalsContact CB-OE1 3.28Å; F913-Q1006 HydrophobicContact CD1-CB 3.79Å; F913-Q1006 HydrophobicContact CD2-CB 3.98Å; F913-Q1006 HydrophobicContact CD2-CG 4.36Å; F913-Q1006 HydrophobicContact CE1-CB 3.66Å; F913-Q1006 HydrophobicContact CE2-CB 3.86Å; F913-Q1006 HydrophobicContact CE2-CG 4.47Å; F913-Q1006 HydrophobicContact CG-CB 3.94Å; F913-Q1006 HydrophobicContact CZ-CB 3.69Å; A1002-Q1006 WeakPolarHBondContact O-CB 3.36Å; A1002-Q1006 WeakPolarHBondContact O-CG 3.21Å; A1002-Q1006 PolarHBondContact O-N 2.99Å; L1003-Q1006 HydrophobicContact CD1-CG 4.44Å; L1003-Q1006 WeakPolarHBondContact O-CG 3.42Å; L1004-Q1006 PolarHBondContact O-N 2.85Å; Q1006-L1010 PolarHBondContact O-N 3.23Å; Q1006-L1010 VanDerWaalsContact O-N 3.08Å; Q1006-Y1039 WeakPolarHBondContact CG-OH 3.22Å; Q1006-Y1039 PolarHBondContact NE2-OH 3.08Å; Q1006-Y1047 PolarHBondContact NE2-OH 2.98Å
1007T93.4Very high91.8Very high9 Ų915.8 Ų15.86%0.0558%0.079CC..Hα-helixtrans-67.9-46.3176.8-53.20000110.8L1003 L1004 L1009 L1010 V1011 Y1039 I1078L1003-T1007 WeakPolarHBondContact O-CB 3.18Å; L1003-T1007 PolarHBondContact O-N 3.29Å; L1003-T1007 VanDerWaalsContact O-N 3.11Å; L1003-T1007 PolarHBondContact O-OG1 3.38Å; L1004-T1007 PolarHBondContact O-N 3.23Å; T1007-L1009 PolarHBondContact O-N 3.23Å; T1007-L1010 PolarHBondContact O-N 3.12Å; T1007-V1011 HydrophobicContact CG2-CG2 4.47Å; T1007-V1011 WeakPolarHBondContact O-CG2 3.45Å; T1007-V1011 PolarHBondContact O-N 2.85Å; T1007-Y1039 HydrophobicContact CG2-CE1 4.37Å; T1007-Y1039 PolarHBondContact OG1-OH 3.41Å; T1007-I1078 HydrophobicContact CG2-CD1 3.72Å; T1007-I1078 HydrophobicContact CG2-CG1 4.41Å
1008C94.8Very high92.2Very high0 Ų014.2 Ų14.20%07%0.073CC..Hα-helixtrans-57.6-46.8175.2-74.60000111.8L976 L1004 A1005 L1010 V1011 V1012 T1081L976-C1008 HydrophobicContact CD2-CB 3.8Å; L1004-C1008 WeakPolarHBondContact O-CB 3.5Å; L1004-C1008 PolarHBondContact O-N 3.01Å; L1004-C1008 PolarHBondContact O-SG 2.88Å; L1004-C1008 VanDerWaalsContact O-SG 3.36Å; A1005-C1008 PolarHBondContact O-N 2.91Å; C1008-L1010 PolarHBondContact O-N 3Å; C1008-V1011 PolarHBondContact O-N 3.27Å; C1008-V1012 WeakPolarHBondContact O-CB 3.39Å; C1008-V1012 VanDerWaalsContact O-CG2 3.28Å; C1008-V1012 WeakPolarHBondContact O-CG2 3.31Å; C1008-V1012 PolarHBondContact O-N 3.38Å; C1008-T1081 HydrophobicContact CB-CG2 4.18Å
1009L95Very high92.4Very high0 Ų013.7 Ų13.70%07%0.074CC..Hα-helixtrans-58.5-49.7178.417568.9000111.2T889 F890 Y909 F913 Y917 L976 A1005 T1007 V1012 V1013T889-L1009 HydrophobicContact CG2-CD1 3.85Å; F890-L1009 HydrophobicContact CB-CD2 4.05Å; F890-L1009 HydrophobicContact CD2-CD2 3.6Å; F890-L1009 HydrophobicContact CG-CD2 4.29Å; Y909-L1009 HydrophobicContact CE2-CD2 4.3Å; F913-L1009 HydrophobicContact CE1-CD2 4.25Å; F913-L1009 HydrophobicContact CZ-CD2 4.44Å; Y917-L1009 HydrophobicContact CD2-CD2 4.44Å; Y917-L1009 HydrophobicContact CE2-CD2 3.79Å; Y917-L1009 HydrophobicContact CE2-CG 4.19Å; L976-L1009 HydrophobicContact CD1-CD1 3.67Å; L976-L1009 HydrophobicContact CD2-CB 4.47Å; A1005-L1009 WeakPolarHBondContact O-CB 3.26Å; A1005-L1009 PolarHBondContact O-N 3.49Å; T1007-L1009 PolarHBondContact O-N 3.23Å; L1009-V1012 PolarHBondContact O-N 3.44Å; L1009-V1013 HydrophobicContact CD1-CG2 3.88Å; L1009-V1013 HydrophobicContact CG-CG2 4.44Å; L1009-V1013 WeakPolarHBondContact O-CB 3.26Å; L1009-V1013 VanDerWaalsContact O-CG2 3.28Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.34Å; L1009-V1013 PolarHBondContact O-N 3.2Å
1010L94.2Very high92.4Very high1 Ų112.5 Ų12.51%0.0057%0.07CC..Hα-helixtrans-63.2-45.5-176.8-17367.9000111.3T922 Q1006 T1007 C1008 V1013 S1014 L1036 Y1039T922-L1010 HydrophobicContact CG2-CD1 3.86Å; Q1006-L1010 PolarHBondContact O-N 3.23Å; Q1006-L1010 VanDerWaalsContact O-N 3.08Å; T1007-L1010 PolarHBondContact O-N 3.12Å; C1008-L1010 PolarHBondContact O-N 3Å; L1010-V1013 PolarHBondContact O-N 2.86Å; L1010-S1014 WeakPolarHBondContact O-CB 3.45Å; L1010-S1014 PolarHBondContact O-N 3.04Å; L1010-S1014 PolarHBondContact O-OG 3.4Å; L1010-S1014 VanDerWaalsContact O-OG 3.04Å; L1010-L1036 HydrophobicContact CD2-CD2 4.03Å; L1010-L1036 HydrophobicContact CG-CD2 4.02Å; L1010-Y1039 VanDerWaalsContact CD2-CB 3.43Å; L1010-Y1039 HydrophobicContact CD2-CD1 3.42Å; L1010-Y1039 VanDerWaalsContact CD2-CD1 3.42Å; L1010-Y1039 HydrophobicContact CD2-CD2 3.77Å; L1010-Y1039 HydrophobicContact CD2-CE1 4.13Å; L1010-Y1039 HydrophobicContact CD2-CE2 4.43Å; L1010-Y1039 HydrophobicContact CD2-CG 3.22Å
1011V94.4Very high92.5Very high39 Ų3912.9 Ų12.924%0.2367%0.072CC..Hα-helixtrans-62.2-47.2178.6172.60000111.3T1007 C1008 V1013 S1014 I1015 I1078 S1082T1007-V1011 HydrophobicContact CG2-CG2 4.47Å; T1007-V1011 WeakPolarHBondContact O-CG2 3.45Å; T1007-V1011 PolarHBondContact O-N 2.85Å; C1008-V1011 PolarHBondContact O-N 3.27Å; V1011-V1013 PolarHBondContact O-N 3.42Å; V1011-S1014 PolarHBondContact O-N 3.02Å; V1011-I1015 HydrophobicContact CG1-CD1 3.69Å; V1011-I1015 HydrophobicContact CG1-CG1 4.38Å; V1011-I1015 VanDerWaalsContact O-CG1 3.29Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.38Å; V1011-I1015 PolarHBondContact O-N 3.25Å; V1011-I1078 HydrophobicContact CB-CG2 4.48Å; V1011-I1078 HydrophobicContact CG1-CG2 4.41Å; V1011-I1078 HydrophobicContact CG2-CG2 4.34Å; V1011-S1082 WeakPolarHBondContact CG1-OG 3.43Å
1012V94.9Very high92.4Very high1 Ų115.5 Ų15.51%0.0068%0.082CC..Hα-helixtrans-59.1-48.6178.6166.20000111.3L976 C1008 L1009 S1014 I1015 Q1016 C1085L976-V1012 HydrophobicContact CD2-CB 4.34Å; L976-V1012 HydrophobicContact CD2-CG2 3.95Å; C1008-V1012 WeakPolarHBondContact O-CB 3.39Å; C1008-V1012 VanDerWaalsContact O-CG2 3.28Å; C1008-V1012 WeakPolarHBondContact O-CG2 3.31Å; C1008-V1012 PolarHBondContact O-N 3.38Å; L1009-V1012 PolarHBondContact O-N 3.44Å; V1012-S1014 PolarHBondContact O-N 3.19Å; V1012-I1015 PolarHBondContact O-N 3.33Å; V1012-Q1016 WeakPolarHBondContact O-CB 3.38Å; V1012-Q1016 PolarHBondContact O-N 3.01Å; V1012-C1085 HydrophobicContact CG1-CB 3.74Å; V1012-C1085 HydrophobicContact CG2-CB 4.03Å
1013V94.3Very high92.2Very high0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-65.5-39.7-178.71680000110.8Y882 Y885 K886 T922 L1009 L1010 V1011 Q1016 L1017Y882-V1013 HydrophobicContact CE1-CG1 4.49Å; Y882-V1013 HydrophobicContact CE2-CG1 4.25Å; Y882-V1013 WeakPolarHBondContact OH-CG1 3.31Å; Y882-V1013 PolarHBondContact OH-O 3.49Å; Y882-V1013 VanDerWaalsContact OH-O 3.07Å; Y885-V1013 HydrophobicContact CE1-CG2 4.45Å; K886-V1013 HydrophobicContact CB-CG1 3.79Å; K886-V1013 HydrophobicContact CB-CG2 4.4Å; T922-V1013 HydrophobicContact CG2-CG1 4.23Å; L1009-V1013 HydrophobicContact CD1-CG2 3.88Å; L1009-V1013 HydrophobicContact CG-CG2 4.44Å; L1009-V1013 WeakPolarHBondContact O-CB 3.26Å; L1009-V1013 VanDerWaalsContact O-CG2 3.28Å; L1009-V1013 WeakPolarHBondContact O-CG2 3.34Å; L1009-V1013 PolarHBondContact O-N 3.2Å; L1010-V1013 PolarHBondContact O-N 2.86Å; V1011-V1013 PolarHBondContact O-N 3.42Å; V1013-Q1016 PolarHBondContact O-N 3.43Å; V1013-L1017 PolarHBondContact O-N 3.19Å
1014S93.9Very high92Very high6 Ų622.4 Ų22.44%0.04211%0.113CC..Hα-helixtrans-64.2-42.6173.4-67.50000113L1010 V1011 V1012 Q1016 L1017 C1018L1010-S1014 WeakPolarHBondContact O-CB 3.45Å; L1010-S1014 PolarHBondContact O-N 3.04Å; L1010-S1014 PolarHBondContact O-OG 3.4Å; L1010-S1014 VanDerWaalsContact O-OG 3.04Å; V1011-S1014 PolarHBondContact O-N 3.02Å; V1012-S1014 PolarHBondContact O-N 3.19Å; S1014-Q1016 VanDerWaalsContact C-N 3.33Å; S1014-Q1016 PolarHBondContact O-N 2.96Å; S1014-L1017 WeakPolarHBondContact O-CB 3.22Å; S1014-L1017 PolarHBondContact O-N 3.48Å; S1014-C1018 PolarHBondContact O-N 2.95Å; S1014-C1018 PolarHBondContact O-SG 2.95Å
1015I93.5Very high91.8Very high59 Ų5924.4 Ų24.430%0.30313%0.126SC..Hα-helixtrans-64-41.3176.1-66.7164.8000110.5V1011 V1012 L1017 C1018 I1019 V1086V1011-I1015 HydrophobicContact CG1-CD1 3.69Å; V1011-I1015 HydrophobicContact CG1-CG1 4.38Å; V1011-I1015 VanDerWaalsContact O-CG1 3.29Å; V1011-I1015 WeakPolarHBondContact O-CG1 3.38Å; V1011-I1015 PolarHBondContact O-N 3.25Å; V1012-I1015 PolarHBondContact O-N 3.33Å; I1015-L1017 VanDerWaalsContact C-N 3.3Å; I1015-L1017 PolarHBondContact O-N 3Å; I1015-C1018 VanDerWaalsContact O-CB 3.31Å; I1015-C1018 WeakPolarHBondContact O-CB 3.46Å; I1015-C1018 PolarHBondContact O-N 3.32Å; I1015-I1019 HydrophobicContact CG2-CD1 3.89Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.45Å; I1015-I1019 PolarHBondContact O-N 2.82Å; I1015-I1019 VanDerWaalsContact O-N 3.07Å; I1015-V1086 HydrophobicContact CB-CG2 4.26Å; I1015-V1086 HydrophobicContact CG2-CG1 4.16Å; I1015-V1086 HydrophobicContact CG2-CG2 3.66Å
1016Q92.9Very high91.7Very high4 Ų429.7 Ų29.72%0.01916%0.158CC..Hα-helixtrans-60.2-41.8176.6-176.956.440.800111.5Y885 V1012 V1013 S1014 C1018 I1019 D1020Y885-Q1016 HydrophobicContact CD1-CG 4.19Å; Y885-Q1016 HydrophobicContact CE1-CB 4.04Å; Y885-Q1016 HydrophobicContact CE1-CG 3.66Å; V1012-Q1016 WeakPolarHBondContact O-CB 3.38Å; V1012-Q1016 PolarHBondContact O-N 3.01Å; V1013-Q1016 PolarHBondContact O-N 3.43Å; S1014-Q1016 VanDerWaalsContact C-N 3.33Å; S1014-Q1016 PolarHBondContact O-N 2.96Å; Q1016-C1018 VanDerWaalsContact C-N 3.34Å; Q1016-C1018 PolarHBondContact O-N 3.45Å; Q1016-I1019 PolarHBondContact O-N 3.08Å; Q1016-D1020 PolarHBondContact NE2-OD1 3.18Å; Q1016-D1020 PolarHBondContact NE2-OD2 3.34Å; Q1016-D1020 PolarHBondContact O-N 3.49Å
1017L92.4Very high91.6Very high1 Ų132.1 Ų32.11%0.00517%0.173CC..Hα-helixtrans-60.8-43.2175.1-172.765.1000112.5Y882 P925 I926 L929 V1013 S1014 I1015 I1019 D1020 T1021 V1032Y882-L1017 HydrophobicContact CD1-CD1 4.24Å; Y882-L1017 HydrophobicContact CD2-CB 4.43Å; Y882-L1017 HydrophobicContact CD2-CD1 4.01Å; Y882-L1017 HydrophobicContact CE1-CD1 4Å; Y882-L1017 HydrophobicContact CE2-CB 3.59Å; Y882-L1017 HydrophobicContact CE2-CD1 3.8Å; Y882-L1017 HydrophobicContact CE2-CG 4.27Å; Y882-L1017 HydrophobicContact CG-CD1 4.2Å; P925-L1017 HydrophobicContact CB-CD2 3.32Å; I926-L1017 HydrophobicContact CD1-CD1 3.69Å; L929-L1017 HydrophobicContact CB-CD1 4.35Å; L929-L1017 HydrophobicContact CD1-CD1 3.43Å; L929-L1017 VanDerWaalsContact CD1-CD1 3.43Å; L929-L1017 HydrophobicContact CD1-CG 4.3Å; L929-L1017 HydrophobicContact CG-CD1 4.49Å; V1013-L1017 PolarHBondContact O-N 3.19Å; S1014-L1017 WeakPolarHBondContact O-CB 3.22Å; S1014-L1017 PolarHBondContact O-N 3.48Å; I1015-L1017 VanDerWaalsContact C-N 3.3Å; I1015-L1017 PolarHBondContact O-N 3Å; L1017-I1019 VanDerWaalsContact C-N 3.25Å; L1017-I1019 PolarHBondContact O-N 3.1Å; L1017-D1020 PolarHBondContact O-N 3.19Å; L1017-T1021 PolarHBondContact O-N 3.44Å; L1017-T1021 VanDerWaalsContact O-N 3.08Å; L1017-T1021 PolarHBondContact O-OG1 3.13Å; L1017-V1032 HydrophobicContact CD2-CG2 4.11Å
