A0A087XSP7_POEFO Loading...

Serine/threonine-protein kinase greatwall

AlphaFold DB , UniProt , Accession A0A087XSP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 801 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
1M42.8Very low35.5Very low247 Ų247162.1 Ų162.1100%1.21783%0.828SS**  0128.10-73173.2170.300107.8
2E30.5Very low35.7Very low173 Ų173160 Ų16081%0.80882%0.82SS**  trans-154.8132.1170.4-162-179.4-135.800109.6
3V35.7Very low36.2Very low125 Ų125156.9 Ų156.976%0.75881%0.813SS**  trans-110.496.9-165.9-177.80000111.6K5V3-K5 HydrophobicContact CG1-CG 4.5Å; V3-K5 PolarHBondContact O-N 3.47Å
4K34.8Very low36.6Very low187 Ų187158.2 Ų158.281%0.81381%0.809SS**  trans-77.286.7176.8-73.6-177.8176.6174.30112.4K6K4-K6 PolarHBondContact O-N 2.7Å
5K35.3Very low36.8Very low172 Ų172154.1 Ų154.175%0.74880%0.8SS**  trans-66.791.7169.4-78.6-176.4174.2177.70112V3 H7V3-K5 HydrophobicContact CG1-CG 4.5Å; V3-K5 PolarHBondContact O-N 3.47Å; K5-H7 PolarHBondContact O-N 2.66Å; K5-H7 PolarHBondContact O-ND1 3.38Å
6K35.3Very low37.1Very low205 Ų205155.7 Ų155.789%0.89181%0.805SS**  trans-63.8112164.4-85.4-172.7173.7-179.40110K4K4-K6 PolarHBondContact O-N 2.7Å
7H33.7Very low37.7Very low166 Ų166156.1 Ų156.177%0.76980%0.803SS**  trans-76121.7168.1-7964.6000109.5K5K5-H7 PolarHBondContact O-N 2.66Å; K5-H7 PolarHBondContact O-ND1 3.38Å
8K33.9Very low38.6Very low206 Ų206155.4 Ų155.490%0.89680%0.799SS**  trans-9693.6175-171176-177.8-179.40108.7G10K8-G10 PolarHBondContact O-N 3.27Å
9V36.5Very low39.5Very low134 Ų134153.7 Ų153.781%0.81280%0.799SS**  trans-67.8100.8175.9178.90000108.7S11V9-S11 PolarHBondContact O-N 2.72Å
10G34Very low41.1Very low66 Ų66156.5 Ų156.568%0.6880%0.798SS**  trans-78.899.617300000110.2K8 N12K8-G10 PolarHBondContact O-N 3.27Å; G10-N12 PolarHBondContact O-N 2.95Å
11S37.5Very low42.8Very low102 Ų102154.3 Ų154.371%0.71380%0.795SS**  trans-71.868.5173.556.40000111.2V9 V13V9-S11 PolarHBondContact O-N 2.72Å; S11-V13 PolarHBondContact O-N 3.31Å
12N38.1Very low44.9Very low137 Ų137144.2 Ų144.273%0.73375%0.748SS**  trans-75.564.4173.4-168.3-1.4000110.2G10 K14G10-N12 PolarHBondContact O-N 2.95Å; N12-K14 VanDerWaalsContact C-N 3.26Å; N12-K14 PolarHBondContact O-N 2.91Å
13V42.1Very low47.7Very low120 Ų120138 Ų13873%0.72772%0.723SS**  trans-71.988.8169.5-177.40000106.8S11 S15S11-V13 PolarHBondContact O-N 3.31Å; V13-S15 PolarHBondContact O-N 3.42Å
14K42.5Very low50.5Low175 Ų175132.6 Ų132.676%0.76169%0.69SS**  trans-57106.8156.6-74.5-174.1174.8-175.50106.6N12 M16N12-K14 VanDerWaalsContact C-N 3.26Å; N12-K14 PolarHBondContact O-N 2.91Å; K14-M16 PolarHBondContact O-N 3.43Å
15S39.8Very low53.2Low97 Ų97127.6 Ų127.668%0.67867%0.672SS**  trans-56.2112.8167.648.50000107.6V13 E17V13-S15 PolarHBondContact O-N 3.42Å; S15-E17 PolarHBondContact O-N 2.71Å
16M40.9Very low55.9Low179 Ų179122.2 Ų122.288%0.88265%0.652SS**  trans-62.3108.2163-74.8-179.9164.400106.2K14 I18K14-M16 PolarHBondContact O-N 3.43Å; M16-I18 PolarHBondContact O-N 2.82Å
17E47Very low58.8Low162 Ų162112.5 Ų112.576%0.75761%0.609SS**  trans-61.7107171.3-70.3-163.8115.800107.7S15 P19S15-E17 PolarHBondContact O-N 2.71Å; E17-P19 VanDerWaalsContact O-CD 3.28Å; E17-P19 WeakPolarHBondContact O-CD 3.11Å
18I53.7Low61.8Low145 Ų145107.5 Ų107.574%0.74459%0.59SS**  trans-57.3120.2171.2-61.3172.9000105.9M16 R20M16-I18 PolarHBondContact O-N 2.82Å; I18-R20 PolarHBondContact O-N 3.46Å
19P57.2Low64.7Low122 Ų12299.2 Ų99.279%0.79256%0.557SS**  trans-58.9108.8-178-25.935.6000109.8E17E17-P19 VanDerWaalsContact O-CD 3.28Å; E17-P19 WeakPolarHBondContact O-CD 3.11Å