1018C91.9Very high91.3Very high26 Ų2632 Ų3218%0.17617%0.172CC..Hα-helixtrans-58.5-38.4176.6-71.20000111.9S1014 I1015 Q1016 W1024S1014-C1018 PolarHBondContact O-N 2.95Å; S1014-C1018 PolarHBondContact O-SG 2.95Å; I1015-C1018 VanDerWaalsContact O-CB 3.31Å; I1015-C1018 WeakPolarHBondContact O-CB 3.46Å; I1015-C1018 PolarHBondContact O-N 3.32Å; Q1016-C1018 VanDerWaalsContact C-N 3.34Å; Q1016-C1018 PolarHBondContact O-N 3.45Å; C1018-W1024 HydrophobicContact CB-CH2 3.81Å; C1018-W1024 HydrophobicContact CB-CZ2 3.58Å; C1018-W1024 VanDerWaalsContact SG-CH2 3.51Å
1019I90.7Very high91.1Very high57 Ų5735.9 Ų35.929%0.29219%0.19SC..Hα-helixtrans-74.7-30.5178.4-65.5166.6000111.8I1015 Q1016 L1017 V1086 V1090I1015-I1019 HydrophobicContact CG2-CD1 3.89Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.45Å; I1015-I1019 PolarHBondContact O-N 2.82Å; I1015-I1019 VanDerWaalsContact O-N 3.07Å; Q1016-I1019 PolarHBondContact O-N 3.08Å; L1017-I1019 VanDerWaalsContact C-N 3.25Å; L1017-I1019 PolarHBondContact O-N 3.1Å; I1019-V1086 HydrophobicContact CD1-CG1 3.37Å; I1019-V1090 HydrophobicContact CD1-CG2 3.97Å
1020D88.6Confident91Very high32 Ų3242.8 Ų42.817%0.17122%0.22CC..Hα-helixtrans-80.7-18179.3-74.2-31.7000114.3K878 Q1016 L1017 R1093K878-D1020 PolarHBondContact NZ-O 3.18Å; Q1016-D1020 PolarHBondContact NE2-OD1 3.18Å; Q1016-D1020 PolarHBondContact NE2-OD2 3.34Å; Q1016-D1020 PolarHBondContact O-N 3.49Å; L1017-D1020 PolarHBondContact O-N 3.19Å; D1020-R1093 IonicContact OD1-CZ 4Å; D1020-R1093 IonicContact OD1-NH1 3.41Å; D1020-R1093 PolarHBondContact OD1-NH1 3.03Å; D1020-R1093 IonicContact OD1-NH2 2.71Å; D1020-R1093 PolarHBondContact OD1-NH2 2.92Å; D1020-R1093 IonicContact OD2-NH2 3.64Å
1021T90Very high91Very high15 Ų1545.7 Ų45.79%0.09223%0.233CC..  trans-75127.4179.4-57.90000110.6L929 L1017 A1023L929-T1021 WeakPolarHBondContact CD1-OG1 3.27Å; L1017-T1021 PolarHBondContact O-N 3.44Å; L1017-T1021 VanDerWaalsContact O-N 3.08Å; L1017-T1021 PolarHBondContact O-OG1 3.13Å; T1021-A1023 WeakPolarHBondContact CG2-O 3.35Å
1022Y87.3Confident90.8Very high67 Ų6744.2 Ų44.226%0.26322%0.224SC..SBendtrans-85.1-44.2176.7-74.2-42.6000112.1K878 D933 D935 R1108K878-Y1022 VanDerWaalsContact NZ-CG 3.34Å; D933-Y1022 PolarHBondContact OD1-N 3.4Å; D935-Y1022 HydrophobicContact CB-CD2 3.48Å; D935-Y1022 VanDerWaalsContact CB-CD2 3.48Å; D935-Y1022 HydrophobicContact CB-CE2 3.83Å; D935-Y1022 HydrophobicContact CB-CG 4.35Å; Y1022-R1108 VanDerWaalsContact CD1-CZ 3.42Å; Y1022-R1108 VanDerWaalsContact CD1-NH1 3.27Å; Y1022-R1108 VanDerWaalsContact CE1-NH1 3.31Å
1023A85Confident90.7Very high27 Ų2751.8 Ų51.822%0.22325%0.253CS..SBendtrans-110.3113.2-178.100000111.6D933 T1021 T1025 N1028D933-A1023 PolarHBondContact OD1-N 3.49Å; D933-A1023 VanDerWaalsContact OD1-N 3.11Å; T1021-A1023 WeakPolarHBondContact CG2-O 3.35Å; A1023-T1025 PolarHBondContact O-N 3.05Å; A1023-T1025 VanDerWaalsContact O-N 3.17Å; A1023-N1028 PolarHBondContact O-ND2 3.27Å; A1023-N1028 VanDerWaalsContact O-ND2 3.09Å
1024W87.3Confident90.7Very high120 Ų12053.2 Ų53.246%0.45527%0.268SS..  trans-8292.1175-81.481.2000110.8C1018 Q1029C1018-W1024 HydrophobicContact CB-CH2 3.81Å; C1018-W1024 HydrophobicContact CB-CZ2 3.58Å; C1018-W1024 VanDerWaalsContact SG-CH2 3.51Å; W1024-Q1029 HydrophobicContact CE3-CG 3.59Å; W1024-Q1029 HydrophobicContact CZ3-CG 3.91Å
1025T88.4Confident90.6Very high46 Ų4653.2 Ų53.228%0.28227%0.267SS..  trans-93.2159.5174.365.30000111.2A1023 V1027 N1028 Q1029A1023-T1025 PolarHBondContact O-N 3.05Å; A1023-T1025 VanDerWaalsContact O-N 3.17Å; T1025-V1027 PolarHBondContact O-N 3.4Å; T1025-N1028 PolarHBondContact O-N 3.4Å; T1025-N1028 PolarHBondContact OG1-N 3.24Å; T1025-N1028 PolarHBondContact OG1-ND2 3.36Å; T1025-Q1029 WeakPolarHBondContact O-CG 3.32Å; T1025-Q1029 PolarHBondContact O-N 3.35Å
1026T90.1Very high90.5Very high114 Ų11452 Ų5270%0.69926%0.261SS*.Hα-helixtrans-58.1-35.1174.549.30000112.2F1030T1026-F1030 WeakPolarHBondContact O-CB 3.44Å; T1026-F1030 PolarHBondContact O-N 3.47Å
1027V90Very high90.5Very high51 Ų5159 Ų5931%0.30929%0.292SS..Hα-helixtrans-65.5-48.6176.4-177.90000111F932 T1025 Q1029 F1030 F1031F932-V1027 HydrophobicContact CD2-CG1 3.8Å; F932-V1027 HydrophobicContact CE2-CG1 3.7Å; F932-V1027 HydrophobicContact CG-CG1 4.49Å; F932-V1027 HydrophobicContact CZ-CG1 4.3Å; T1025-V1027 PolarHBondContact O-N 3.4Å; V1027-Q1029 VanDerWaalsContact C-N 3.32Å; V1027-Q1029 PolarHBondContact O-N 3.13Å; V1027-F1030 PolarHBondContact O-N 2.97Å; V1027-F1031 HydrophobicContact CG1-CD2 3.79Å; V1027-F1031 HydrophobicContact CG1-CE2 3.56Å; V1027-F1031 VanDerWaalsContact O-CD2 3.24Å; V1027-F1031 WeakPolarHBondContact O-CD2 3.35Å; V1027-F1031 PolarHBondContact O-N 3.35Å; V1027-F1031 VanDerWaalsContact O-N 3.08Å
1028N88.1Confident90.5Very high7 Ų760.2 Ų60.24%0.03730%0.302CS..Hα-helixtrans-60.7-42.6177.4-73.9-14.4000111.5S928 A1023 T1025 F1031 V1032S928-N1028 PolarHBondContact O-OD1 3.04Å; S928-N1028 PolarHBondContact OG-OD1 2.91Å; A1023-N1028 PolarHBondContact O-ND2 3.27Å; A1023-N1028 VanDerWaalsContact O-ND2 3.09Å; T1025-N1028 PolarHBondContact O-N 3.4Å; T1025-N1028 PolarHBondContact OG1-N 3.24Å; T1025-N1028 PolarHBondContact OG1-ND2 3.36Å; N1028-F1031 PolarHBondContact O-N 3.21Å; N1028-V1032 VanDerWaalsContact O-CG2 3.3Å; N1028-V1032 WeakPolarHBondContact O-CG2 3.4Å; N1028-V1032 PolarHBondContact O-N 3.28Å
1029Q90.4Very high90.5Very high81 Ų8159.3 Ų59.338%0.37930%0.295SS..Hα-helixtrans-60.4-46.7175.2-72.1176.7-8.100111.9W1024 T1025 V1027 F1031 V1032 W1033W1024-Q1029 HydrophobicContact CE3-CG 3.59Å; W1024-Q1029 HydrophobicContact CZ3-CG 3.91Å; T1025-Q1029 WeakPolarHBondContact O-CG 3.32Å; T1025-Q1029 PolarHBondContact O-N 3.35Å; V1027-Q1029 VanDerWaalsContact C-N 3.32Å; V1027-Q1029 PolarHBondContact O-N 3.13Å; Q1029-F1031 VanDerWaalsContact C-N 3.34Å; Q1029-F1031 PolarHBondContact O-N 2.94Å; Q1029-V1032 PolarHBondContact O-N 3.08Å; Q1029-W1033 WeakPolarHBondContact O-CB 3.48Å; Q1029-W1033 PolarHBondContact O-N 3.31Å
1030F93.3Very high90.5Very high145 Ų14560.3 Ų60.364%0.63630%0.301SS*.Hα-helixtrans-57.6-45.9179.2175.2-98.1000111.9T1026 V1027 G1034T1026-F1030 WeakPolarHBondContact O-CB 3.44Å; T1026-F1030 PolarHBondContact O-N 3.47Å; V1027-F1030 PolarHBondContact O-N 2.97Å; F1030-G1034 WeakPolarHBondContact O-CA 3.41Å; F1030-G1034 PolarHBondContact O-N 2.88Å
1031F93.1Very high90.5Very high62 Ų6260.7 Ų60.727%0.27231%0.308SS..Hα-helixtrans-71.7-39.6-179.8-74.7-67.4000113.3L924 S928 V1027 N1028 Q1029 S1035L924-F1031 HydrophobicContact CB-CD1 4Å; S928-F1031 WeakPolarHBondContact OG-CD2 3.38Å; V1027-F1031 HydrophobicContact CG1-CD2 3.79Å; V1027-F1031 HydrophobicContact CG1-CE2 3.56Å; V1027-F1031 VanDerWaalsContact O-CD2 3.24Å; V1027-F1031 WeakPolarHBondContact O-CD2 3.35Å; V1027-F1031 PolarHBondContact O-N 3.35Å; V1027-F1031 VanDerWaalsContact O-N 3.08Å; N1028-F1031 PolarHBondContact O-N 3.21Å; Q1029-F1031 VanDerWaalsContact C-N 3.34Å; Q1029-F1031 PolarHBondContact O-N 2.94Å; F1031-S1035 WeakPolarHBondContact O-CB 3.37Å; F1031-S1035 PolarHBondContact O-N 3.48Å
1032V91.3Very high90.5Very high8 Ų862.4 Ų62.45%0.04832%0.316CS..Hα-helixtrans-64.7-55178.31720000111.1P925 L1017 N1028 Q1029 S1035 L1036P925-V1032 HydrophobicContact CB-CG2 4.13Å; L1017-V1032 HydrophobicContact CD2-CG2 4.11Å; N1028-V1032 VanDerWaalsContact O-CG2 3.3Å; N1028-V1032 WeakPolarHBondContact O-CG2 3.4Å; N1028-V1032 PolarHBondContact O-N 3.28Å; Q1029-V1032 PolarHBondContact O-N 3.08Å; V1032-S1035 PolarHBondContact O-N 3.12Å; V1032-L1036 PolarHBondContact O-N 3.41Å
1033W92.8Very high90.5Very high160 Ų16059.7 Ų59.761%0.60631%0.307SS*.Hα-helixtrans-70.5-38.7-179.3-65.2117.4000112.1Q1029 S1035 L1036 F1037Q1029-W1033 WeakPolarHBondContact O-CB 3.48Å; Q1029-W1033 PolarHBondContact O-N 3.31Å; W1033-S1035 PolarHBondContact O-N 3.43Å; W1033-L1036 HydrophobicContact CE3-CD1 3.99Å; W1033-L1036 HydrophobicContact CZ3-CD1 4.1Å; W1033-L1036 PolarHBondContact O-N 3.03Å; W1033-F1037 WeakPolarHBondContact O-CB 3.23Å; W1033-F1037 PolarHBondContact O-N 2.91Å
1034G92.9Very high90.6Very high30 Ų3064.7 Ų64.731%0.30932%0.324SS..Hα-helixtrans-60.2-35.8175.300000112.1F1030 A1038F1030-G1034 WeakPolarHBondContact O-CA 3.41Å; F1030-G1034 PolarHBondContact O-N 2.88Å; G1034-A1038 WeakPolarHBondContact O-CB 3.36Å; G1034-A1038 PolarHBondContact O-N 2.79Å
1035S93.1Very high90.5Very high5 Ų562.7 Ų62.74%0.03533%0.325CS..Hα-helixtrans-69.6-43.8175.8-170.60000113.1Y921 F1031 V1032 W1033 F1037 A1038 Y1039Y921-S1035 VanDerWaalsContact CA-OG 3.27Å; Y921-S1035 WeakPolarHBondContact CA-OG 3.41Å; Y921-S1035 PolarHBondContact O-OG 3.01Å; F1031-S1035 WeakPolarHBondContact O-CB 3.37Å; F1031-S1035 PolarHBondContact O-N 3.48Å; V1032-S1035 PolarHBondContact O-N 3.12Å; W1033-S1035 PolarHBondContact O-N 3.43Å; S1035-F1037 VanDerWaalsContact C-N 3.32Å; S1035-F1037 PolarHBondContact O-N 3.24Å; S1035-A1038 PolarHBondContact O-N 3.27Å; S1035-Y1039 PolarHBondContact O-N 3.05Å
1036L91.9Very high90.3Very high34 Ų3461.6 Ų61.618%0.17832%0.317CS..Hα-helixtrans-62.1-41.5175.1-71.6171.7000111.4L1010 V1032 W1033 Y1039 L1040L1010-L1036 HydrophobicContact CD2-CD2 4.03Å; L1010-L1036 HydrophobicContact CG-CD2 4.02Å; V1032-L1036 PolarHBondContact O-N 3.41Å; W1033-L1036 HydrophobicContact CE3-CD1 3.99Å; W1033-L1036 HydrophobicContact CZ3-CD1 4.1Å; W1033-L1036 PolarHBondContact O-N 3.03Å; L1036-Y1039 PolarHBondContact O-N 3.01Å; L1036-L1040 PolarHBondContact O-N 3.02Å; L1036-L1040 VanDerWaalsContact O-N 3.14Å
1037F92.6Very high90Very high151 Ų15156.8 Ų56.866%0.66229%0.286SS*.Hα-helixtrans-64.8-45.2174.8178.4-98.4000111.9W1033 S1035 Y1039 L1040 A1041W1033-F1037 WeakPolarHBondContact O-CB 3.23Å; W1033-F1037 PolarHBondContact O-N 2.91Å; S1035-F1037 VanDerWaalsContact C-N 3.32Å; S1035-F1037 PolarHBondContact O-N 3.24Å; F1037-Y1039 VanDerWaalsContact C-N 3.3Å; F1037-Y1039 PolarHBondContact O-N 3.49Å; F1037-L1040 PolarHBondContact O-N 3.23Å; F1037-A1041 HydrophobicContact CE1-CB 4.44Å; F1037-A1041 WeakPolarHBondContact O-CB 3.47Å; F1037-A1041 PolarHBondContact O-N 3.04Å
1038A91.1Very high89.7Confident27 Ų2756.1 Ų56.122%0.22328%0.284CS..Hα-helixtrans-60.3-41.1177.700000111.6G1034 S1035 A1041 I1042G1034-A1038 WeakPolarHBondContact O-CB 3.36Å; G1034-A1038 PolarHBondContact O-N 2.79Å; S1035-A1038 PolarHBondContact O-N 3.27Å; A1038-A1041 PolarHBondContact O-N 3.43Å; A1038-I1042 VanDerWaalsContact O-CB 3.27Å; A1038-I1042 WeakPolarHBondContact O-CB 3.38Å; A1038-I1042 WeakPolarHBondContact O-CD1 3.32Å; A1038-I1042 WeakPolarHBondContact O-CG1 3.01Å; A1038-I1042 PolarHBondContact O-N 3.43Å
1039Y92.1Very high89.3Confident6 Ų660.7 Ų60.72%0.02431%0.308CS..Hα-helixtrans-57.2-54.3172.9166.4-105.9000111.6F913 Y921 Q1006 T1007 L1010 S1035 L1036 F1037 A1041 I1042 T1043F913-Y1039 HydrophobicContact CD2-CD2 4.23Å; F913-Y1039 AromaticContact CD2-CE2 3.73Å; F913-Y1039 HydrophobicContact CD2-CE2 3.73Å; F913-Y1039 HydrophobicContact CE2-CD2 4.12Å; F913-Y1039 AromaticContact CE2-CE2 3.72Å; F913-Y1039 HydrophobicContact CE2-CE2 3.72Å; Y921-Y1039 HydrophobicContact CD2-CD2 4.19Å; Y921-Y1039 HydrophobicContact CE1-CD2 4.37Å; Y921-Y1039 AromaticContact CE2-CD2 3.89Å; Y921-Y1039 HydrophobicContact CE2-CD2 3.89Å; Y921-Y1039 AromaticContact CZ-CD2 3.99Å; Q1006-Y1039 WeakPolarHBondContact CG-OH 3.22Å; Q1006-Y1039 PolarHBondContact NE2-OH 3.08Å; T1007-Y1039 HydrophobicContact CG2-CE1 4.37Å; T1007-Y1039 PolarHBondContact OG1-OH 3.41Å; L1010-Y1039 VanDerWaalsContact CD2-CB 3.43Å; L1010-Y1039 HydrophobicContact CD2-CD1 3.42Å; L1010-Y1039 VanDerWaalsContact CD2-CD1 3.42Å; L1010-Y1039 HydrophobicContact CD2-CD2 3.77Å; L1010-Y1039 HydrophobicContact CD2-CE1 4.13Å; L1010-Y1039 HydrophobicContact CD2-CE2 4.43Å; L1010-Y1039 HydrophobicContact CD2-CG 3.22Å; S1035-Y1039 PolarHBondContact O-N 3.05Å; L1036-Y1039 PolarHBondContact O-N 3.01Å; F1037-Y1039 VanDerWaalsContact C-N 3.3Å; F1037-Y1039 PolarHBondContact O-N 3.49Å; Y1039-A1041 VanDerWaalsContact C-N 3.33Å; Y1039-A1041 PolarHBondContact O-N 2.85Å; Y1039-I1042 PolarHBondContact O-N 3.02Å; Y1039-T1043 VanDerWaalsContact CE2-OG1 3.28Å; Y1039-T1043 WeakPolarHBondContact CE2-OG1 3.34Å; Y1039-T1043 VanDerWaalsContact O-CB 3.25Å; Y1039-T1043 WeakPolarHBondContact O-CB 3.37Å; Y1039-T1043 PolarHBondContact O-N 3.09Å; Y1039-T1043 PolarHBondContact O-OG1 3.39Å; Y1039-T1043 VanDerWaalsContact O-OG1 3.1Å
1040L90.3Very high88.5Confident79 Ų7958.8 Ų58.841%0.41431%0.31SS..Hα-helixtrans-60.1-43180-69.2174.7000111.9L1036 F1037 F1044L1036-L1040 PolarHBondContact O-N 3.02Å; L1036-L1040 VanDerWaalsContact O-N 3.14Å; F1037-L1040 PolarHBondContact O-N 3.23Å; L1040-F1044 VanDerWaalsContact O-CB 3.26Å; L1040-F1044 WeakPolarHBondContact O-CB 3.46Å; L1040-F1044 PolarHBondContact O-N 2.96Å
1041A90.6Very high87.6Confident39 Ų3954.5 Ų54.532%0.32229%0.293SS..Hα-helixtrans-65.4-45.5179.400000112.5F1037 A1038 Y1039 T1045F1037-A1041 HydrophobicContact CE1-CB 4.44Å; F1037-A1041 WeakPolarHBondContact O-CB 3.47Å; F1037-A1041 PolarHBondContact O-N 3.04Å; A1038-A1041 PolarHBondContact O-N 3.43Å; Y1039-A1041 VanDerWaalsContact C-N 3.33Å; Y1039-A1041 PolarHBondContact O-N 2.85Å; A1041-T1045 WeakPolarHBondContact O-CB 3.16Å; A1041-T1045 PolarHBondContact O-N 3.06Å; A1041-T1045 PolarHBondContact O-OG1 3.4Å
1042I89.3Confident86.8Confident52 Ų5254.5 Ų54.527%0.26729%0.293SS..Hα-helixtrans-66.5-47.9179-70.7165.3000109.9L916 Y921 A1038 Y1039 F1044 T1045 M1046L916-I1042 HydrophobicContact CD1-CG2 4.04Å; Y921-I1042 HydrophobicContact CE1-CD1 3.93Å; Y921-I1042 VanDerWaalsContact OH-CG2 3.24Å; Y921-I1042 WeakPolarHBondContact OH-CG2 3.28Å; A1038-I1042 VanDerWaalsContact O-CB 3.27Å; A1038-I1042 WeakPolarHBondContact O-CB 3.38Å; A1038-I1042 WeakPolarHBondContact O-CD1 3.32Å; A1038-I1042 WeakPolarHBondContact O-CG1 3.01Å; A1038-I1042 PolarHBondContact O-N 3.43Å; Y1039-I1042 PolarHBondContact O-N 3.02Å; I1042-F1044 PolarHBondContact O-N 3.45Å; I1042-T1045 PolarHBondContact O-N 3.3Å; I1042-T1045 VanDerWaalsContact O-N 3.12Å; I1042-M1046 HydrophobicContact CG2-CG 4.05Å; I1042-M1046 HydrophobicContact CG2-SD 3.34Å; I1042-M1046 WeakPolarHBondContact CG2-SD 3.2Å; I1042-M1046 WeakPolarHBondContact O-CB 3.46Å; I1042-M1046 VanDerWaalsContact O-CG 3.24Å; I1042-M1046 WeakPolarHBondContact O-CG 3.22Å; I1042-M1046 PolarHBondContact O-N 3.46Å
1043T87.3Confident85.9Confident10 Ų1060.7 Ų60.76%0.06132%0.324CS..Hα-helixtrans-61.8-40.8178.8-66.20000112.1L1003 Y1039 T1045 Y1047 V1065L1003-T1043 HydrophobicContact CD1-CG2 3.93Å; Y1039-T1043 VanDerWaalsContact CE2-OG1 3.28Å; Y1039-T1043 WeakPolarHBondContact CE2-OG1 3.34Å; Y1039-T1043 VanDerWaalsContact O-CB 3.25Å; Y1039-T1043 WeakPolarHBondContact O-CB 3.37Å; Y1039-T1043 PolarHBondContact O-N 3.09Å; Y1039-T1043 PolarHBondContact O-OG1 3.39Å; Y1039-T1043 VanDerWaalsContact O-OG1 3.1Å; T1043-T1045 VanDerWaalsContact C-N 3.32Å; T1043-T1045 PolarHBondContact O-N 3.38Å; T1043-Y1047 HydrophobicContact CG2-CD2 4.3Å; T1043-Y1047 HydrophobicContact CG2-CE2 4.07Å; T1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; T1043-Y1047 PolarHBondContact O-N 3.27Å; T1043-Y1047 VanDerWaalsContact O-N 3.12Å; T1043-V1065 HydrophobicContact CG2-CG2 3.43Å; T1043-V1065 VanDerWaalsContact CG2-CG2 3.43Å
1044F87.2Confident85Confident132 Ų13258.5 Ų58.558%0.57932%0.323SS*.Hα-helixtrans-64.5-36.7174.8-163.6-88.7000112.5L1040 I1042 S1048 V1065L1040-F1044 VanDerWaalsContact O-CB 3.26Å; L1040-F1044 WeakPolarHBondContact O-CB 3.46Å; L1040-F1044 PolarHBondContact O-N 2.96Å; I1042-F1044 PolarHBondContact O-N 3.45Å; F1044-S1048 PolarHBondContact O-N 3.34Å; F1044-V1065 HydrophobicContact CD2-CG1 3.75Å; F1044-V1065 HydrophobicContact CE2-CG1 4.41Å
1045T85.6Confident84.1Confident78 Ų7862.8 Ų62.848%0.47933%0.334SS..Hα-helixtrans-71.7-46.4178.9-55.50000111.6A1041 I1042 T1043 Y1047 S1048 M1051A1041-T1045 WeakPolarHBondContact O-CB 3.16Å; A1041-T1045 PolarHBondContact O-N 3.06Å; A1041-T1045 PolarHBondContact O-OG1 3.4Å; I1042-T1045 PolarHBondContact O-N 3.3Å; I1042-T1045 VanDerWaalsContact O-N 3.12Å; T1043-T1045 VanDerWaalsContact C-N 3.32Å; T1043-T1045 PolarHBondContact O-N 3.38Å; T1045-Y1047 VanDerWaalsContact C-N 3.32Å; T1045-Y1047 PolarHBondContact O-N 3.02Å; T1045-S1048 VanDerWaalsContact O-CB 3.28Å; T1045-S1048 WeakPolarHBondContact O-CB 3.46Å; T1045-S1048 PolarHBondContact O-N 3.14Å; T1045-S1048 PolarHBondContact O-OG 2.97Å; T1045-M1051 HydrophobicContact CG2-CG 4.41Å; T1045-M1051 WeakPolarHBondContact O-CG 3.32Å
1046M83.1Confident82.9Confident22 Ų2266.7 Ų66.711%0.10836%0.358CS..Hα-helixtrans-66.6-34-177.6-67.5177.3101.800112.2W912 I1042 S1048 F1059W912-M1046 HydrophobicContact CB-CE 3.36Å; W912-M1046 HydrophobicContact CB-SD 4.1Å; W912-M1046 HydrophobicContact CD2-CE 3.27Å; W912-M1046 HydrophobicContact CE3-CE 3.75Å; W912-M1046 HydrophobicContact CG-CE 3.09Å; W912-M1046 HydrophobicContact CG-SD 4.39Å; I1042-M1046 HydrophobicContact CG2-CG 4.05Å; I1042-M1046 HydrophobicContact CG2-SD 3.34Å; I1042-M1046 WeakPolarHBondContact CG2-SD 3.2Å; I1042-M1046 WeakPolarHBondContact O-CB 3.46Å; I1042-M1046 VanDerWaalsContact O-CG 3.24Å; I1042-M1046 WeakPolarHBondContact O-CG 3.22Å; I1042-M1046 PolarHBondContact O-N 3.46Å; M1046-S1048 VanDerWaalsContact C-N 3.27Å; M1046-S1048 PolarHBondContact O-N 3.13Å; M1046-F1059 HydrophobicContact CB-CD1 4.3Å; M1046-F1059 HydrophobicContact CB-CE1 4.47Å; M1046-F1059 HydrophobicContact CE-CD1 4.26Å; M1046-F1059 HydrophobicContact CE-CE1 3.52Å; M1046-F1059 HydrophobicContact CE-CZ 4.46Å; M1046-F1059 HydrophobicContact CG-CE1 4.31Å
1047Y84.8Confident81.6Confident13 Ų1370.4 Ų70.45%0.05139%0.387CS..THydrogen-bonded Turntrans-93.912.2-177.3-6515.6000111.8D910 L1003 Q1006 T1043 T1045 F1061 G1063 V1065D910-Y1047 VanDerWaalsContact CB-OH 3.23Å; D910-Y1047 WeakPolarHBondContact CB-OH 3.13Å; D910-Y1047 VanDerWaalsContact CG-OH 3.25Å; D910-Y1047 WeakPolarHBondContact OD2-CE1 3.07Å; D910-Y1047 PolarHBondContact OD2-OH 3.15Å; L1003-Y1047 HydrophobicContact CD1-CE2 4.26Å; Q1006-Y1047 PolarHBondContact NE2-OH 2.98Å; T1043-Y1047 HydrophobicContact CG2-CD2 4.3Å; T1043-Y1047 HydrophobicContact CG2-CE2 4.07Å; T1043-Y1047 WeakPolarHBondContact O-CB 3.4Å; T1043-Y1047 PolarHBondContact O-N 3.27Å; T1043-Y1047 VanDerWaalsContact O-N 3.12Å; T1045-Y1047 VanDerWaalsContact C-N 3.32Å; T1045-Y1047 PolarHBondContact O-N 3.02Å; Y1047-F1061 WeakPolarHBondContact CB-O 3.33Å; Y1047-F1061 HydrophobicContact CD1-CB 4.01Å; Y1047-F1061 HydrophobicContact CD2-CB 3.72Å; Y1047-F1061 HydrophobicContact CD2-CD2 4.4Å; Y1047-F1061 HydrophobicContact CE1-CB 4.01Å; Y1047-F1061 HydrophobicContact CE1-CD2 4.36Å; Y1047-F1061 HydrophobicContact CE2-CB 3.75Å; Y1047-F1061 AromaticContact CE2-CD2 3.6Å; Y1047-F1061 HydrophobicContact CE2-CD2 3.6Å; Y1047-F1061 HydrophobicContact CE2-CG 4.18Å; Y1047-F1061 HydrophobicContact CG-CB 3.94Å; Y1047-F1061 VanDerWaalsContact CG-O 3.31Å; Y1047-F1061 AromaticContact CZ-CD2 3.59Å; Y1047-G1063 PolarHBondContact O-N 3.26Å; Y1047-G1063 VanDerWaalsContact O-N 3.1Å; Y1047-V1065 HydrophobicContact CD2-CB 4.27Å; Y1047-V1065 HydrophobicContact CD2-CG2 3.27Å; Y1047-V1065 HydrophobicContact CE2-CG2 3.88Å; Y1047-V1065 HydrophobicContact CG-CG2 3.93Å
1048S83.9Confident80.3Confident38 Ų3865.7 Ų65.727%0.26637%0.37SS..SBendtrans-79.6151.9175.776.10000111.9F1044 T1045 M1046 G1050 M1051 F1052F1044-S1048 PolarHBondContact O-N 3.34Å; T1045-S1048 VanDerWaalsContact O-CB 3.28Å; T1045-S1048 WeakPolarHBondContact O-CB 3.46Å; T1045-S1048 PolarHBondContact O-N 3.14Å; T1045-S1048 PolarHBondContact O-OG 2.97Å; M1046-S1048 VanDerWaalsContact C-N 3.27Å; M1046-S1048 PolarHBondContact O-N 3.13Å; S1048-G1050 PolarHBondContact O-N 3.4Å; S1048-M1051 PolarHBondContact O-N 3.33Å; S1048-F1052 PolarHBondContact O-N 3.11Å
1049N78.5Confident79.6Confident103 Ų10365.3 Ų65.355%0.55136%0.363SS*.Hα-helixtrans-59.4-29.7177.6-62-10.4000112.6L1053 I1062N1049-L1053 VanDerWaalsContact O-CG 3.27Å; N1049-L1053 WeakPolarHBondContact O-CG 3.33Å; N1049-L1053 PolarHBondContact O-N 2.89Å; N1049-I1062 WeakPolarHBondContact OD1-CD1 3.29Å; N1049-I1062 VanDerWaalsContact OD1-CG1 3.29Å; N1049-I1062 WeakPolarHBondContact OD1-CG1 3.29Å
1050G74.9Confident78.6Confident40 Ų4068.1 Ų68.141%0.41238%0.382SS..Hα-helixtrans-68.1-44.4-177.600000113.2S1048 L1053 I1054S1048-G1050 PolarHBondContact O-N 3.4Å; G1050-L1053 PolarHBondContact O-N 2.65Å; G1050-I1054 WeakPolarHBondContact O-CG1 3.23Å; G1050-I1054 PolarHBondContact O-N 3.46Å
1051M74.4Confident78Confident56 Ų5665 Ų6528%0.27637%0.365SS..Hα-helixtrans-70.1-36.9179.4-72.4-61.4-6800112.2T1045 S1048 L1053 I1054 F1055 F1059T1045-M1051 HydrophobicContact CG2-CG 4.41Å; T1045-M1051 WeakPolarHBondContact O-CG 3.32Å; S1048-M1051 PolarHBondContact O-N 3.33Å; M1051-L1053 PolarHBondContact O-N 3.44Å; M1051-I1054 PolarHBondContact O-N 2.55Å; M1051-F1055 PolarHBondContact O-N 3.11Å; M1051-F1059 HydrophobicContact CB-CD2 4.16Å; M1051-F1059 HydrophobicContact CB-CE2 4.46Å; M1051-F1059 HydrophobicContact CE-CD2 4.36Å; M1051-F1059 HydrophobicContact CE-CE2 3.56Å; M1051-F1059 HydrophobicContact CE-CZ 3.72Å