20R71.3Confident67.4Low209 Ų20995.4 Ų95.479%0.78953%0.532SS*.PPolyproline II helixtrans-66.3145.9177.6-57.8-175.1-164179.67.7108.6I18I18-R20 PolarHBondContact O-N 3.46Å
21P77.1Confident70.1Confident112 Ų11295.2 Ų95.273%0.72751%0.513SS*.PPolyproline II helixtrans-58143.7170.126.7-34.3000109.2S23P21-S23 PolarHBondContact O-N 3.39Å
22P85.5Confident72.7Confident35 Ų3592.2 Ų92.223%0.22749%0.49CS..PPolyproline II helixtrans-56.1132.5177.5-23.433.2000110.9D26 Y92 L94P22-D26 WeakPolarHBondContact CA-OD2 3.16Å; P22-Y92 HydrophobicContact CB-CD1 3.89Å; P22-Y92 HydrophobicContact CB-CE1 3.79Å; P22-Y92 HydrophobicContact CG-CD1 4.01Å; P22-Y92 HydrophobicContact CG-CE1 3.72Å; P22-L94 HydrophobicContact CB-CD2 4.15Å
23S90.5Very high75Confident41 Ų4186 Ų8629%0.28746%0.457SS..  trans-113.2162.1177.3-167.10000111.3P21 D25 D26 F27P21-S23 PolarHBondContact O-N 3.39Å; S23-D25 WeakPolarHBondContact CB-OD2 3.02Å; S23-D25 PolarHBondContact O-N 3.24Å; S23-D25 PolarHBondContact OG-N 3.01Å; S23-D25 PolarHBondContact OG-OD2 3.26Å; S23-D26 PolarHBondContact N-OD2 2.93Å; S23-D26 WeakPolarHBondContact O-CB 3.17Å; S23-D26 PolarHBondContact O-N 3.16Å; S23-D26 VanDerWaalsContact O-N 3.16Å; S23-F27 WeakPolarHBondContact O-CD2 3.29Å
24I92.9Very high77.1Confident13 Ų1381.4 Ų81.47%0.06743%0.43CS..G310 helixtrans-61.4-27.4165.6-17260.1000111D26 F27 I55 T96 Y101I24-D26 PolarHBondContact O-N 2.96Å; I24-D26 VanDerWaalsContact O-N 3.14Å; I24-F27 PolarHBondContact O-N 2.89Å; I24-I55 HydrophobicContact CD1-CD1 4.08Å; I24-I55 HydrophobicContact CD1-CG2 4.41Å; I24-T96 HydrophobicContact CG2-CG2 4.42Å; I24-Y101 HydrophobicContact CB-CE1 4.49Å; I24-Y101 HydrophobicContact CD1-CD1 3.45Å; I24-Y101 VanDerWaalsContact CD1-CD1 3.45Å; I24-Y101 HydrophobicContact CD1-CE1 3.84Å; I24-Y101 HydrophobicContact CD1-CG 4.03Å; I24-Y101 HydrophobicContact CG1-CD1 3.77Å; I24-Y101 HydrophobicContact CG1-CE1 3.63Å; I24-Y101 HydrophobicContact CG1-CG 4.35Å
25D92.6Very high78.8Confident82 Ų8280.3 Ų80.344%0.43942%0.421SS..G310 helixtrans-63.4-16.5175.3-47.9-64.6000113.6S23 F27 K47S23-D25 WeakPolarHBondContact CB-OD2 3.02Å; S23-D25 PolarHBondContact O-N 3.24Å; S23-D25 PolarHBondContact OG-N 3.01Å; S23-D25 PolarHBondContact OG-OD2 3.26Å; D25-F27 PolarHBondContact O-N 2.9Å; D25-K47 WeakPolarHBondContact O-CD 3.48Å; D25-K47 VanDerWaalsContact O-CE 3.3Å; D25-K47 WeakPolarHBondContact O-CE 3.19Å; D25-K47 PolarHBondContact O-NZ 2.83Å
26D92.7Very high80.2Confident59 Ų5977.6 Ų77.632%0.31641%0.409SS..G310 helixtrans-69.9-10.1172.9-66.9-36.8000112.4P22 S23 I24 K46 K47P22-D26 WeakPolarHBondContact CA-OD2 3.16Å; S23-D26 PolarHBondContact N-OD2 2.93Å; S23-D26 WeakPolarHBondContact O-CB 3.17Å; S23-D26 PolarHBondContact O-N 3.16Å; S23-D26 VanDerWaalsContact O-N 3.16Å; I24-D26 PolarHBondContact O-N 2.96Å; I24-D26 VanDerWaalsContact O-N 3.14Å; D26-K46 HydrophobicContact CB-CG 4.44Å; D26-K46 WeakPolarHBondContact O-CG 3.18Å; D26-K47 WeakPolarHBondContact O-CB 3.12Å; D26-K47 WeakPolarHBondContact O-CG 3.42Å; D26-K47 PolarHBondContact O-N 2.71Å
27F95.8Very high81.3Confident0 Ų072.4 Ų72.40%039%0.394CS..EExtended strand (participates in β ladder)trans-115.8140.9-174.4-58-95.8000111.3S23 I24 D25 A44 K46 Y53 I55 Y92 L94 V103S23-F27 WeakPolarHBondContact O-CD2 3.29Å; I24-F27 PolarHBondContact O-N 2.89Å; D25-F27 PolarHBondContact O-N 2.9Å; F27-A44 HydrophobicContact CB-CB 4.4Å; F27-K46 HydrophobicContact CD1-CB 3.81Å; F27-K46 HydrophobicContact CD1-CG 4.08Å; F27-K46 HydrophobicContact CE1-CB 3.75Å; F27-K46 HydrophobicContact CE1-CD 4Å; F27-K46 HydrophobicContact CE1-CG 3.84Å; F27-K46 HydrophobicContact CZ-CD 3.99Å; F27-K46 HydrophobicContact CZ-CG 4.16Å; F27-Y53 HydrophobicContact