1052F75.4Confident77.5Confident62 Ų6266.4 Ų66.427%0.27237%0.367SS..Hα-helixtrans-60.9-42174.1177.8-106000112.5S1048 I1054 F1055 T1056 F1059 I1062S1048-F1052 PolarHBondContact O-N 3.11Å; F1052-I1054 PolarHBondContact O-N 3.17Å; F1052-F1055 CarbonylContact O-C 3.57Å; F1052-F1055 PolarHBondContact O-N 3.24Å; F1052-T1056 HydrophobicContact CE1-CG2 4.37Å; F1052-T1056 HydrophobicContact CE2-CG2 4.41Å; F1052-T1056 HydrophobicContact CZ-CG2 4.27Å; F1052-T1056 WeakPolarHBondContact O-CA 3.23Å; F1052-T1056 WeakPolarHBondContact O-CG2 3.42Å; F1052-T1056 PolarHBondContact O-N 3.02Å; F1052-F1059 VanDerWaalsContact CD2-O 3.23Å; F1052-F1059 WeakPolarHBondContact CD2-O 3.24Å; F1052-I1062 HydrophobicContact CB-CD1 4.17Å; F1052-I1062 HydrophobicContact CD1-CD1 3.6Å; F1052-I1062 HydrophobicContact CE1-CD1 4.15Å; F1052-I1062 HydrophobicContact CG-CD1 3.95Å
1053L72.6Confident77Confident137 Ų13764.8 Ų64.872%0.71736%0.363SS*.Hα-helixtrans-66.5-25.5178.9-73.8170000113.4N1049 G1050 M1051N1049-L1053 VanDerWaalsContact O-CG 3.27Å; N1049-L1053 WeakPolarHBondContact O-CG 3.33Å; N1049-L1053 PolarHBondContact O-N 2.89Å; G1050-L1053 PolarHBondContact O-N 2.65Å; M1051-L1053 PolarHBondContact O-N 3.44Å
1054I74.3Confident76.8Confident114 Ų11464.6 Ų64.659%0.58536%0.362SS*.Hα-helixtrans-85-41.6179.1-60.3168.2000110.8G1050 M1051 F1052G1050-I1054 WeakPolarHBondContact O-CG1 3.23Å; G1050-I1054 PolarHBondContact O-N 3.46Å; M1051-I1054 PolarHBondContact O-N 2.55Å; F1052-I1054 PolarHBondContact O-N 3.17Å
1055F72.8Confident76.6Confident120 Ų12058.8 Ų58.853%0.52634%0.337SS..  trans-137.683.1-179.7-64.4-70.2000111.8M1051 F1052 S1057 V1058 F1059M1051-F1055 PolarHBondContact O-N 3.11Å; F1052-F1055 CarbonylContact O-C 3.57Å; F1052-F1055 PolarHBondContact O-N 3.24Å; F1055-S1057 PolarHBondContact O-N 2.71Å; F1055-V1058 HydrophobicContact CB-CB 4.07Å; F1055-V1058 HydrophobicContact CB-CG2 4.19Å; F1055-V1058 PolarHBondContact O-N 3.1Å; F1055-F1059 HydrophobicContact CB-CD2 4.07Å; F1055-F1059 HydrophobicContact CB-CE2 4.06Å; F1055-F1059 HydrophobicContact CD2-CE2 4.36Å; F1055-F1059 PolarHBondContact O-N 3.45Å
1056T68.9Low76.5Confident88 Ų8863.6 Ų63.654%0.5435%0.346SS..THydrogen-bonded Turntrans-63.9-32.6-173.4490000114.4F1052 V1058F1052-T1056 HydrophobicContact CE1-CG2 4.37Å; F1052-T1056 HydrophobicContact CE2-CG2 4.41Å; F1052-T1056 HydrophobicContact CZ-CG2 4.27Å; F1052-T1056 WeakPolarHBondContact O-CA 3.23Å; F1052-T1056 WeakPolarHBondContact O-CG2 3.42Å; F1052-T1056 PolarHBondContact O-N 3.02Å; T1056-V1058 VanDerWaalsContact C-N 3.34Å
1057S63.5Low76.4Confident112 Ų11265.2 Ų65.278%0.78336%0.356SS*.THydrogen-bonded Turntrans-80.4-12.3179.7560000114.2F1055F1055-S1057 PolarHBondContact O-N 2.71Å
1058V67Low76.4Confident52 Ų5264.8 Ų64.832%0.31535%0.354SS..THydrogen-bonded Turntrans-106.6-21.2-170.1-177.80000112.7W912 F1055 T1056W912-V1058 HydrophobicContact CZ2-CG1 3.6Å; W912-V1058 PolarHBondContact NE1-O 3.42Å; F1055-V1058 HydrophobicContact CB-CB 4.07Å; F1055-V1058 HydrophobicContact CB-CG2 4.19Å; F1055-V1058 PolarHBondContact O-N 3.1Å; T1056-V1058 VanDerWaalsContact C-N 3.34Å
1059F75.4Confident76.4Confident19 Ų1964.6 Ų64.68%0.08335%0.35CS..  trans-129.272.8-175.4-59.2-65.5000113.3W912 M1046 M1051 F1052 F1055 F1061W912-F1059 AromaticContact CD1-CE1 3.83Å; W912-F1059 HydrophobicContact CD2-CE1 4.46Å; W912-F1059 AromaticContact CE2-CE1 3.75Å; W912-F1059 HydrophobicContact CG-CE1 4.49Å; W912-F1059 HydrophobicContact CZ2-CE1 4.21Å; W912-F1059 HydrophobicContact CZ2-CZ 4.26Å; W912-F1059 AromaticContact NE1-CD1 3.73Å; W912-F1059 AromaticContact NE1-CE1 3.31Å; W912-F1059 VanDerWaalsContact NE1-CE1 3.31Å; M1046-F1059 HydrophobicContact CB-CD1 4.3Å; M1046-F1059 HydrophobicContact CB-CE1 4.47Å; M1046-F1059 HydrophobicContact CE-CD1 4.26Å; M1046-F1059 HydrophobicContact CE-CE1 3.52Å; M1046-F1059 HydrophobicContact CE-CZ 4.46Å; M1046-F1059 HydrophobicContact CG-CE1 4.31Å; M1051-F1059 HydrophobicContact CB-CD2 4.16Å; M1051-F1059 HydrophobicContact CB-CE2 4.46Å; M1051-F1059 HydrophobicContact CE-CD2 4.36Å; M1051-F1059 HydrophobicContact CE-CE2 3.56Å; M1051-F1059 HydrophobicContact CE-CZ 3.72Å; F1052-F1059 VanDerWaalsContact CD2-O 3.23Å; F1052-F1059 WeakPolarHBondContact CD2-O 3.24Å; F1055-F1059 HydrophobicContact CB-CD2 4.07Å; F1055-F1059 HydrophobicContact CB-CE2 4.06Å; F1055-F1059 HydrophobicContact CD2-CE2 4.36Å; F1055-F1059 PolarHBondContact O-N 3.45Å; F1059-F1061 PolarHBondContact O-N 2.91Å
1060P71.3Confident76.8Confident65 Ų6565 Ų6542%0.42235%0.352SS..  trans-77.2-12.3-169.528.8-34.2000116Q999 I1062Q999-P1060 PolarHBondContact NE2-O 3.16Å; Q999-P1060 VanDerWaalsContact NE2-O 3.09Å; P1060-I1062 PolarHBondContact O-N 3.36Å
1061F77.8Confident77.3Confident12 Ų1263.3 Ų63.35%0.05333%0.334CS..  trans-93.163.5-171.3-74.120000112.2D910 Y998 Q999 A1002 Y1047 F1059 G1063D910-F1061 HydrophobicContact CB-CD2 4.38Å; D910-F1061 HydrophobicContact CB-CE2 3.95Å; D910-F1061 HydrophobicContact CB-CZ 4.43Å; Y998-F1061 HydrophobicContact CD1-CZ 4.42Å; Y998-F1061 HydrophobicContact CE1-CE1 4.18Å; Y998-F1061 AromaticContact CE1-CZ 3.84Å; Y998-F1061 HydrophobicContact CE1-CZ 3.84Å; Q999-F1061 HydrophobicContact CB-CD1 4.11Å; Q999-F1061 HydrophobicContact CB-CD2 4.11Å; Q999-F1061 HydrophobicContact CB-CE1 4.17Å; Q999-F1061 HydrophobicContact CB-CE2 4.17Å; Q999-F1061 HydrophobicContact CB-CG 4.1Å; Q999-F1061 HydrophobicContact CB-CZ 4.2Å; Q999-F1061 HydrophobicContact CG-CD1 3.72Å; Q999-F1061 HydrophobicContact CG-CE1 3.7Å; Q999-F1061 HydrophobicContact CG-CG 4.21Å; Q999-F1061 HydrophobicContact CG-CZ 4.16Å; A1002-F1061 HydrophobicContact CB-CE2 3.82Å; A1002-F1061 HydrophobicContact CB-CZ 4.11Å; Y1047-F1061 WeakPolarHBondContact CB-O 3.33Å; Y1047-F1061 HydrophobicContact CD1-CB 4.01Å; Y1047-F1061 HydrophobicContact CD2-CB 3.72Å; Y1047-F1061 HydrophobicContact CD2-CD2 4.4Å; Y1047-F1061 HydrophobicContact CE1-CB 4.01Å; Y1047-F1061 HydrophobicContact CE1-CD2 4.36Å; Y1047-F1061 HydrophobicContact CE2-CB 3.75Å; Y1047-F1061 AromaticContact CE2-CD2 3.6Å; Y1047-F1061 HydrophobicContact CE2-CD2 3.6Å; Y1047-F1061 HydrophobicContact CE2-CG 4.18Å; Y1047-F1061 HydrophobicContact CG-CB 3.94Å; Y1047-F1061 VanDerWaalsContact CG-O 3.31Å; Y1047-F1061 AromaticContact CZ-CD2 3.59Å; F1059-F1061 PolarHBondContact O-N 2.91Å; F1061-G1063 PolarHBondContact O-N 3.39Å
1062I79.9Confident77.9Confident70 Ų7064.5 Ų64.536%0.35935%0.345SS..  trans-73.7123.5-174.9-166.9169.8000112.6N1049 F1052 P1060 T1064N1049-I1062 WeakPolarHBondContact OD1-CD1 3.29Å; N1049-I1062 VanDerWaalsContact OD1-CG1 3.29Å; N1049-I1062 WeakPolarHBondContact OD1-CG1 3.29Å; F1052-I1062 HydrophobicContact CB-CD1 4.17Å; F1052-I1062 HydrophobicContact CD1-CD1 3.6Å; F1052-I1062 HydrophobicContact CE1-CD1 4.15Å; F1052-I1062 HydrophobicContact CG-CD1 3.95Å; P1060-I1062 PolarHBondContact O-N 3.36Å; I1062-T1064 PolarHBondContact O-N 3.09Å
1063G78.1Confident78.4Confident18 Ų1865.5 Ų65.519%0.18635%0.354CS..SBendtrans70.1-2.1173.300000115.5Y1047 F1061 V1065 R1066 N1067Y1047-G1063 PolarHBondContact O-N 3.26Å; Y1047-G1063 VanDerWaalsContact O-N 3.1Å; F1061-G1063 PolarHBondContact O-N 3.39Å; G1063-V1065 VanDerWaalsContact C-N 3.3Å; G1063-V1065 PolarHBondContact O-N 3.16Å; G1063-R1066 PolarHBondContact O-N 3.38Å; G1063-N1067 WeakPolarHBondContact O-CB 3.23Å; G1063-N1067 PolarHBondContact O-N 3.46Å; G1063-N1067 PolarHBondContact O-ND2 3.29Å
1064T83.3Confident79.2Confident5 Ų559.3 Ų59.33%0.03132%0.322CS..Hα-helixtrans-57.5-40.3-179.9-44.90000112.1Q999 L1003 I1062 N1067 S1068Q999-T1064 HydrophobicContact CB-CG2 3.78Å; Q999-T1064 PolarHBondContact OE1-OG1 3.37Å; L1003-T1064 HydrophobicContact CB-CG2 4.49Å; L1003-T1064 HydrophobicContact CD2-CG2 4.24Å; I1062-T1064 PolarHBondContact O-N 3.09Å; T1064-N1067 PolarHBondContact O-N 3.04Å; T1064-S1068 VanDerWaalsContact O-CB 3.28Å; T1064-S1068 WeakPolarHBondContact O-CB 3.33Å; T1064-S1068 PolarHBondContact O-N 3.21Å; T1064-S1068 PolarHBondContact O-OG 3.22Å; T1064-S1068 VanDerWaalsContact O-OG 3.08Å
1065V84.3Confident79.9Confident10 Ų1060.3 Ų60.36%0.06132%0.318CS..Hα-helixtrans-61.7-48.7177.7163.80000112.3L1003 T1043 F1044 Y1047 G1063 N1067 L1069L1003-V1065 HydrophobicContact CD1-CG2 3.98Å; L1003-V1065 HydrophobicContact CD2-CB 4.31Å; L1003-V1065 HydrophobicContact CD2-CG2 3.75Å; T1043-V1065 HydrophobicContact CG2-CG2 3.43Å; T1043-V1065 VanDerWaalsContact CG2-CG2 3.43Å; F1044-V1065 HydrophobicContact CD2-CG1 3.75Å; F1044-V1065 HydrophobicContact CE2-CG1 4.41Å; Y1047-V1065 HydrophobicContact CD2-CB 4.27Å; Y1047-V1065 HydrophobicContact CD2-CG2 3.27Å; Y1047-V1065 HydrophobicContact CE2-CG2 3.88Å; Y1047-V1065 HydrophobicContact CG-CG2 3.93Å; G1063-V1065 VanDerWaalsContact C-N 3.3Å; G1063-V1065 PolarHBondContact O-N 3.16Å; V1065-N1067 VanDerWaalsContact C-N 3.3Å; V1065-N1067 PolarHBondContact O-N 3.05Å; V1065-L1069 HydrophobicContact CG1-CD1 3.92Å; V1065-L1069 WeakPolarHBondContact O-CB 3.42Å; V1065-L1069 PolarHBondContact O-N 3.2Å
1066R81.9Confident80.9Confident180 Ų18059.9 Ų59.968%0.67932%0.321SS*.Hα-helixtrans-64.6-39.1178.3-175.6179.3178.8-177.4-0.5111.1G1063 N1070G1063-R1066 PolarHBondContact O-N 3.38Å; R1066-N1070 WeakPolarHBondContact O-CB 3.37Å; R1066-N1070 PolarHBondContact O-ND2 3.34Å; R1066-N1070 VanDerWaalsContact O-ND2 3.08Å
1067N82.4Confident82Confident56 Ų5656.3 Ų56.330%0.29930%0.299SS..Hα-helixtrans-72.7-40.4-176.6-73.2-21.7000113R989 G1063 T1064 V1065R989-N1067 VanDerWaalsContact NH1-CB 3.27Å; R989-N1067 PolarHBondContact NH1-ND2 3.33Å; R989-N1067 PolarHBondContact NH1-OD1 3.1Å; R989-N1067 PolarHBondContact NH2-OD1 3.25Å; G1063-N1067 WeakPolarHBondContact O-CB 3.23Å; G1063-N1067 PolarHBondContact O-N 3.46Å; G1063-N1067 PolarHBondContact O-ND2 3.29Å; T1064-N1067 PolarHBondContact O-N 3.04Å; V1065-N1067 VanDerWaalsContact C-N 3.3Å; V1065-N1067 PolarHBondContact O-N 3.05Å
1068S83.6Confident83.4Confident4 Ų451.5 Ų51.53%0.02826%0.264CS..Hα-helixtrans-83.3-49.4-177.4-62.40000112.7S1000 T1064 N1070 Q1071 V1074S1000-S1068 VanDerWaalsContact CB-OG 3.31Å; S1000-S1068 WeakPolarHBondContact CB-OG 3.18Å; S1000-S1068 PolarHBondContact OG-OG 3.46Å; S1000-S1068 VanDerWaalsContact OG-OG 3.13Å; T1064-S1068 VanDerWaalsContact O-CB 3.28Å; T1064-S1068 WeakPolarHBondContact O-CB 3.33Å; T1064-S1068 PolarHBondContact O-N 3.21Å; T1064-S1068 PolarHBondContact O-OG 3.22Å; T1064-S1068 VanDerWaalsContact O-OG 3.08Å; S1068-N1070 PolarHBondContact O-N 3.41Å; S1068-Q1071 WeakPolarHBondContact O-CB 3.48Å; S1068-Q1071 PolarHBondContact O-N 3.5Å; S1068-Q1071 VanDerWaalsContact O-N 3.08Å; S1068-V1074 WeakPolarHBondContact O-CG2 3.35Å
1069L84.4Confident84.8Confident33 Ų3355.8 Ų55.817%0.17328%0.279CS..Hα-helixtrans-71.7-14.6-174.8-64.7-178.1000113.7V1065 V1074 W1075V1065-L1069 HydrophobicContact CG1-CD1 3.92Å; V1065-L1069 WeakPolarHBondContact O-CB 3.42Å; V1065-L1069 PolarHBondContact O-N 3.2Å; L1069-V1074 HydrophobicContact CD2-CG1 4.28Å; L1069-W1075 HydrophobicContact CB-CZ2 4.5Å; L1069-W1075 HydrophobicContact CD2-CZ2 4.27Å; L1069-W1075 PolarHBondContact O-NE1 3.39Å
1070N86.1Confident85.7Confident111 Ų11158.2 Ų58.259%0.59429%0.292SS*.THydrogen-bonded Turntrans-74.5-15.6172.1-79.2-6.2000112.9R1066 S1068R1066-N1070 WeakPolarHBondContact O-CB 3.37Å; R1066-N1070 PolarHBondContact O-ND2 3.34Å; R1066-N1070 VanDerWaalsContact O-ND2 3.08Å; S1068-N1070 PolarHBondContact O-N 3.41Å
1071Q85.8Confident86.8Confident6 Ų655.1 Ų55.13%0.02827%0.272CS..  trans-87.1129.7-177-61.7-65.1-69.100110.9R989 D990 L995 S1068 N1073 V1074R989-Q1071 HydrophobicContact CG-CG 4.33Å; D990-Q1071 PolarHBondContact OD2-NE2 3.13Å; D990-Q1071 PolarHBondContact OD2-OE1 2.89Å; L995-Q1071 HydrophobicContact CD2-CG 4.29Å; S1068-Q1071 WeakPolarHBondContact O-CB 3.48Å; S1068-Q1071 PolarHBondContact O-N 3.5Å; S1068-Q1071 VanDerWaalsContact O-N 3.08Å; Q1071-N1073 VanDerWaalsContact C-N 3.29Å; Q1071-N1073 PolarHBondContact O-N 3.5Å; Q1071-V1074 HydrophobicContact CB-CG2 4.05Å; Q1071-V1074 PolarHBondContact O-N 3.35Å
1072P87.3Confident87.6Confident80 Ų8055 Ų5552%0.51927%0.273SS..Hα-helixtrans-65.7-31.3-179.125.2-33.1000112.8V1074 W1075 L1076P1072-V1074 PolarHBondContact O-N 2.66Å; P1072-W1075 PolarHBondContact O-N 3.44Å; P1072-L1076 PolarHBondContact O-N 3.37Å
1073N86.7Confident88.3Confident84 Ų8455.3 Ų55.345%0.44928%0.275SS..Hα-helixtrans-59.1-34.5178.4-66.1-16.9000112.4Q1071 L1076 T1077Q1071-N1073 VanDerWaalsContact C-N 3.29Å; Q1071-N1073 PolarHBondContact O-N 3.5Å; N1073-L1076 PolarHBondContact O-N 3.41Å; N1073-T1077 WeakPolarHBondContact O-CB 3.42Å; N1073-T1077 PolarHBondContact O-N 3.49Å; N1073-T1077 PolarHBondContact O-OG1 3Å
1074V87.9Confident89.1Confident7 Ų757.4 Ų57.44%0.04228%0.281CS..Hα-helixtrans-66.5-46.3178.9173.30000110.3L995 L1004 S1068 L1069 Q1071 P1072 T1077 I1078L995-V1074 HydrophobicContact CD2-CG2 4.15Å; L1004-V1074 HydrophobicContact CD1-CG1 3.93Å; S1068-V1074 WeakPolarHBondContact O-CG2 3.35Å; L1069-V1074 HydrophobicContact CD2-CG1 4.28Å; Q1071-V1074 HydrophobicContact CB-CG2 4.05Å; Q1071-V1074 PolarHBondContact O-N 3.35Å; P1072-V1074 PolarHBondContact O-N 2.66Å; V1074-T1077 PolarHBondContact O-N 3.16Å; V1074-I1078 HydrophobicContact CG1-CD1 4.22Å; V1074-I1078 WeakPolarHBondContact O-CG1 3.43Å; V1074-I1078 PolarHBondContact O-N 3.27Å
1075W90.6Very high89.6Confident134 Ų13457.2 Ų57.251%0.50828%0.28SS..Hα-helixtrans-64.8-40.1176.5-69102000113L1069 P1072 T1077 I1078 F1079L1069-W1075 HydrophobicContact CB-CZ2 4.5Å; L1069-W1075 HydrophobicContact CD2-CZ2 4.27Å; L1069-W1075 PolarHBondContact O-NE1 3.39Å; P1072-W1075 PolarHBondContact O-N 3.44Å; W1075-T1077 VanDerWaalsContact C-N 3.3Å; W1075-T1077 PolarHBondContact O-N 3.23Å; W1075-I1078 HydrophobicContact CE3-CD1 4.29Å; W1075-I1078 PolarHBondContact O-N 3.07Å; W1075-F1079 PolarHBondContact O-N 3.41Å
1076L92.3Very high90Very high112 Ų11257.6 Ų57.659%0.58628%0.283SS*.Hα-helixtrans-63.6-39.3175.2-173.5144.3000111.3P1072 N1073 F1079 L1080P1072-L1076 PolarHBondContact O-N 3.37Å; N1073-L1076 PolarHBondContact O-N 3.41Å; L1076-F1079 PolarHBondContact O-N 2.95Å; L1076-L1080 WeakPolarHBondContact O-CB 3.48Å; L1076-L1080 PolarHBondContact O-N 3.47Å
1077T92.3Very high90.5Very high13 Ų1353.9 Ų53.98%0.0828%0.276CS..Hα-helixtrans-66-42.5176.4-55.30000111.6I979 A983 L1004 N1073 V1074 W1075 F1079 L1080 T1081I979-T1077 HydrophobicContact CG2-CG2 4.22Å; A983-T1077 HydrophobicContact CB-CG2 3.62Å; A983-T1077 WeakPolarHBondContact CB-OG1 3.46Å; L1004-T1077 HydrophobicContact CD2-CG2 3.95Å; N1073-T1077 WeakPolarHBondContact O-CB 3.42Å; N1073-T1077 PolarHBondContact O-N 3.49Å; N1073-T1077 PolarHBondContact O-OG1 3Å; V1074-T1077 PolarHBondContact O-N 3.16Å; W1075-T1077 VanDerWaalsContact C-N 3.3Å; W1075-T1077 PolarHBondContact O-N 3.23Å; T1077-F1079 VanDerWaalsContact C-N 3.33Å; T1077-F1079 PolarHBondContact O-N 3.2Å; T1077-L1080 PolarHBondContact O-N 2.97Å; T1077-T1081 VanDerWaalsContact O-CB 3.25Å; T1077-T1081 WeakPolarHBondContact O-CB 3.34Å; T1077-T1081 PolarHBondContact O-N 3.42Å; T1077-T1081 PolarHBondContact O-OG1 3.17Å
1078I93.9Very high90.9Very high10 Ų1053.7 Ų53.75%0.05128%0.278CS..Hα-helixtrans-58.7-46.5173.9-67.3163.7000110.5L1004 T1007 V1011 V1074 W1075 S1082L1004-I1078 HydrophobicContact CD1-CD1 4.18Å; L1004-I1078 HydrophobicContact CD1-CG1 3.61Å; T1007-I1078 HydrophobicContact CG2-CD1 3.72Å; T1007-I1078 HydrophobicContact CG2-CG1 4.41Å; V1011-I1078 HydrophobicContact CB-CG2 4.48Å; V1011-I1078 HydrophobicContact CG1-CG2 4.41Å; V1011-I1078 HydrophobicContact CG2-CG2 4.34Å; V1074-I1078 HydrophobicContact CG1-CD1 4.22Å; V1074-I1078 WeakPolarHBondContact O-CG1 3.43Å; V1074-I1078 PolarHBondContact O-N 3.27Å; W1075-I1078 HydrophobicContact CE3-CD1 4.29Å; W1075-I1078 PolarHBondContact O-N 3.07Å; I1078-S1082 WeakPolarHBondContact O-CB 3.42Å; I1078-S1082 PolarHBondContact O-N 3.1Å; I1078-S1082 PolarHBondContact O-OG 3.33Å
1079F94.8Very high91.1Very high142 Ų14254.4 Ų54.462%0.62328%0.282SS*.Hα-helixtrans-62.5-49.2178.4178.3-102.8000112.4W1075 L1076 T1077 S1082 L1083W1075-F1079 PolarHBondContact O-N 3.41Å; L1076-F1079 PolarHBondContact O-N 2.95Å; T1077-F1079 VanDerWaalsContact C-N 3.33Å; T1077-F1079 PolarHBondContact O-N 3.2Å; F1079-S1082 PolarHBondContact O-N 3.4Å; F1079-L1083 WeakPolarHBondContact O-CB 3.38Å; F1079-L1083 PolarHBondContact O-N 3.46Å
1080L95Very high91.4Very high70 Ų7056 Ų5637%0.36629%0.293SS..Hα-helixtrans-61.6-46.2179.4179.563000111.6I979 L1076 T1077 S1082 L1083 L1084I979-L1080 HydrophobicContact CG2-CD2 4.28Å; L1076-L1080 WeakPolarHBondContact O-CB 3.48Å; L1076-L1080 PolarHBondContact O-N 3.47Å; T1077-L1080 PolarHBondContact O-N 2.97Å; L1080-S1082 VanDerWaalsContact C-N 3.31Å; L1080-S1082 PolarHBondContact O-N 2.88Å; L1080-L1083 PolarHBondContact O-N 3.04Å; L1080-L1084 HydrophobicContact CD1-CD1 4.09Å; L1080-L1084 HydrophobicContact CD1-CG 4.23Å; L1080-L1084 HydrophobicContact CG-CD1 4.09Å; L1080-L1084 WeakPolarHBondContact O-CG 3.44Å; L1080-L1084 PolarHBondContact O-N 3.37Å
1081T94.8Very high91.7Very high0 Ų052.8 Ų52.80%028%0.282CS..Hα-helixtrans-60.3-43.3177.4-540000110.8V975 L976 I979 C1008 T1077 C1085V975-T1081 HydrophobicContact CG1-CG2 4.27Å; L976-T1081 HydrophobicContact CD2-CG2 3.82Å; L976-T1081 HydrophobicContact CG-CG2 4.46Å; I979-T1081 WeakPolarHBondContact CG2-OG1 3.27Å; C1008-T1081 HydrophobicContact CB-CG2 4.18Å; T1077-T1081 VanDerWaalsContact O-CB 3.25Å; T1077-T1081 WeakPolarHBondContact O-CB 3.34Å; T1077-T1081 PolarHBondContact O-N 3.42Å; T1077-T1081 PolarHBondContact O-OG1 3.17Å; T1081-C1085 WeakPolarHBondContact O-CB 3.13Å; T1081-C1085 PolarHBondContact O-N 2.81Å; T1081-C1085 VanDerWaalsContact O-N 3.12Å; T1081-C1085 PolarHBondContact O-SG 3.1Å; T1081-C1085 VanDerWaalsContact O-SG 3.39Å
1082S94.6Very high91.8Very high10 Ų1056.8 Ų56.87%0.0730%0.303CS..Hα-helixtrans-63.3-44177.4-58.60000112.3V1011 I1078 F1079 L1080 C1085 V1086V1011-S1082 WeakPolarHBondContact CG1-OG 3.43Å; I1078-S1082 WeakPolarHBondContact O-CB 3.42Å; I1078-S1082 PolarHBondContact O-N 3.1Å; I1078-S1082 PolarHBondContact O-OG 3.33Å; F1079-S1082 PolarHBondContact O-N 3.4Å; L1080-S1082 VanDerWaalsContact C-N 3.31Å; L1080-S1082 PolarHBondContact O-N 2.88Å; S1082-C1085 PolarHBondContact O-N 2.99Å; S1082-V1086 WeakPolarHBondContact O-CB 3.5Å; S1082-V1086 VanDerWaalsContact O-CG2 3.26Å; S1082-V1086 WeakPolarHBondContact O-CG2 3.44Å; S1082-V1086 PolarHBondContact O-N 3.14Å; S1082-V1086 VanDerWaalsContact O-N 3.11Å
1083L94.6Very high91.9Very high77 Ų7757.1 Ų57.140%0.40329%0.294SS..Hα-helixtrans-62.4-48178.8-178.764.5000111.8F1079 L1080 C1085 V1086 L1087F1079-L1083 WeakPolarHBondContact O-CB 3.38Å; F1079-L1083 PolarHBondContact O-N 3.46Å; L1080-L1083 PolarHBondContact O-N 3.04Å; L1083-C1085 VanDerWaalsContact C-N 3.34Å; L1083-C1085 PolarHBondContact O-N 3.23Å; L1083-V1086 PolarHBondContact O-N 3.46Å; L1083-L1087 WeakPolarHBondContact O-CB 3.31Å; L1083-L1087 PolarHBondContact O-N 3.39Å
1084L95.4Very high92Very high61 Ų6159.4 Ų59.432%0.31930%0.3SS..Hα-helixtrans-65.7-35.1-178.5-70.8175000112.6Y971 V975 I979 L1080 P1088Y971-L1084 PolarHBondContact OH-O 3.27Å; V975-L1084 HydrophobicContact CG1-CB 3.79Å; V975-L1084 HydrophobicContact CG1-CD1 4.45Å; I979-L1084 HydrophobicContact CD1-CD1 4.04Å; I979-L1084 HydrophobicContact CG1-CD1 4.17Å; L1080-L1084 HydrophobicContact CD1-CD1 4.09Å; L1080-L1084 HydrophobicContact CD1-CG 4.23Å; L1080-L1084 HydrophobicContact CG-CD1 4.09Å; L1080-L1084 WeakPolarHBondContact O-CG 3.44Å; L1080-L1084 PolarHBondContact O-N 3.37Å; L1084-P1088 WeakPolarHBondContact O-CD 3.47Å
1085C93.7Very high92.1Very high1 Ų163.3 Ų63.31%0.00732%0.32CS..Hα-helixtrans-69.4-40.4175.2-75.10000112.7V1012 T1081 S1082 L1083V1012-C1085 HydrophobicContact CG1-CB 3.74Å; V1012-C1085 HydrophobicContact CG2-CB 4.03Å; T1081-C1085 WeakPolarHBondContact O-CB 3.13Å; T1081-C1085 PolarHBondContact O-N 2.81Å; T1081-C1085 VanDerWaalsContact O-N 3.12Å; T1081-C1085 PolarHBondContact O-SG 3.1Å; T1081-C1085 VanDerWaalsContact O-SG 3.39Å; S1082-C1085 PolarHBondContact O-N 2.99Å; L1083-C1085 VanDerWaalsContact C-N 3.34Å; L1083-C1085 PolarHBondContact O-N 3.23Å
1086V91.7Very high92Very high19 Ų1961.4 Ų61.412%0.11532%0.319CS..Hα-helixtrans-89.1-36.1-169.4172.40000112.9I1015 I1019 S1082 L1083 V1089 V1090I1015-V1086 HydrophobicContact CB-CG2 4.26Å; I1015-V1086 HydrophobicContact CG2-CG1 4.16Å; I1015-V1086 HydrophobicContact CG2-CG2 3.66Å; I1019-V1086 HydrophobicContact CD1-CG1 3.37Å; S1082-V1086 WeakPolarHBondContact O-CB 3.5Å; S1082-V1086 VanDerWaalsContact O-CG2 3.26Å; S1082-V1086 WeakPolarHBondContact O-CG2 3.44Å; S1082-V1086 PolarHBondContact O-N 3.14Å; S1082-V1086 VanDerWaalsContact O-N 3.11Å; L1083-V1086 PolarHBondContact O-N 3.46Å; V1086-V1089 WeakPolarHBondContact O-CB 3.39Å; V1086-V1089 PolarHBondContact O-N 3.48Å; V1086-V1089 VanDerWaalsContact O-N 3.11Å; V1086-V1090 HydrophobicContact CG1-CG2 3.76Å; V1086-V1090 PolarHBondContact O-N 2.97Å; V1086-V1090 VanDerWaalsContact O-N 3.09Å
1087L91.9Very high91.7Very high101 Ų10159.8 Ų59.853%0.52931%0.31SS..Hα-helixtrans-55.4-46.2-173.6-177.773000113.6L1083 V1089 V1090 A1091L1083-L1087 WeakPolarHBondContact O-CB 3.31Å; L1083-L1087 PolarHBondContact O-N 3.39Å; L1087-V1089 VanDerWaalsContact C-N 3.29Å; L1087-V1089 PolarHBondContact O-N 2.89Å; L1087-V1090 PolarHBondContact O-N 3.22Å; L1087-A1091 WeakPolarHBondContact O-CB 3.34Å; L1087-A1091 PolarHBondContact O-N 3.42Å
1088P91.1Very high91.5Very high53 Ų5365.3 Ų65.334%0.34434%0.335SS..Hα-helixtrans-62.5-36.5178.8-22.334.8000112.8Y971 L1084 L1092Y971-P1088 HydrophobicContact CE1-CG 3.94Å; L1084-P1088 WeakPolarHBondContact O-CD 3.47Å; P1088-L1092 VanDerWaalsContact O-CB 3.27Å; P1088-L1092 WeakPolarHBondContact O-CB 3.46Å; P1088-L1092 PolarHBondContact O-N 3.32Å