CD1-CD2 4.21Å; F27-Y53 AromaticContact CE1-CD2 3.82Å; F27-Y53 HydrophobicContact CE1-CD2 3.82Å; F27-Y53 HydrophobicContact CE1-CE2 4.15Å; F27-Y53 HydrophobicContact CE1-CG 4.1Å; F27-I55 HydrophobicContact CB-CD1 3.99Å; F27-I55 HydrophobicContact CD1-CD1 3.97Å; F27-I55 HydrophobicContact CG-CD1 3.92Å; F27-Y92 HydrophobicContact CZ-CD2 4.01Å; F27-Y92 AromaticContact CZ-CE2 3.99Å; F27-Y92 HydrophobicContact CZ-CE2 3.99Å; F27-L94 HydrophobicContact CE2-CD1 4.02Å; F27-V103 HydrophobicContact CD1-CG1 4.5Å; F27-V103 HydrophobicContact CE1-CG1 3.67Å; F27-V103 HydrophobicContact CE2-CG2 4.47Å; F27-V103 HydrophobicContact CZ-CG1 3.79Å; F27-V103 HydrophobicContact CZ-CG2 4.32Å
28T95.8Very high82.2Confident61 Ų6166.3 Ų66.337%0.37437%0.365SS..EExtended strand (participates in β ladder)trans-104.2111.7167.4-58.10000107.4L30 A44 R45 K47T28-L30 HydrophobicContact CG2-CD2 4.33Å; T28-A44 CarbonylContact O-C 3.51Å; T28-A44 VanDerWaalsContact O-CA 3.3Å; T28-A44 WeakPolarHBondContact O-CA 3.4Å; T28-R45 PolarHBondContact N-O 3.05Å; T28-R45 PolarHBondContact O-N 2.57Å; T28-K47 WeakPolarHBondContact OG1-CE 3.41Å
29V95Very high83.4Confident33 Ų3360.3 Ų60.320%0.234%0.339CS..EExtended strand (participates in β ladder)trans-64.7132.7171.1169.20000108.9Y42 A44 F452V29-Y42 HydrophobicContact CG1-CD1 3.62Å; V29-Y42 HydrophobicContact CG1-CE1 4.38Å; V29-Y42 HydrophobicContact CG1-CG 4.09Å; V29-A44 HydrophobicContact CG2-CB 4.34Å; V29-F452 HydrophobicContact CB-CZ 4.46Å; V29-F452 HydrophobicContact CG2-CZ 4.07Å
30L93.3Very high84.9Confident54 Ų5458.7 Ų58.728%0.28332%0.32SS..EExtended strand (participates in β ladder)trans-100.7-57.3-179.7-56.6-173.6000111.1T28 L43 R45 L52 T780T28-L30 HydrophobicContact CG2-CD2 4.33Å; L30-L43 HydrophobicContact CB-CG 4.48Å; L30-L43 HydrophobicContact CD1-CD2 4.27Å; L30-L43 HydrophobicContact CD1-CG 4.26Å; L30-L43 PolarHBondContact N-O 3.09Å; L30-R45 HydrophobicContact CD1-CB 4.2Å; L30-R45 HydrophobicContact CD2-CB 4.27Å; L30-R45 HydrophobicContact CG-CB 4.34Å; L30-L52 HydrophobicContact CD1-CD2 3.71Å; L30-T780 HydrophobicContact CD1-CG2 3.75Å
31K91.5Very high85.9Confident62 Ų6249.8 Ų49.827%0.2729%0.289SS..EExtended strand (participates in β ladder)trans-154.7150.5176.848.8174.7161.9170.90112Y42 L43 T780 T782K31-Y42 CarbonylContact O-C 3.55Å; K31-Y42 WeakPolarHBondContact O-CA 3.21Å; K31-L43 HydrophobicContact CG-CB 4.4Å; K31-L43 HydrophobicContact CG-CD2 4.43Å; K31-L43 PolarHBondContact N-O 3.49Å; K31-L43 PolarHBondContact O-N 2.87Å; K31-T780 WeakPolarHBondContact CE-O 3.44Å; K31-T780 PolarHBondContact NZ-O 3.33Å; K31-T782 HydrophobicContact CD-CG2 4.01Å; K31-T782 VanDerWaalsContact CE-CG2 3.43Å; K31-T782 PolarHBondContact NZ-OG1 2.66Å
32P90.9Very high86.8Confident38 Ų3845.5 Ų45.525%0.24726%0.258CS..EExtended strand (participates in β ladder)trans-59.3146.916228.4-36.8000110.8Y42 V796P32-Y42 HydrophobicContact CB-CD1 3.94Å; P32-Y42 HydrophobicContact CB-CE1 3.99Å; P32-V796 HydrophobicContact CB-CG1 3.63Å; P32-V796 HydrophobicContact CG-CG1 3.36Å
33I88.1Confident87.2Confident7 Ų743.8 Ų43.84%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-126.1-29.5178.763.7176.4000113.7V41 L43 A54 Y106 T782 F785 N789I33-V41 HydrophobicContact CD1-CG1 3.92Å; I33-V41 HydrophobicContact CG1-CB 4.06Å; I33-V41 HydrophobicContact CG1-CG1 3.87Å; I33-V41 PolarHBondContact N-O 3.4Å; I33-L43 HydrophobicContact CG2-CB 3.65Å; I33-A54 HydrophobicContact CD1-CB 4.36Å; I33-Y106 HydrophobicContact CD1-CD2 4.29Å; I33-Y106 HydrophobicContact CD1-CE2 3.98Å; I33-T782 HydrophobicContact CB-CG2 4.44Å; I33-T782 HydrophobicContact CG2-CG2 3.48Å; I33-T782 VanDerWaalsContact CG2-CG2 3.48Å; I33-F785 HydrophobicContact CB-CG 4.46Å; I33-F785 HydrophobicContact CD1-CE1 4.41Å; I33-F785 HydrophobicContact CD1-CZ 4.3Å; I33-N789 PolarHBondContact O-ND2 3.04Å