1089V88.8Confident91.4Very high18 Ų1870.5 Ų70.511%0.10936%0.362CS..Hα-helixtrans-66.4-46.9179.9-176.80000110.6H968 V1086 L1087 L1092 R1093H968-V1089 WeakPolarHBondContact NE2-CG2 3.5Å; V1086-V1089 WeakPolarHBondContact O-CB 3.39Å; V1086-V1089 PolarHBondContact O-N 3.48Å; V1086-V1089 VanDerWaalsContact O-N 3.11Å; L1087-V1089 VanDerWaalsContact C-N 3.29Å; L1087-V1089 PolarHBondContact O-N 2.89Å; V1089-L1092 PolarHBondContact O-N 3.13Å; V1089-R1093 WeakPolarHBondContact O-CB 3.4Å; V1089-R1093 WeakPolarHBondContact O-CG 3.5Å; V1089-R1093 PolarHBondContact O-N 3.25Å
1090V91.1Very high91Very high66 Ų6673.3 Ų73.340%0.437%0.368SS..Hα-helixtrans-64.2-45.5178.9175.50000110.6I1019 V1086 L1087 L1092 R1093 F1094I1019-V1090 HydrophobicContact CD1-CG2 3.97Å; V1086-V1090 HydrophobicContact CG1-CG2 3.76Å; V1086-V1090 PolarHBondContact O-N 2.97Å; V1086-V1090 VanDerWaalsContact O-N 3.09Å; L1087-V1090 PolarHBondContact O-N 3.22Å; V1090-L1092 PolarHBondContact O-N 3.41Å; V1090-R1093 PolarHBondContact O-N 3.08Å; V1090-F1094 WeakPolarHBondContact O-CB 3.26Å; V1090-F1094 PolarHBondContact O-N 3.26Å
1091A91.3Very high90.6Very high45 Ų4572.5 Ų72.537%0.37237%0.367SS..Hα-helixtrans-60-47.3178.100000111.8L1087 R1093 F1094 I1095L1087-A1091 WeakPolarHBondContact O-CB 3.34Å; L1087-A1091 PolarHBondContact O-N 3.42Å; A1091-R1093 PolarHBondContact O-N 2.89Å; A1091-F1094 PolarHBondContact O-N 3.31Å; A1091-I1095 WeakPolarHBondContact O-CD1 3.22Å; A1091-I1095 VanDerWaalsContact O-CG1 3.24Å; A1091-I1095 WeakPolarHBondContact O-CG1 3.41Å; A1091-I1095 PolarHBondContact O-N 3.41Å
1092L88.9Confident90.1Very high90 Ų9075.7 Ų75.747%0.47139%0.387SS..Hα-helixtrans-64.9-41.6-179.7-173.4145.4000112P1088 V1089 V1090 I1095 L1096P1088-L1092 VanDerWaalsContact O-CB 3.27Å; P1088-L1092 WeakPolarHBondContact O-CB 3.46Å; P1088-L1092 PolarHBondContact O-N 3.32Å; V1089-L1092 PolarHBondContact O-N 3.13Å; V1090-L1092 PolarHBondContact O-N 3.41Å; L1092-I1095 PolarHBondContact O-N 2.83Å; L1092-L1096 HydrophobicContact CD2-CD1 3.51Å; L1092-L1096 HydrophobicContact CD2-CG 4.25Å; L1092-L1096 HydrophobicContact CG-CD1 4.4Å; L1092-L1096 WeakPolarHBondContact O-CB 3.39Å; L1092-L1096 WeakPolarHBondContact O-CG 3.33Å; L1092-L1096 PolarHBondContact O-N 3.34Å
1093R88.3Confident89.6Confident86 Ų8678.6 Ų78.633%0.32540%0.401SS..Hα-helixtrans-62.4-46.4175-75.1179-170.8-153.6-0.6112D1020 V1089 V1090 A1091 I1095 L1096 I1097D1020-R1093 IonicContact OD1-CZ 4Å; D1020-R1093 IonicContact OD1-NH1 3.41Å; D1020-R1093 PolarHBondContact OD1-NH1 3.03Å; D1020-R1093 IonicContact OD1-NH2 2.71Å; D1020-R1093 PolarHBondContact OD1-NH2 2.92Å; D1020-R1093 IonicContact OD2-NH2 3.64Å; V1089-R1093 WeakPolarHBondContact O-CB 3.4Å; V1089-R1093 WeakPolarHBondContact O-CG 3.5Å; V1089-R1093 PolarHBondContact O-N 3.25Å; V1090-R1093 PolarHBondContact O-N 3.08Å; A1091-R1093 PolarHBondContact O-N 2.89Å; R1093-I1095 VanDerWaalsContact C-N 3.33Å; R1093-I1095 PolarHBondContact O-N 3.39Å; R1093-L1096 PolarHBondContact O-N 2.89Å; R1093-I1097 VanDerWaalsContact O-CG1 3.26Å; R1093-I1097 WeakPolarHBondContact O-CG1 3.33Å; R1093-I1097 PolarHBondContact O-N 3.02Å
1094F89.1Confident89.2Confident132 Ų13275.1 Ų75.158%0.57938%0.383SS*.Hα-helixtrans-59.1-46178.8-179.1-99000111.3V1090 A1091 I1097 Q1098V1090-F1094 WeakPolarHBondContact O-CB 3.26Å; V1090-F1094 PolarHBondContact O-N 3.26Å; A1091-F1094 PolarHBondContact O-N 3.31Å; F1094-I1097 PolarHBondContact O-N 3.08Å; F1094-Q1098 HydrophobicContact CE1-CG 4.42Å; F1094-Q1098 HydrophobicContact CZ-CG 4.39Å; F1094-Q1098 WeakPolarHBondContact O-CG 3.49Å; F1094-Q1098 PolarHBondContact O-N 3.49Å
1095I91.1Very high88.7Confident90 Ų9073.7 Ų73.746%0.46238%0.375SS..Hα-helixtrans-62-46177.4-68.5166.4000111.3A1091 L1092 R1093 I1097 Q1098 I1099A1091-I1095 WeakPolarHBondContact O-CD1 3.22Å; A1091-I1095 VanDerWaalsContact O-CG1 3.24Å; A1091-I1095 WeakPolarHBondContact O-CG1 3.41Å; A1091-I1095 PolarHBondContact O-N 3.41Å; L1092-I1095 PolarHBondContact O-N 2.83Å; R1093-I1095 VanDerWaalsContact C-N 3.33Å; R1093-I1095 PolarHBondContact O-N 3.39Å; I1095-I1097 PolarHBondContact O-N 3.09Å; I1095-Q1098 PolarHBondContact O-N 3.45Å; I1095-I1099 HydrophobicContact CG2-CD1 3.5Å; I1095-I1099 VanDerWaalsContact CG2-CD1 3.5Å; I1095-I1099 HydrophobicContact CG2-CG1 4.25Å; I1095-I1099 WeakPolarHBondContact O-CG1 3.06Å; I1095-I1099 PolarHBondContact O-N 3.34Å
1096L86.8Confident88.4Confident93 Ų9379.6 Ų79.649%0.48740%0.401SS..Hα-helixtrans-64.7-40.5-179.1-75.8178.5000112.9L1092 R1093 Q1098 I1099 R1100L1092-L1096 HydrophobicContact CD2-CD1 3.51Å; L1092-L1096 HydrophobicContact CD2-CG 4.25Å; L1092-L1096 HydrophobicContact CG-CD1 4.4Å; L1092-L1096 WeakPolarHBondContact O-CB 3.39Å; L1092-L1096 WeakPolarHBondContact O-CG 3.33Å; L1092-L1096 PolarHBondContact O-N 3.34Å; R1093-L1096 PolarHBondContact O-N 2.89Å; L1096-Q1098 PolarHBondContact O-N 2.97Å; L1096-I1099 PolarHBondContact O-N 3.18Å; L1096-R1100 CarbonylContact O-C 3.47Å; L1096-R1100 VanDerWaalsContact O-C 3.26Å; L1096-R1100 WeakPolarHBondContact O-CA 3.16Å; L1096-R1100 PolarHBondContact O-N 3.3Å
1097I87.6Confident88.1Confident79 Ų7979 Ų7941%0.40540%0.397SS..Hα-helixtrans-61.2-36.4177.2-70.2165.9000110.7R1093 F1094 I1095 P1101R1093-I1097 VanDerWaalsContact O-CG1 3.26Å; R1093-I1097 WeakPolarHBondContact O-CG1 3.33Å; R1093-I1097 PolarHBondContact O-N 3.02Å; F1094-I1097 PolarHBondContact O-N 3.08Å; I1095-I1097 PolarHBondContact O-N 3.09Å; I1097-P1101 WeakPolarHBondContact O-CB 3.37Å
1098Q87.6Confident87.8Confident128 Ų12877 Ų7760%0.59838%0.382SS*.Hα-helixtrans-77.3-42178.8-64.5-63.1-24.200113.1F1094 I1095 L1096F1094-Q1098 HydrophobicContact CE1-CG 4.42Å; F1094-Q1098 HydrophobicContact CZ-CG 4.39Å; F1094-Q1098 WeakPolarHBondContact O-CG 3.49Å; F1094-Q1098 PolarHBondContact O-N 3.49Å; I1095-Q1098 PolarHBondContact O-N 3.45Å; L1096-Q1098 PolarHBondContact O-N 2.97Å
1099I91.1Very high87.4Confident120 Ų12082.2 Ų82.262%0.61540%0.397SS*.Hα-helixtrans-84.6-38.8-173.6-58.4177.8000112.1I1095 L1096I1095-I1099 HydrophobicContact CG2-CD1 3.5Å; I1095-I1099 VanDerWaalsContact CG2-CD1 3.5Å; I1095-I1099 HydrophobicContact CG2-CG1 4.25Å; I1095-I1099 WeakPolarHBondContact O-CG1 3.06Å; I1095-I1099 PolarHBondContact O-N 3.34Å; L1096-I1099 PolarHBondContact O-N 3.18Å
1100R87.3Confident87.1Confident201 Ų20185.1 Ų85.176%0.75841%0.407SS*.SBendtrans-14170.1-177-65.7-170.5-179.7172.80.1111.2L1096 T1102L1096-R1100 CarbonylContact O-C 3.47Å; L1096-R1100 VanDerWaalsContact O-C 3.26Å; L1096-R1100 WeakPolarHBondContact O-CA 3.16Å; L1096-R1100 PolarHBondContact O-N 3.3Å; R1100-T1102 PolarHBondContact O-N 2.96Å
1101P86.1Confident86.6Confident53 Ų5383.9 Ų83.934%0.34440%0.4SS..  trans-62.8131.9-179.624.3-33.2000111.5I1097 D1105 K1106I1097-P1101 WeakPolarHBondContact O-CB 3.37Å; P1101-D1105 HydrophobicContact CB-CB 4.34Å; P1101-K1106 HydrophobicContact CB-CG 4.19Å
1102T84.8Confident86Confident67 Ų6788.8 Ų88.841%0.41142%0.415SS..  trans-72.8164.2173.868.70000110.9R1100 N1104 D1105 K1106R1100-T1102 PolarHBondContact O-N 2.96Å; T1102-N1104 PolarHBondContact O-N 3.29Å; T1102-D1105 WeakPolarHBondContact CB-OD2 3.42Å; T1102-D1105 PolarHBondContact N-OD2 2.74Å; T1102-D1105 PolarHBondContact O-N 3.27Å; T1102-D1105 VanDerWaalsContact O-N 3.12Å; T1102-D1105 PolarHBondContact OG1-N 2.77Å; T1102-D1105 PolarHBondContact OG1-OD2 3.14Å; T1102-K1106 WeakPolarHBondContact O-CG 3.32Å; T1102-K1106 PolarHBondContact O-N 3.05Å
1103I84.3Confident85.6Confident71 Ų7189.2 Ų89.236%0.36442%0.422SS..Hα-helixtrans-56.8-39.1174.8-58.3173.9000110.1L947 K1106 V1107L947-I1103 HydrophobicContact CD2-CG2 3.97Å; I1103-K1106 PolarHBondContact O-N 3.02Å; I1103-V1107 WeakPolarHBondContact O-CG2 3.4Å; I1103-V1107 PolarHBondContact O-N 3.44Å
1104N85.7Confident85.2Confident4 Ų489.4 Ų89.42%0.02143%0.426CS..Hα-helixtrans-62.2-45177.2-155.9-12.9000111.2D935 L947 T1102 K1106 V1107 R1108D935-N1104 PolarHBondContact OD2-ND2 3.25Å; L947-N1104 HydrophobicContact CD2-CB 4.39Å; T1102-N1104 PolarHBondContact O-N 3.29Å; N1104-K1106 VanDerWaalsContact C-N 3.34Å; N1104-K1106 PolarHBondContact O-N 3.37Å; N1104-V1107 PolarHBondContact O-N 3.34Å; N1104-R1108 WeakPolarHBondContact O-CB 3.48Å; N1104-R1108 VanDerWaalsContact O-CG 3.27Å; N1104-R1108 WeakPolarHBondContact O-CG 3.36Å; N1104-R1108 PolarHBondContact O-N 2.82Å
1105D85.4Confident84.4Confident31 Ų3187 Ų8717%0.16643%0.431CS..Hα-helixtrans-61.9-41.1178.3-57.7-42.8000112.2P1101 T1102 R1108 Y1109P1101-D1105 HydrophobicContact CB-CB 4.34Å; T1102-D1105 WeakPolarHBondContact CB-OD2 3.42Å; T1102-D1105 PolarHBondContact N-OD2 2.74Å; T1102-D1105 PolarHBondContact O-N 3.27Å; T1102-D1105 VanDerWaalsContact O-N 3.12Å; T1102-D1105 PolarHBondContact OG1-N 2.77Å; T1102-D1105 PolarHBondContact OG1-OD2 3.14Å; D1105-R1108 PolarHBondContact O-N 3.11Å; D1105-Y1109 PolarHBondContact O-N 3.07Å
1106K86.3Confident83.4Confident125 Ų12586.5 Ų86.554%0.54343%0.433SS..Hα-helixtrans-63-45.9177.4-67.7179.1-176.7-178.30112.2P1101 T1102 I1103 N1104 Y1109 K1110P1101-K1106 HydrophobicContact CB-CG 4.19Å; T1102-K1106 WeakPolarHBondContact O-CG 3.32Å; T1102-K1106 PolarHBondContact O-N 3.05Å; I1103-K1106 PolarHBondContact O-N 3.02Å; N1104-K1106 VanDerWaalsContact C-N 3.34Å; N1104-K1106 PolarHBondContact O-N 3.37Å; K1106-Y1109 PolarHBondContact O-N 2.87Å; K1106-K1110 PolarHBondContact O-N 3.23Å
1107V85.9Confident82.5Confident5 Ų583.2 Ų83.23%0.0342%0.418CS..Hα-helixtrans-69.1-40178.9178.90000110.5V936 Y944 L947 I1103 N1104 Y1109 K1110 T1111V936-V1107 HydrophobicContact CG1-CG1 4.38Å; Y944-V1107 HydrophobicContact CD1-CG2 4.13Å; Y944-V1107 HydrophobicContact CD2-CG1 3.96Å; Y944-V1107 HydrophobicContact CD2-CG2 4.25Å; Y944-V1107 HydrophobicContact CE2-CG1 4.47Å; Y944-V1107 HydrophobicContact CG-CG1 4.38Å; Y944-V1107 HydrophobicContact CG-CG2 3.9Å; L947-V1107 HydrophobicContact CD1-CB 4.45Å; L947-V1107 HydrophobicContact CD1-CG1 4.14Å; L947-V1107 HydrophobicContact CD1-CG2 4.42Å; L947-V1107 HydrophobicContact CD2-CB 4.28Å; L947-V1107 HydrophobicContact CD2-CG2 4.02Å; L947-V1107 HydrophobicContact CG-CG2 4.34Å; I1103-V1107 WeakPolarHBondContact O-CG2 3.4Å; I1103-V1107 PolarHBondContact O-N 3.44Å; N1104-V1107 PolarHBondContact O-N 3.34Å; V1107-Y1109 VanDerWaalsContact C-N 3.34Å; V1107-Y1109 PolarHBondContact O-N 3.09Å; V1107-K1110 WeakPolarHBondContact O-CA 3.45Å; V1107-K1110 WeakPolarHBondContact O-CB 3.27Å; V1107-K1110 PolarHBondContact O-N 3.47Å; V1107-K1110 VanDerWaalsContact O-N 3.1Å; V1107-T1111 HydrophobicContact CG1-CG2 4.21Å; V1107-T1111 WeakPolarHBondContact O-CG2 3.37Å; V1107-T1111 PolarHBondContact O-N 3.47Å
1108R84.4Confident81.5Confident60 Ų6083.5 Ų83.523%0.22643%0.432CS..Hα-helixtrans-61-41.1176.3-74.4-175.676.5-141.41.3112.5V936 Y1022 N1104 D1105 K1110 T1111 Q1112V936-R1108 HydrophobicContact CG1-CG 3.98Å; Y1022-R1108 VanDerWaalsContact CD1-CZ 3.42Å; Y1022-R1108 VanDerWaalsContact CD1-NH1 3.27Å; Y1022-R1108 VanDerWaalsContact CE1-NH1 3.31Å; N1104-R1108 WeakPolarHBondContact O-CB 3.48Å; N1104-R1108 VanDerWaalsContact O-CG 3.27Å; N1104-R1108 WeakPolarHBondContact O-CG 3.36Å; N1104-R1108 PolarHBondContact O-N 2.82Å; D1105-R1108 PolarHBondContact O-N 3.11Å; R1108-K1110 VanDerWaalsContact C-N 3.31Å; R1108-K1110 PolarHBondContact O-N 3.34Å; R1108-T1111 WeakPolarHBondContact CA-OG1 3.38Å; R1108-T1111 PolarHBondContact O-N 3.4Å; R1108-T1111 PolarHBondContact O-OG1 2.94Å; R1108-Q1112 PolarHBondContact O-N 3.25Å
1109Y84.3Confident80.1Confident163 Ų16382.6 Ų82.664%0.63944%0.437SS*.Hα-helixtrans-57.4-45.6173.1-178.1-99.9000111.3D1105 K1106 V1107 T1111 Q1112 V1113D1105-Y1109 PolarHBondContact O-N 3.07Å; K1106-Y1109 PolarHBondContact O-N 2.87Å; V1107-Y1109 VanDerWaalsContact C-N 3.34Å; V1107-Y1109 PolarHBondContact O-N 3.09Å; Y1109-T1111 PolarHBondContact O-N 3.09Å; Y1109-Q1112 PolarHBondContact O-N 3.3Å; Y1109-V1113 HydrophobicContact CE1-CG2 4.23Å; Y1109-V1113 WeakPolarHBondContact O-CG2 3.43Å; Y1109-V1113 PolarHBondContact O-N 3.38Å
1110K82.8Confident78.3Confident78 Ų7880.9 Ų80.934%0.33944%0.441SS..Hα-helixtrans-60.9-42.4174.3-70.3-173.6171.1-165.10113Y944 K1106 V1107 R1108 Q1112 V1113 E1114Y944-K1110 PolarHBondContact OH-NZ 3.2Å; K1106-K1110 PolarHBondContact O-N 3.23Å; V1107-K1110 WeakPolarHBondContact O-CA 3.45Å; V1107-K1110 WeakPolarHBondContact O-CB 3.27Å; V1107-K1110 PolarHBondContact O-N 3.47Å; V1107-K1110 VanDerWaalsContact O-N 3.1Å; R1108-K1110 VanDerWaalsContact C-N 3.31Å; R1108-K1110 PolarHBondContact O-N 3.34Å; K1110-Q1112 PolarHBondContact O-N 2.85Å; K1110-Q1112 VanDerWaalsContact O-N 3.11Å; K1110-V1113 PolarHBondContact O-N 2.88Å; K1110-E1114 WeakPolarHBondContact O-CB 3.47Å; K1110-E1114 PolarHBondContact O-N 2.92Å
1111T80.4Confident76.2Confident41 Ų4175.8 Ų75.825%0.25243%0.434SS..Hα-helixtrans-61.4-22.7179.768.10000114.2V936 W940 V1107 R1108 Y1109V936-T1111 HydrophobicContact CG1-CG2 4.26Å; W940-T1111 HydrophobicContact CB-CG2 4.39Å; W940-T1111 HydrophobicContact CD2-CG2 3.57Å; W940-T1111 HydrophobicContact CE3-CG2 4.17Å; W940-T1111 HydrophobicContact CG-CG2 3.67Å; W940-T1111 HydrophobicContact CZ2-CG2 4.18Å; V1107-T1111 HydrophobicContact CG1-CG2 4.21Å; V1107-T1111 WeakPolarHBondContact O-CG2 3.37Å; V1107-T1111 PolarHBondContact O-N 3.47Å; R1108-T1111 WeakPolarHBondContact CA-OG1 3.38Å; R1108-T1111 PolarHBondContact O-N 3.4Å; R1108-T1111 PolarHBondContact O-OG1 2.94Å; Y1109-T1111 PolarHBondContact O-N 3.09Å
1112Q77.4Confident74.4Confident147 Ų14783.4 Ų83.469%0.68746%0.456SS*.Hα-helixtrans-84.6-26.4176.7-68.5178.9-3.900112.6R1108 Y1109 K1110R1108-Q1112 PolarHBondContact O-N 3.25Å; Y1109-Q1112 PolarHBondContact O-N 3.3Å; K1110-Q1112 PolarHBondContact O-N 2.85Å; K1110-Q1112 VanDerWaalsContact O-N 3.11Å
1113V80.1Confident72.3Confident100 Ų10089.7 Ų89.761%0.60647%0.472SS*.Hα-helixtrans-96.3-34.6-175178.70000111.6Y1109 K1110Y1109-V1113 HydrophobicContact CE1-CG2 4.23Å; Y1109-V1113 WeakPolarHBondContact O-CG2 3.43Å; Y1109-V1113 PolarHBondContact O-N 3.38Å; K1110-V1113 PolarHBondContact O-N 2.88Å
1114E79.9Confident70.3Confident89 Ų8989.8 Ų89.842%0.41648%0.477SS..SBendtrans-106.3143.9-172.5-66.4174.6-171.500111.7W940 K1110W940-E1114 HydrophobicContact CH2-CB 3.9Å; W940-E1114 HydrophobicContact CZ2-CB 4.33Å; K1110-E1114 WeakPolarHBondContact O-CB 3.47Å; K1110-E1114 PolarHBondContact O-N 2.92Å
1115A73.3Confident68.3Low83 Ų8394.2 Ų94.269%0.68650%0.504SS*.PPolyproline II helixtrans-62.3149.7170.900000110.2
1116P70.3Confident66.1Low78 Ų78104 Ų10451%0.50654%0.539SS..PPolyproline II helixtrans-57.2134.5179.721.5-31.4000110.2
1117P67.9Low64.3Low25 Ų25103.5 Ų103.516%0.16253%0.533CS..PPolyproline II helixtrans-56.7143.4-174.624.1-37.2000111R939 W940 E943R939-P1117 HydrophobicContact CB-CG 4.04Å; W940-P1117 HydrophobicContact CD2-CG 4.29Å; W940-P1117 VanDerWaalsContact CE2-CD 3.48Å; W940-P1117 HydrophobicContact CE3-CG 4.41Å; E943-P1117 WeakPolarHBondContact OE2-CB 3.36Å; E943-P1117 WeakPolarHBondContact OE2-CG 3.26Å
1118A66.3Low62.1Low84 Ų84108.8 Ų108.869%0.69457%0.565SS**PPolyproline II helixtrans-58.6152.217000000109.4A1120A1118-A1120 PolarHBondContact O-N 3.3Å
1119P57.9Low60.1Low110 Ų110108.9 Ų108.971%0.71458%0.575SS**PPolyproline II helixtrans-53.3130.2174.6-18.129.4000109.2P1121P1119-P1121 VanDerWaalsContact O-N 3.14Å
1120A53Low58.3Low83 Ų83104.6 Ų104.669%0.68657%0.566SS**PPolyproline II helixtrans-52.3123.618000000109.4A1118 R1122A1118-A1120 PolarHBondContact O-N 3.3Å; A1120-R1122 PolarHBondContact O-N 3.19Å
1121P44.5Very low56.9Low95 Ų95111.8 Ų111.862%0.61759%0.591SS**PPolyproline II helixtrans-63.8135.6178.125.1-31.9000108.9P1119 R1123P1119-P1121 VanDerWaalsContact O-N 3.14Å; P1121-R1123 HydrophobicContact CB-CG 4.27Å; P1121-R1123 HydrophobicContact CG-CG 4.45Å; P1121-R1123 PolarHBondContact O-N 3.49Å
1122R47.8Very low56Low213 Ų213114.7 Ų114.780%0.80460%0.597SS**  trans-71.677.7170-64.6-179.7-176174.30.6107.9A1120A1120-R1122 PolarHBondContact O-N 3.19Å
1123R39.7Very low55.2Low199 Ų199110.1 Ų110.175%0.75158%0.582SS**PPolyproline II helixtrans-91.2120.3171.8-75.2-175.6179.2178.2-0108.6P1121P1121-R1123 HydrophobicContact CB-CG 4.27Å; P1121-R1123 HydrophobicContact CG-CG 4.45Å; P1121-R1123 PolarHBondContact O-N 3.49Å
1124P42.4Very low54.6Low73 Ų73105.4 Ų105.447%0.47455%0.553SS.*PPolyproline II helixtrans-66138.6162.5-15.732.6000108.5E432E432-P1124 WeakPolarHBondContact OE1-CG 3.4Å; E432-P1124 WeakPolarHBondContact OE2-CG 3.43Å
1125V43.9Very low54.6Low96 Ų96102 Ų10258%0.58254%0.537SS*.PPolyproline II helixtrans-80.2131.9174.7179.80000107.9R1127V1125-R1127 PolarHBondContact O-N 3.13Å
1126R38.8Very low54.6Low237 Ų23798.3 Ų98.389%0.89451%0.506SS*.PPolyproline II helixtrans-68.4120.1176.9-162.4177-172.4175.43.1109
1127R50.3Low54.7Low115 Ų11594.9 Ų94.943%0.43448%0.483SS..PPolyproline II helixtrans-84.4136.8177.8-60.7-176.5-170.71687.5110G596 D597 S693 V1125G596-R1127 WeakPolarHBondContact O-CD 3.43Å; G596-R1127 PolarHBondContact O-NH1 2.94Å; D597-R1127 VanDerWaalsContact CA-NH1 3.29Å; D597-R1127 PolarHBondContact O-NH1 3.01Å; S693-R1127 PolarHBondContact O-NH2 2.97Å; V1125-R1127 PolarHBondContact O-N 3.13Å
1128V39.7Very low54.5Low116 Ų11695.8 Ų95.870%0.70349%0.49SS*.PPolyproline II helixtrans-98.9148.4163.8-178.10000106.3E699E699-V1128 VanDerWaalsContact OE2-C 3.24Å
1129S42Very low54.4Low61 Ų6192 Ų9243%0.42746%0.458SS..  trans-118132-172164.30000111.2
1130T46.5Very low54.4Low73 Ų7389.9 Ų89.945%0.44845%0.446SS..  trans-104.3153.1158.253.20000111.3E699 R1132E699-T1130 PolarHBondContact OE1-N 3.09Å; E699-T1130 PolarHBondContact OE1-OG1 3.49Å; T1130-R1132 PolarHBondContact O-N 2.66Å; T1130-R1132 VanDerWaalsContact O-N 3.09Å
1131R52.3Low54.8Low229 Ų22990.8 Ų90.886%0.86444%0.436SS*.SBendtrans-62.3106.4-174.7-71179.6174.9179.8-0.5111.8N592N592-R1131 WeakPolarHBondContact OD1-CA 3.46Å
1132R62Low55.4Low102 Ų10288.3 Ų88.339%0.38543%0.427SS..  trans-142.5150.2173.6-61.8-171.6-170.1-1587.4111.3N592 A595 E688 Y692 T1130N592-R1132 PolarHBondContact OD1-N 3.17Å; N592-R1132 PolarHBondContact OD1-O 2.97Å; A595-R1132 WeakPolarHBondContact CB-O 3.25Å; E688-R1132 IonicContact OE1-NH1 3.71Å; E688-R1132 PolarHBondContact OE1-NH1 3.05Å; Y692-R1132 PolarHBondContact OH-NH1 3.48Å; Y692-R1132 PolarHBondContact OH-NH2 2.87Å; T1130-R1132 PolarHBondContact O-N 2.66Å; T1130-R1132 VanDerWaalsContact O-N 3.09Å
1133S60.8Low56Low52 Ų5280.5 Ų80.536%0.36440%0.398SS..  trans-82.3131.1171.2169.40000110.2D569 Y1135D569-S1133 PolarHBondContact OD1-OG 3.43Å; D569-S1133 VanDerWaalsContact OD2-CB 3.23Å; D569-S1133 WeakPolarHBondContact OD2-CB 3.43Å; D569-S1133 PolarHBondContact OD2-OG 3.41Å; D569-S1133 VanDerWaalsContact OD2-OG 3.05Å; S1133-Y1135 PolarHBondContact OG-N 2.78Å
1134G67.1Low56.7Low0 Ų071.1 Ų71.10%036%0.363CS..  trans-93.817.9177.500000113.9R600 T601 N689 A1136R600-G1134 WeakPolarHBondContact CA-O 3.26Å; T601-G1134 PolarHBondContact N-O 2.85Å; T601-G1134 VanDerWaalsContact OG1-C 3.25Å; N689-G1134 PolarHBondContact ND2-O 3.37Å; G1134-A1136 PolarHBondContact O-N 2.92Å
1135Y80Confident57.4Low19 Ų1970.9 Ų70.98%0.07537%0.368CS..  trans-61.4124.8-175169.7-101.8000113F543 K548 A568 T601 L602 S1133 F1137F543-Y1135 WeakPolarHBondContact CE2-OH 3.33Å; K548-Y1135 HydrophobicContact CB-CE1 4.17Å; K548-Y1135 WeakPolarHBondContact CB-OH 3.44Å; K548-Y1135 HydrophobicContact CD-CE1 3.93Å; K548-Y1135 HydrophobicContact CG-CE1 4.29Å; K548-Y1135 PolarHBondContact O-OH 3.19Å; A568-Y1135 HydrophobicContact CB-CD1 3.71Å; A568-Y1135 HydrophobicContact CB-CD2 3.45Å; A568-Y1135 VanDerWaalsContact CB-CD2 3.45Å; A568-Y1135 HydrophobicContact CB-CE1 3.84Å; A568-Y1135 HydrophobicContact CB-CE2 3.56Å; A568-Y1135 HydrophobicContact CB-CG 3.49Å; A568-Y1135 VanDerWaalsContact CB-CG 3.49Å; T601-Y1135 PolarHBondContact OG1-N 3.29Å; L602-Y1135 HydrophobicContact CD2-CD2 3.85Å; L602-Y1135 HydrophobicContact CD2-CE2 3.55Å; S1133-Y1135 PolarHBondContact OG-N 2.78Å; Y1135-F1137 HydrophobicContact CE2-CB 4.14Å
1136A72.9Confident58.1Low4 Ų468.8 Ų68.83%0.03335%0.353CS..  trans-151.3139.3167.200000110.1R600 G1134R600-A1136 HydrophobicContact CB-CB 4.2Å; R600-A1136 HydrophobicContact CG-CB 3.92Å; G1134-A1136 PolarHBondContact O-N 2.92Å
1137F73.8Confident59.1Low6 Ų657.9 Ų57.93%0.02631%0.313CS..  trans-148.2126.5178.6-164.4-123.9000112.1D501 E502 F543 L602 K683 Y1135 H1139D501-F1137 HydrophobicContact CB-CD2 3.92Å; D501-F1137 HydrophobicContact CB-CE2 3.96Å; D501-F1137 WeakPolarHBondContact OD2-CA 3.5Å; E502-F1137 HydrophobicContact CG-CE2 3.85Å; E502-F1137 HydrophobicContact CG-CZ 3.56Å; F543-F1137 HydrophobicContact CB-CE1 4.44Å; F543-F1137 HydrophobicContact CD1-CD1 4.37Å; F543-F1137 AromaticContact CD2-CD1 3.57Å; F543-F1137 HydrophobicContact CD2-CD1 3.57Å; F543-F1137 AromaticContact CD2-CE1 3.76Å; F543-F1137 HydrophobicContact CD2-CE1 3.76Å; F543-F1137 HydrophobicContact CE1-CD1 4.28Å; F543-F1137 HydrophobicContact CE2-CB 4.48Å; F543-F1137 AromaticContact CE2-CD1 3.46Å; F543-F1137 HydrophobicContact CE2-CD1 3.46Å; F543-F1137 VanDerWaalsContact CE2-CD1 3.46Å; F543-F1137 HydrophobicContact CE2-CE1 4.15Å; F543-F1137 HydrophobicContact CE2-CG 4.41Å; F543-F1137 HydrophobicContact CG-CD1 4.03Å; F543-F1137 HydrophobicContact CG-CE1 4.02Å; F543-F1137 AromaticContact CZ-CD1 3.84Å; F543-F1137 HydrophobicContact CZ-CD1 3.84Å; L602-F1137 HydrophobicContact CD1-CD2 3.82Å; L602-F1137 HydrophobicContact CD1-CE2 3.94Å; L602-F1137 HydrophobicContact CD2-CB 4.43Å; L602-F1137 HydrophobicContact CD2-CD2 4.31Å; L602-F1137 HydrophobicContact CD2-CG 4.47Å; K683-F1137 PolarHBondContact NZ-O 2.86Å; K683-F1137 VanDerWaalsContact NZ-O 3.07Å; Y1135-F1137 HydrophobicContact CE2-CB 4.14Å; F1137-H1139 HydrophobicContact CD1-CB 3.57Å; F1137-H1139 HydrophobicContact CE1-CB 3.24Å; F1137-H1139 AromaticContact CE1-CG 3.93Å; F1137-H1139 HydrophobicContact CZ-CB 3.96Å; F1137-H1139 PolarHBondContact O-N 3.27Å