34S84.3Confident87.5Confident23 Ų2341.9 Ų41.916%0.16123%0.234CC..EExtended strand (participates in β ladder)trans-154.7159.1178.8179.90000111V41S34-V41 PolarHBondContact N-O 2.86Å; S34-V41 PolarHBondContact O-N 2.85Å
35R79.7Confident87.7Confident152 Ų15244.7 Ų44.757%0.57424%0.243SC*.EExtended strand (participates in β ladder)trans-134107175.7179-176.4179.8173.1-1.4108.9K40 I794R35-K40 HydrophobicContact CG-CG 4.48Å; R35-I794 HydrophobicContact CB-CD1 4.35Å; R35-I794 HydrophobicContact CB-CG2 4.03Å
36G67.9Low87.8Confident41 Ų4141.9 Ų41.942%0.42323%0.227SC..EExtended strand (participates in β ladder)trans-98.1179.5175.700000112.4F38 G39G36-F38 PolarHBondContact O-N 2.7Å; G36-G39 PolarHBondContact N-O 3.47Å; G36-G39 PolarHBondContact O-N 3.2Å
37A64.4Low87.8Confident69 Ų6944.2 Ų44.257%0.5724%0.235SC*.THydrogen-bonded Turntrans-59.7-35.117600000112.9
38F65.4Low87.4Confident34 Ų3448.6 Ų48.615%0.14927%0.265CS..THydrogen-bonded Turntrans-83.1-20.3-174.8-45.5-66.3000114G36 M58 M68 Q71G36-F38 PolarHBondContact O-N 2.7Å; F38-M58 HydrophobicContact CB-SD 4.42Å; F38-M58 WeakPolarHBondContact O-CG 3.45Å; F38-M68 HydrophobicContact CD1-CE 4.04Å; F38-M68 HydrophobicContact CD1-CG 4.44Å; F38-M68 HydrophobicContact CD1-SD 3.57Å; F38-M68 VanDerWaalsContact CD1-SD 3.57Å; F38-M68 HydrophobicContact CE1-CE 3.73Å; F38-M68 HydrophobicContact CE1-CG 4.49Å; F38-M68 HydrophobicContact CE1-SD 3.85Å; F38-Q71 HydrophobicContact CD1-CG 4.27Å; F38-Q71 HydrophobicContact CE1-CG 3.81Å; F38-Q71 VanDerWaalsContact CE1-NE2 3.27Å; F38-Q71 HydrophobicContact CZ-CG 4.38Å
39G79.6Confident87.1Confident19 Ų1949.7 Ų49.720%0.19627%0.269CS..EExtended strand (participates in β ladder)trans162.9-173.2-173.200000115.2G36 V57G36-G39 PolarHBondContact N-O 3.47Å; G36-G39 PolarHBondContact O-N 3.2Å; G39-V57 VanDerWaalsContact CA-O 3.31Å; G39-V57 WeakPolarHBondContact CA-O 3.42Å
40K89.6Confident86.8Confident88 Ų8850.9 Ų50.938%0.38328%0.282SS..EExtended strand (participates in β ladder)trans-98.1137.4176-68.3178.2-179.5179.40109.6R35 Y42 V57R35-K40 HydrophobicContact CG-CG 4.48Å; K40-Y42 HydrophobicContact CB-CD2 4.24Å; K40-Y42 HydrophobicContact CB-CE2 3.47Å; K40-Y42 VanDerWaalsContact CB-CE2 3.47Å; K40-Y42 HydrophobicContact CD-CE2 4.31Å; K40-Y42 WeakPolarHBondContact CD-OH 3.31Å; K40-V57 PolarHBondContact N-O 3.4Å; K40-V57 VanDerWaalsContact N-O 3.17Å; K40-V57 PolarHBondContact O-N 3.31Å
41V92.4Very high86.7Confident22 Ų2253 Ų5313%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-103.5133.5172.6-168.10000109I33 S34 A54 I55 K56I33-V41 HydrophobicContact CD1-CG1 3.92Å; I33-V41 HydrophobicContact CG1-CB 4.06Å; I33-V41 HydrophobicContact CG1-CG1 3.87Å; I33-V41 PolarHBondContact N-O 3.4Å; S34-V41 PolarHBondContact N-O 2.86Å; S34-V41 PolarHBondContact O-N 2.85Å; V41-A54 HydrophobicContact CG1-CB 4.26Å; V41-I55 WeakPolarHBondContact CA-O 3.37Å; V41-K56 HydrophobicContact CG2-CB 4.33Å; V41-K56 HydrophobicContact CG2-CG 4.18Å
42Y94.1Very high86.9Confident22 Ų2251 Ų519%0.08628%0.279CS..EExtended strand (participates in β ladder)trans-123.2141.3-179.1-61.9-99.9000111.4V29 K31 P32 K40 I55 V57V29-Y42 HydrophobicContact CG1-CD1 3.62Å; V29-Y42 HydrophobicContact CG1-CE1 4.38Å; V29-Y42 HydrophobicContact CG1-CG 4.09Å; K31-Y42 CarbonylContact O-C 3.55Å; K31-Y42 WeakPolarHBondContact O-CA 3.21Å; P32-Y42 HydrophobicContact CB-CD1 3.94Å; P32-Y42 HydrophobicContact CB-CE1 3.99Å; K40-Y42 HydrophobicContact CB-CD2 4.24Å; K40-Y42 HydrophobicContact CB-CE2 3.47Å; K40-Y42 VanDerWaalsContact CB-CE2 3.47Å; K40-Y42 HydrophobicContact CD-CE2 4.31Å; K40-Y42 WeakPolarHBondContact CD-OH 3.31Å; Y42-I55 PolarHBondContact N-O 3.27Å; Y42-I55 PolarHBondContact O-N 3.37Å; Y42-V57 HydrophobicContact CD2-CB 4.38Å; Y42-V57 HydrophobicContact CD2-CG2 3.71Å; Y42-V57 HydrophobicContact CE2-CB 4.15Å; Y42-V57 HydrophobicContact CE2-CG2 3.89Å