1138S62.2Low59.2Low45 Ų4555.1 Ų55.132%0.31531%0.309SS..  trans-89.715.2-173.149.80000116.5S499 P500 D501S499-S1138 PolarHBondContact OG-OG 3.31Å; P500-S1138 WeakPolarHBondContact CD-OG 3.38Å; D501-S1138 PolarHBondContact OD2-N 3.29Å; D501-S1138 PolarHBondContact OD2-OG 3.11Å
1139H64.4Low59.6Low3 Ų350.6 Ų50.61%0.01428%0.282CS..  trans-78.9147.8-179.7-156.6-64.3000112.9T482 Q498 E502 D542 F543 F1137T482-H1139 PolarHBondContact OG1-NE2 3.1Å; T482-H1139 VanDerWaalsContact OG1-NE2 3.08Å; Q498-H1139 PolarHBondContact OE1-CE1 3.09Å; Q498-H1139 PolarHBondContact OE1-ND1 3.4Å; Q498-H1139 PolarHBondContact OE1-NE2 2.97Å; E502-H1139 IonicContact OE1-CD2 3.74Å; E502-H1139 IonicContact OE1-NE2 2.7Å; D542-H1139 IonicContact OD1-CE1 3.86Å; F543-H1139 HydrophobicContact CB-CB 4.23Å; F543-H1139 HydrophobicContact CD1-CB 3.74Å; F543-H1139 WeakPolarHBondContact CD1-O 3.2Å; F543-H1139 HydrophobicContact CE1-CB 4.3Å; F543-H1139 VanDerWaalsContact CE1-O 3.31Å; F543-H1139 WeakPolarHBondContact CE1-O 3.08Å; F543-H1139 HydrophobicContact CG-CB 3.99Å; F1137-H1139 HydrophobicContact CD1-CB 3.57Å; F1137-H1139 HydrophobicContact CE1-CB 3.24Å; F1137-H1139 AromaticContact CE1-CG 3.93Å; F1137-H1139 HydrophobicContact CZ-CB 3.96Å; F1137-H1139 PolarHBondContact O-N 3.27Å
1140S59.4Low59.6Low67 Ų6755 Ų5547%0.46930%0.296SS..  trans-114.7155.3174.155.60000112.1Q498Q498-S1140 PolarHBondContact NE2-O 3.47Å; Q498-S1140 PolarHBondContact NE2-OG 2.87Å
1141Q61Low59.3Low102 Ų10259.2 Ų59.248%0.47730%0.304SS..THydrogen-bonded Turntrans-75.3144.3-171.7-174.8179.2-4.300112.3
1142G55.7Low58.7Low42 Ų4252.4 Ų52.443%0.43328%0.28SS..THydrogen-bonded Turntrans112.2-7.8164.400000115.7D542D542-G1142 WeakPolarHBondContact OD2-CA 3.38Å; D542-G1142 PolarHBondContact OD2-N 2.89Å
1143Y60.6Low57.5Low50 Ų5052.8 Ų52.820%0.19629%0.29CS..SBendtrans-81.3-25.4-177.6-143.9-95000112.9V182 D542 A1145 L1146 V1147V182-Y1143 HydrophobicContact CG2-CE2 4.02Å; D542-Y1143 PolarHBondContact OD2-N 3.27Å; Y1143-A1145 PolarHBondContact O-N 2.96Å; Y1143-L1146 HydrophobicContact CD2-CD1 3.82Å; Y1143-L1146 HydrophobicContact CE2-CD1 3.96Å; Y1143-L1146 HydrophobicContact CG-CD1 4.29Å; Y1143-L1146 WeakPolarHBondContact O-CB 3.47Å; Y1143-L1146 PolarHBondContact O-N 3.48Å; Y1143-L1146 VanDerWaalsContact O-N 3.1Å; Y1143-V1147 HydrophobicContact CD1-CG2 4.24Å; Y1143-V1147 PolarHBondContact O-N 3.02Å
1144G54.7Low56.3Low2 Ų258.9 Ų58.92%0.02131%0.31CS..Hα-helixtrans-58.3-37.6174.900000112.4D542 L1146 V1147 T1148D542-G1144 VanDerWaalsContact CG-N 3.3Å; D542-G1144 PolarHBondContact OD2-N 3.21Å; G1144-L1146 VanDerWaalsContact C-N 3.32Å; G1144-L1146 PolarHBondContact O-N 3.49Å; G1144-V1147 PolarHBondContact O-N 2.88Å; G1144-T1148 PolarHBondContact O-N 3.05Å; G1144-T1148 VanDerWaalsContact O-N 3.16Å; G1144-T1148 PolarHBondContact O-OG1 2.86Å
1145A57.5Low54.7Low68 Ų6868.9 Ų68.956%0.56235%0.353SS*.Hα-helixtrans-69.1-27.8177.600000113.6Y1143 S1149Y1143-A1145 PolarHBondContact O-N 2.96Å; A1145-S1149 PolarHBondContact O-N 3.45Å
1146L58.8Low52.2Low51 Ų5178.8 Ų78.827%0.26739%0.39SS..Hα-helixtrans-65.4-54.8170.4-85.3151.4000108.8Y1143 G1144 T1148 S1149 F1152Y1143-L1146 HydrophobicContact CD2-CD1 3.82Å; Y1143-L1146 HydrophobicContact CE2-CD1 3.96Å; Y1143-L1146 HydrophobicContact CG-CD1 4.29Å; Y1143-L1146 WeakPolarHBondContact O-CB 3.47Å; Y1143-L1146 PolarHBondContact O-N 3.48Å; Y1143-L1146 VanDerWaalsContact O-N 3.1Å; G1144-L1146 VanDerWaalsContact C-N 3.32Å; G1144-L1146 PolarHBondContact O-N 3.49Å; L1146-T1148 VanDerWaalsContact C-N 3.27Å; L1146-T1148 PolarHBondContact O-N 2.95Å; L1146-S1149 PolarHBondContact O-N 2.77Å; L1146-S1149 VanDerWaalsContact O-N 3.12Å; L1146-S1149 PolarHBondContact O-OG 2.9Å; L1146-F1152 WeakPolarHBondContact O-CE2 3.5Å
1147V60.4Low50.2Low9 Ų984 Ų846%0.05542%0.424CS..Hα-helixtrans-57.2-36.3-175.81780000113.3R519 Y1143 G1144R519-V1147 HydrophobicContact CG-CG1 4.46Å; Y1143-V1147 HydrophobicContact CD1-CG2 4.24Å; Y1143-V1147 PolarHBondContact O-N 3.02Å; G1144-V1147 PolarHBondContact O-N 2.88Å
1148T51.2Low48.1Very low57 Ų5792 Ų9235%0.3547%0.467SS..THydrogen-bonded Turntrans-91.30.7-177.858.30000114.5V540 G1144 L1146V540-T1148 HydrophobicContact CB-CG2 3.77Å; V540-T1148 HydrophobicContact CG2-CG2 3.58Å; G1144-T1148 PolarHBondContact O-N 3.05Å; G1144-T1148 VanDerWaalsContact O-N 3.16Å; G1144-T1148 PolarHBondContact O-OG1 2.86Å; L1146-T1148 VanDerWaalsContact C-N 3.27Å; L1146-T1148 PolarHBondContact O-N 2.95Å
1149S48.6Very low46.5Very low21 Ų2199.1 Ų99.115%0.14749%0.492CS..  trans-76.7134.6-179.369.30000111.4P521 A1145 L1146 R1151 F1152P521-S1149 WeakPolarHBondContact CG-O 3.24Å; A1145-S1149 PolarHBondContact O-N 3.45Å; L1146-S1149 PolarHBondContact O-N 2.77Å; L1146-S1149 VanDerWaalsContact O-N 3.12Å; L1146-S1149 PolarHBondContact O-OG 2.9Å; S1149-R1151 PolarHBondContact O-N 3.09Å; S1149-F1152 WeakPolarHBondContact O-CD2 3.4Å
1150E41.2Very low45Very low154 Ų154104 Ų10472%0.7253%0.526SS*.G310 helixtrans-60.11.9173.8-68.2-178.3176.500114.1F1152E1150-F1152 PolarHBondContact O-N 3.25Å
1151R41Very low43.5Very low160 Ų160108.4 Ų108.460%0.60454%0.544SS*.G310 helixtrans-80.97-169.9-54.2178.1175.7177.9-3.7114.2L164 S1149L164-R1151 HydrophobicContact CD1-CB 3.5Å; L164-R1151 VanDerWaalsContact CD1-CB 3.5Å; L164-R1151 HydrophobicContact CD1-CG 4.16Å; L164-R1151 HydrophobicContact CD2-CB 3.99Å; L164-R1151 HydrophobicContact CD2-CG 4.3Å; L164-R1151 HydrophobicContact CG-CB 4.08Å; S1149-R1151 PolarHBondContact O-N 3.09Å
1152F39.4Very low42.3Very low86 Ų86111.2 Ų111.238%0.37756%0.561SS.*G310 helixtrans-93.6-3.1-180-79.4-95.7000114.6P521 L1146 S1149 E1150 F1154P521-F1152 HydrophobicContact CG-CB 3.97Å; P521-F1152 HydrophobicContact CG-CD2 4.16Å; P521-F1152 HydrophobicContact CG-CG 4.35Å; L1146-F1152 WeakPolarHBondContact O-CE2 3.5Å; S1149-F1152 WeakPolarHBondContact O-CD2 3.4Å; E1150-F1152 PolarHBondContact O-N 3.25Å; F1152-F1154 PolarHBondContact O-N 2.74Å
1153L36Very low41Very low111 Ų111113.4 Ų113.458%0.58158%0.575SS**  trans-88.718.8-158.7-84.9168.5000118.4
1154F35.6Very low39.6Very low180 Ų180121.1 Ų121.179%0.78961%0.61SS**  trans-129.575.9175.8-75.5-75.7000114.5F1152 R1156F1152-F1154 PolarHBondContact O-N 2.74Å; F1154-R1156 PolarHBondContact O-N 3.12Å
1155K33.4Very low38.3Very low210 Ų210126.6 Ų126.691%0.91365%0.648SS**  trans-79.1102.4141.3-85.5-173.3176.1-179.30107.2
1156R27.9Very low37Very low226 Ų226127.7 Ų127.785%0.85366%0.657SS**  trans-58.6130167.1-86.3-178.3173.1175.5-0.2108.1F1154 L1158F1154-R1156 PolarHBondContact O-N 3.12Å; R1156-L1158 PolarHBondContact O-N 2.76Å
1157P30.6Very low35.6Very low114 Ų114134.2 Ų134.274%0.7469%0.686SS**  trans-64.9132.916811.5-5000108.2K1159P1157-K1159 PolarHBondContact O-N 3.4Å
1158L30.6Very low34.1Very low175 Ų175140 Ų14092%0.91672%0.722SS**  trans-53.9108.8167-103.6110.5000107.8R1156 S1160R1156-L1158 PolarHBondContact O-N 2.76Å; L1158-S1160 PolarHBondContact O-N 3.43Å
1159K29.1Very low33.1Very low193 Ų193146.8 Ų146.884%0.83975%0.75SS**  trans-64.3107.6165.2-85.3-176.7174.8-179.60107.1P1157 L1161P1157-K1159 PolarHBondContact O-N 3.4Å; K1159-L1161 PolarHBondContact O-N 3.21Å
1160S31.6Very low32.1Very low106 Ų106151.6 Ų151.674%0.74178%0.778SS**  trans-56.5107.2159.5143.30000107.5L1158L1158-S1160 PolarHBondContact O-N 3.43Å
1161L29Very low31.7Very low160 Ų160150.3 Ų150.384%0.83878%0.783SS**  trans-89.198.4164.7-100.6155.7000106.8K1159 A1163K1159-L1161 PolarHBondContact O-N 3.21Å; L1161-A1163 PolarHBondContact O-N 3.22Å
1162L35.4Very low31.1Very low160 Ų160153.9 Ų153.984%0.83880%0.797SS**  trans-63111.7157.3-85.2155.4000108.1
1163A28.6Very low30.7Very low89 Ų89155.4 Ų155.474%0.73682%0.816SS**  trans-144.4121.5159.100000109.6L1161L1161-A1163 PolarHBondContact O-N 3.22Å
1164F31Very low30.4Very low211 Ų211159.3 Ų159.393%0.92583%0.831SS**  trans-54.9133.3173.5-89.1-110.1000112.3
1165S27.1Very low30Very low117 Ų117158.7 Ų158.782%0.81884%0.835SS**  trans-154.3118.8134.370.80000110
1166A30.1Very low29.9Very low91 Ų91158.4 Ų158.475%0.75283%0.834SS**  trans-66.3134.1168.600000110.1
1167Q29.3Very low29.9Very low189 Ų189159.1 Ų159.188%0.88384%0.836SS**  trans-165.7132.1136.1-106.2165.510.700111.1
1168T30.3Very low30.4Very low131 Ų131159.4 Ų159.480%0.80484%0.838SS**  trans-47.9135.2172.638.20000114.4
1169E29.2Very low30.5Very low198 Ų198158.7 Ų158.793%0.92583%0.834SS**  trans-163.4138.6137.5-108.9172.9-155.600112
1170T28.3Very low31.5Very low123 Ų123155 Ų15576%0.75583%0.829SS**PPolyproline II helixtrans-72.2150.9-171.247.40000114.5
1171P31.6Very low31.9Very low127 Ų127163 Ų16383%0.82586%0.855SS**PPolyproline II helixtrans-84.3129175.832.5-30.5000112.2
1172R29.2Very low32Very low234 Ų234163.1 Ų163.188%0.88386%0.856SS**PPolyproline II helixtrans-102.6138.7161.9-81.8-174176.5-178.40.5110
1173P30.5Very low31.8Very low119 Ų119163.3 Ų163.377%0.77386%0.857SS**PPolyproline II helixtrans-81133.5-177.831.8-32.3000111.5
1174Q30.2Very low32Very low192 Ų192167.4 Ų167.490%0.89786%0.864SS**PPolyproline II helixtrans-86123.6171.1-79-176.2-12.200110.6
1175L28.1Very low32.1Very low167 Ų167164.8 Ų164.887%0.87486%0.86SS**PPolyproline II helixtrans-62.6133.2171.4-96.783.8000111.6
1176F30.7Very low32.4Very low204 Ų204167.8 Ų167.890%0.89586%0.863SS**PPolyproline II helixtrans-64.9135157.8-86.5-98.1000110.5
1177R28.5Very low32.5Very low241 Ų241172.9 Ų172.991%0.90987%0.87SS**  trans-114.1134.3163.4-113.7-174.8-174.2-178.92.2109.2
1178P39.3Very low32.8Very low120 Ų120171.8 Ų171.878%0.77987%0.869SS**PPolyproline II helixtrans-84.6156.5-178.834.5-33000112.3
1179I33.7Very low33Very low161 Ų161174.9 Ų174.983%0.82687%0.874SS**PPolyproline II helixtrans-70.5138.5174.2-58.1164.4000109.4
1180P50Low33.3Very low114 Ų114173 Ų17374%0.7487%0.87SS**PPolyproline II helixtrans-100.3150.5159.830.2-17.2000112
1181E39.3Very low33.7Very low274 Ų274177.5 Ų177.5100%1.2888%0.88SS**  trans-43.50-177.9-63.9175.115200117.1

Retrieved 1,181 of 1,181 residues in 1667.5 ms (Link to these results)

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