43L95.6Very high87.1Confident0 Ų049.7 Ų49.70%027%0.269CS..EExtended strand (participates in β ladder)trans-74.2127.6161.3177.564000108.4L30 K31 I33 L52 Y106 T780 T782L30-L43 HydrophobicContact CB-CG 4.48Å; L30-L43 HydrophobicContact CD1-CD2 4.27Å; L30-L43 HydrophobicContact CD1-CG 4.26Å; L30-L43 PolarHBondContact N-O 3.09Å; K31-L43 HydrophobicContact CG-CB 4.4Å; K31-L43 HydrophobicContact CG-CD2 4.43Å; K31-L43 PolarHBondContact N-O 3.49Å; K31-L43 PolarHBondContact O-N 2.87Å; I33-L43 HydrophobicContact CG2-CB 3.65Å; L43-L52 HydrophobicContact CD1-CB 4.09Å; L43-L52 HydrophobicContact CD1-CD1 4.42Å; L43-L52 HydrophobicContact CD1-CD2 4.15Å; L43-L52 HydrophobicContact CD1-CG 4.45Å; L43-Y106 HydrophobicContact CD1-CD1 3.66Å; L43-Y106 HydrophobicContact CD1-CD2 3.81Å; L43-Y106 HydrophobicContact CD1-CE1 3.82Å; L43-Y106 HydrophobicContact CD1-CE2 3.98Å; L43-Y106 HydrophobicContact CD1-CG 3.66Å; L43-Y106 HydrophobicContact CD2-CE1 4.49Å; L43-T780 HydrophobicContact CD2-CG2 4.3Å; L43-T782 HydrophobicContact CD2-CG2 4.37Å
44A96.5Very high87.5Confident0 Ų049.8 Ų49.80%027%0.27CS..EExtended strand (participates in β ladder)trans-136.4153.5178.400000111.7F27 T28 V29 L52 Y53 I55F27-A44 HydrophobicContact CB-CB 4.4Å; T28-A44 CarbonylContact O-C 3.51Å; T28-A44 VanDerWaalsContact O-CA 3.3Å; T28-A44 WeakPolarHBondContact O-CA 3.4Å; V29-A44 HydrophobicContact CG2-CB 4.34Å; A44-L52 CarbonylContact O-C 3.47Å; A44-L52 WeakPolarHBondContact O-CA 3Å; A44-Y53 PolarHBondContact N-O 3.04Å; A44-Y53 PolarHBondContact O-N 3.02Å; A44-I55 HydrophobicContact CB-CD1 3.51Å; A44-I55 HydrophobicContact CB-CG1 3.94Å
45R95.9Very high88Confident73 Ų7348.8 Ų48.828%0.27526%0.263SS..EExtended strand (participates in β ladder)trans-113.9126.7177.8-163.7-178.3-67-95.88.7109.6T28 L30 A50 R51 L52 E779 T780T28-R45 PolarHBondContact N-O 3.05Å; T28-R45 PolarHBondContact O-N 2.57Å; L30-R45 HydrophobicContact CD1-CB 4.2Å; L30-R45 HydrophobicContact CD2-CB 4.27Å; L30-R45 HydrophobicContact CG-CB 4.34Å; R45-A50 WeakPolarHBondContact CG-O 3.32Å; R45-A50 PolarHBondContact NH1-O 2.92Å; R45-A50 VanDerWaalsContact NH1-O 3.12Å; R45-R51 WeakPolarHBondContact CA-O 3.48Å; R45-L52 HydrophobicContact CB-CD2 3.9Å; R45-L52 HydrophobicContact CG-CD2 3.99Å; R45-E779 IonicContact NH1-OE2 2.73Å; R45-T780 VanDerWaalsContact NH2-CG2 3.35Å
46K94.4Very high88.7Confident22 Ų2242.2 Ų42.210%0.09624%0.239CC..EExtended strand (participates in β ladder)trans-77.4127.1177.4-168.2-179.3-174.6-178.30110.8D26 F27 S48 N49 A50 R51 Y53 Y92D26-K46 HydrophobicContact CB-CG 4.44Å; D26-K46 WeakPolarHBondContact O-CG 3.18Å; F27-K46 HydrophobicContact CD1-CB 3.81Å; F27-K46 HydrophobicContact CD1-CG 4.08Å; F27-K46 HydrophobicContact CE1-CB 3.75Å; F27-K46 HydrophobicContact CE1-CD 4Å; F27-K46 HydrophobicContact CE1-CG 3.84Å; F27-K46 HydrophobicContact CZ-CD 3.99Å; F27-K46 HydrophobicContact CZ-CG 4.16Å; K46-S48 WeakPolarHBondContact CE-OG 3.3Å; K46-S48 PolarHBondContact O-N 3.26Å; K46-N49 PolarHBondContact O-N 2.84Å; K46-A50 WeakPolarHBondContact O-CA 3.38Å; K46-A50 PolarHBondContact O-N 2.81Å; K46-R51 PolarHBondContact N-O 3.44Å; K46-Y53 HydrophobicContact CB-CD2 4Å; K46-Y53 HydrophobicContact CB-CE2 3.52Å; K46-Y53 HydrophobicContact CD-CE2 4.46Å; K46-Y92 PolarHBondContact NZ-OH 2.93Å
47K92.7Very high89.9Confident109 Ų10941.5 Ų41.547%0.47423%0.226SC..THydrogen-bonded Turntrans-60.6-29.9-173.5-65.3172.1-175.2170.40113.2D25 D26 T28D25-K47 WeakPolarHBondContact O-CD 3.48Å; D25-K47 VanDerWaalsContact O-CE 3.3Å; D25-K47 WeakPolarHBondContact O-CE 3.19Å; D25-K47 PolarHBondContact O-NZ 2.83Å; D26-K47 WeakPolarHBondContact O-CB 3.12Å; D26-K47 WeakPolarHBondContact O-CG 3.42Å; D26-K47 PolarHBondContact O-N 2.71Å; T28-K47 WeakPolarHBondContact OG1-CE 3.41Å
48S88.8Confident91.2Very high91 Ų9138.2 Ų38.264%0.63620%0.199SC*.THydrogen-bonded Turntrans-80.2-19.8-175.1680000115.6K46K46-S48 WeakPolarHBondContact CE-OG 3.3Å; K46-S48 PolarHBondContact O-N 3.26Å
49N88.1Confident92.4Very high85 Ų8542.2 Ų42.246%0.45522%0.216SC..THydrogen-bonded Turntrans-145.52.8-173.669.6-2.9000114.6K46 R51K46-N49 PolarHBondContact O-N 2.84Å; N49-R51 PolarHBondContact O-N 3.18Å; N49-R51 WeakPolarHBondContact OD1-CB 3.39Å; N49-R51 PolarHBondContact OD1-N 3.27Å; N49-R51 VanDerWaalsContact OD1-N 3.1Å
50A88.9Confident93Very high58 Ų5842.3 Ų42.348%0.47921%0.211SC..  trans57.76.7-176.800000116.8R45 K46R45-A50 WeakPolarHBondContact CG-O 3.32Å; R45-A50 PolarHBondContact NH1-O 2.92Å; R45-A50 VanDerWaalsContact NH1-O 3.12Å; K46-A50 WeakPolarHBondContact O-CA 3.38Å; K46-A50 PolarHBondContact O-N 2.81Å
51R92.4Very high93Very high99 Ų9940.9 Ų40.937%0.37422%0.216SC..  trans-68.7144.1176.9-176.1169.6-178.31621.8110.6R45 K46 N49 Y53 D197R45-R51 WeakPolarHBondContact CA-O 3.48Å; K46-R51 PolarHBondContact N-O 3.44Å; N49-R51 PolarHBondContact O-N 3.18Å; N49-R51 WeakPolarHBondContact OD1-CB 3.39Å; N49-R51 PolarHBondContact OD1-N 3.27Å; N49-R51 VanDerWaalsContact OD1-N 3.1Å; R51-Y53 HydrophobicContact CB-CE2 3.8Å; R51-Y53 HydrophobicContact CG-CE2 3.95Å; R51-Y53 VanDerWaalsContact O-CD2 3.26Å; R51-Y53 WeakPolarHBondContact O-CD2 3.39Å; R51-Y53 VanDerWaalsContact O-CE2 3.31Å; R51-Y53 WeakPolarHBondContact O-CE2 3.43Å; R51-D197 IonicContact CZ-OD2 2.7Å; R51-D197 VanDerWaalsContact CZ-OD2 3.22Å; R51-D197 IonicContact NH1-OD2 3.99Å; R51-D197 PolarHBondContact NH1-OD2 3.5Å; R51-D197 IonicContact NH2-OD2 3.47Å; R51-D197 PolarHBondContact NH2-OD2 3.18Å
52L94.8Very high92.8Very high20 Ų2042.3 Ų42.311%0.10522%0.223CC..EExtended strand (participates in β ladder)trans-87.7147176.8-64.1174.8000111.8L30 L43 A44 R45 Y106 E779 T780L30-L52 HydrophobicContact CD1-CD2 3.71Å; L43-L52 HydrophobicContact CD1-CB 4.09Å; L43-L52 HydrophobicContact CD1-CD1 4.42Å; L43-L52 HydrophobicContact CD1-CD2 4.15Å; L43-L52 HydrophobicContact CD1-CG 4.45Å; A44-L52 CarbonylContact O-C 3.47Å; A44-L52 WeakPolarHBondContact O-CA 3Å; R45-L52 HydrophobicContact CB-CD2 3.9Å; R45-L52 HydrophobicContact CG-CD2 3.99Å; L52-Y106 HydrophobicContact CB-CD1 4.35Å; L52-Y106 HydrophobicContact CD1-CD1 4.46Å; L52-E779 HydrophobicContact CD1-CB 3.81Å; L52-E779 WeakPolarHBondContact CD1-O 3.31Å; L52-T780 HydrophobicContact CD1-CG2 3.97Å; L52-T780 HydrophobicContact CD2-CG2 4.21Å
53Y95.8Very high92.5Very high9 Ų941.5 Ų41.54%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-144.3148.7-176.8-63.9-89.8000109.8F27 A44 K46 R51 F91 V103 M104F27-Y53 HydrophobicContact CD1-CD2 4.21Å; F27-Y53 AromaticContact CE1-CD2 3.82Å; F27-Y53 HydrophobicContact CE1-CD2 3.82Å; F27-Y53 HydrophobicContact CE1-CE2 4.15Å; F27-Y53 HydrophobicContact CE1-CG 4.1Å; A44-Y53 PolarHBondContact N-O 3.04Å; A44-Y53 PolarHBondContact O-N 3.02Å; K46-Y53 HydrophobicContact CB-CD2 4Å; K46-Y53 HydrophobicContact CB-CE2 3.52Å; K46-Y53 HydrophobicContact CD-CE2 4.46Å; R51-Y53 HydrophobicContact CB-CE2 3.8Å; R51-Y53 HydrophobicContact CG-CE2 3.95Å; R51-Y53 VanDerWaalsContact O-CD2 3.26Å; R51-Y53 WeakPolarHBondContact O-CD2 3.39Å; R51-Y53 VanDerWaalsContact O-CE2 3.31Å; R51-Y53 WeakPolarHBondContact O-CE2 3.43Å; Y53-F91 AromaticContact CD1-CD2 3.66Å; Y53-F91 HydrophobicContact CD1-CD2 3.66Å; Y53-F91 AromaticContact CD1-CE2 3.94Å; Y53-F91 HydrophobicContact CD1-CE2 3.94Å; Y53-F91 HydrophobicContact CD1-CG 4.49Å; Y53-F91 AromaticContact CE1-CD2 3.46Å; Y53-F91 HydrophobicContact CE1-CD2 3.46Å; Y53-F91 VanDerWaalsContact CE1-CD2 3.46Å; Y53-F91 AromaticContact CE1-CE2 3.65Å; Y53-F91 HydrophobicContact CE1-CE2 3.65Å; Y53-F91 AromaticContact CE1-CG 4Å; Y53-F91 HydrophobicContact CE1-CG 4Å; Y53-F91 HydrophobicContact CE1-CZ 4.35Å; Y53-V103 HydrophobicContact CD1-CG1 3.8Å; Y53-V103 HydrophobicContact CG-CG1 3.98Å; Y53-M104 WeakPolarHBondContact CA-O 3.31Å; Y53-M104 WeakPolarHBondContact CB-O 3.4Å
54A95.6Very high92.1Very high9 Ų944.3 Ų44.37%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-93.2126.7165.800000109.1I33 V41 M104 Y106I33-A54 HydrophobicContact CD1-CB 4.36Å; V41-A54 HydrophobicContact CG1-CB 4.26Å; A54-M104 HydrophobicContact CB-CE 4.39Å; A54-M104 PolarHBondContact N-O 3.31Å; A54-M104 PolarHBondContact O-N 2.72Å; A54-Y106 HydrophobicContact CB-CD2 4.49Å
55I95.6Very high91.6Very high2 Ų250.2 Ų50.21%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-115.4110.5179.3-53.8-173.2000109.6I24 F27 V41 Y42 A44 V57 Y101 L102 V103I24-I55 HydrophobicContact CD1-CD1 4.08Å; I24-I55 HydrophobicContact CD1-CG2 4.41Å; F27-I55 HydrophobicContact CB-CD1 3.99Å; F27-I55 HydrophobicContact CD1-CD1 3.97Å; F27-I55 HydrophobicContact CG-CD1 3.92Å; V41-I55 WeakPolarHBondContact CA-O 3.37Å; Y42-I55 PolarHBondContact N-O 3.27Å; Y42-I55 PolarHBondContact O-N 3.37Å; A44-I55 HydrophobicContact CB-CD1 3.51Å; A44-I55 HydrophobicContact CB-CG1 3.94Å; I55-V57 HydrophobicContact CG2-CG2 3.92Å; I55-Y101 HydrophobicContact CG2-CD1 4.09Å; I55-L102 WeakPolarHBondContact CA-O 3.29Å; I55-V103 HydrophobicContact CD1-CG2 4.21Å; I55-V103 HydrophobicContact CG1-CG1 4.26Å; I55-V103 HydrophobicContact CG1-CG2 4.19Å; I55-V103 HydrophobicContact CG2-CG2 4.38Å
56K93.8Very high91.1Very high15 Ų1551.9 Ų51.97%0.06528%0.278CS..EExtended strand (participates in β ladder)trans-82.1114.2171.7-169.4-178.6-162-176.50108.2V41 M58 E75 Y101 L102 M104 D168V41-K56 HydrophobicContact CG2-CB 4.33Å; V41-K56 HydrophobicContact CG2-CG 4.18Å; K56-M58 HydrophobicContact CD-SD 4.21Å; K56-M58 HydrophobicContact CG-CG 4.29Å; K56-M58 HydrophobicContact CG-SD 4.29Å; K56-E75 WeakPolarHBondContact CD-OE1 3.36Å; K56-E75 IonicContact NZ-OE1 2.7Å; K56-E75 PolarHBondContact NZ-OE1 3.13Å; K56-E75 IonicContact NZ-OE2 2.7Å; K56-E75 PolarHBondContact NZ-OE2 3.03Å; K56-Y101 WeakPolarHBondContact O-CA 3.39Å; K56-L102 HydrophobicContact CB-CB 4.31Å; K56-L102 PolarHBondContact N-O 2.79Å; K56-L102 PolarHBondContact O-N 2.78Å; K56-M104 HydrophobicContact CB-CE 3.86Å; K56-D168 IonicContact NZ-OD1 2.66Å; K56-D168 PolarHBondContact NZ-OD1 2.81Å
57V93.6Very high90.6Very high25 Ų2557.1 Ų57.115%0.15231%0.307CS..EExtended strand (participates in β ladder)trans-107.6121.9-176-1740000109.9G39 K40 Y42 I55 K99 Y101G39-V57 VanDerWaalsContact CA-O 3.31Å; G39-V57 WeakPolarHBondContact CA-O 3.42Å; K40-V57 PolarHBondContact N-O 3.4Å; K40-V57 VanDerWaalsContact N-O 3.17Å; K40-V57 PolarHBondContact O-N 3.31Å; Y42-V57 HydrophobicContact CD2-CB 4.38Å; Y42-V57 HydrophobicContact CD2-CG2 3.71Å; Y42-V57 HydrophobicContact CE2-CB 4.15Å; Y42-V57 HydrophobicContact CE2-CG2 3.89Å; I55-V57 HydrophobicContact CG2-CG2 3.92Å; V57-K99 HydrophobicContact CG1-CD 4.4Å; V57-Y101 HydrophobicContact CB-CD1 4.42Å; V57-Y101 HydrophobicContact CG1-CD1 4.07Å; V57-Y101 HydrophobicContact CG1-CE1 3.8Å; V57-Y101 HydrophobicContact CG2-CD1 3.78Å; V57-Y101 HydrophobicContact CG2-CE1 4.08Å
58M91.4Very high90.2Very high1 Ų153.8 Ų53.81%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-128137.9-172.4-54.5170.5-74.700109.3F38 K56 M63 M72 K99 I100 L102F38-M58 HydrophobicContact CB-SD 4.42Å; F38-M58 WeakPolarHBondContact O-CG 3.45Å; K56-M58 HydrophobicContact CD-SD 4.21Å; K56-M58 HydrophobicContact CG-CG 4.29Å; K56-M58 HydrophobicContact CG-SD 4.29Å; M58-M63 HydrophobicContact CB-SD 3.63Å; M58-M72 HydrophobicContact CE-CG 3.45Å; M58-M72 VanDerWaalsContact CE-CG 3.45Å; M58-M72 HydrophobicContact CE-SD 3.93Å; M58-M72 HydrophobicContact SD-CB 4.49Å; M58-M72 HydrophobicContact SD-CG 3.54Å; M58-M72 VanDerWaalsContact SD-CG 3.54Å; M58-K99 CarbonylContact O-C 3.57Å; M58-K99 VanDerWaalsContact O-CA 3.31Å; M58-K99 WeakPolarHBondContact O-CA 3.26Å; M58-I100 HydrophobicContact CE-CB 4.39Å; M58-I100 HydrophobicContact CE-CG2 3.97Å; M58-I100 PolarHBondContact N-O 3.42Å; M58-I100 PolarHBondContact O-N 3.34Å; M58-L102 HydrophobicContact CE-CD1 3.8Å; M58-L102 HydrophobicContact CE-CG 3.73Å
59K91.6Very high90Very high118 Ų11850.6 Ų50.651%0.51327%0.273SS..EExtended strand (participates in β ladder)trans-87.3134.1178.4-79.6-179169.9-168.70110.1A61 D62 M63K59-A61 PolarHBondContact O-N 2.91Å; K59-D62 HydrophobicContact CB-CB 3.93Å; K59-D62 WeakPolarHBondContact CB-OD1 3.3Å; K59-D62 WeakPolarHBondContact CD-OD1 3.41Å; K59-M63 WeakPolarHBondContact O-CG 3.5Å; K59-M63 PolarHBondContact O-N 2.83Å
60K91.5Very high89.8Confident20 Ų2050.5 Ų50.59%0.08728%0.279CS..Hα-helixtrans-65.3-37.3-179.4-74.7-178.9169.5-177.30113.1M63 V64 T96 A97 A98 I100 G213 F214K60-M63 PolarHBondContact O-N 3.32Å; K60-V64 PolarHBondContact O-N 2.8Å; K60-T96 WeakPolarHBondContact CE-O 3.31Å; K60-T96 PolarHBondContact NZ-O 3.38Å; K60-A97 WeakPolarHBondContact CD-O 3.44Å; K60-A98 PolarHBondContact N-O 3.33Å; K60-I100 HydrophobicContact CD-CD1 4.35Å; K60-I100 HydrophobicContact CD-CG1 4.19Å; K60-I100 HydrophobicContact CG-CD1 3.78Å; K60-I100 HydrophobicContact CG-CG1 3.74Å; K60-G213 WeakPolarHBondContact CD-O 3.34Å; K60-G213 VanDerWaalsContact CE-O 3.32Å; K60-G213 WeakPolarHBondContact CE-O 3.44Å; K60-G213 PolarHBondContact NZ-O 3.24Å; K60-F214 HydrophobicContact CG-CD1 4.49Å; K60-F214 HydrophobicContact CG-CE1 4.49Å
61A90.2Very high89.6Confident58 Ų5849 Ų4948%0.47926%0.262SS..Hα-helixtrans-59.5-64173.400000110.7K59 M63 V64 D65K59-A61 PolarHBondContact O-N 2.91Å; A61-M63 PolarHBondContact O-N 3.17Å; A61-V64 WeakPolarHBondContact O-CA 3.42Å; A61-V64 PolarHBondContact O-N 2.86Å; A61-D65 PolarHBondContact O-N 2.95Å; A61-D65 VanDerWaalsContact O-OD2 3.09Å
62D87.9Confident89.3Confident52 Ų5244.6 Ų44.628%0.27825%0.246SC..Hα-helixtrans-42.7-38.5176-73.463.1000114.1K59 D65 K66K59-D62 HydrophobicContact CB-CB 3.93Å; K59-D62 WeakPolarHBondContact CB-OD1 3.3Å; K59-D62 WeakPolarHBondContact CD-OD1 3.41Å; D62-D65 PolarHBondContact N-OD2 2.84Å; D62-K66 HydrophobicContact CB-CD 4.42Å; D62-K66 WeakPolarHBondContact O-CB 3.25Å; D62-K66 VanDerWaalsContact O-CD 3.29Å; D62-K66 WeakPolarHBondContact O-CD 3.41Å; D62-K66 WeakPolarHBondContact O-CG 3.39Å; D62-K66 PolarHBondContact O-N 2.93Å; D62-K66 IonicContact OD2-NZ 2.7Å; D62-K66 PolarHBondContact OD2-NZ 3.4Å
63M86.9Confident88.9Confident5 Ų546.7 Ų46.73%0.02525%0.254CS..Hα-helixtrans-77-28.6-178.1-69.617464.300114.5M58 K59 K60 A61 M68 A69 M72 I100 F214M58-M63 HydrophobicContact CB-SD 3.63Å; K59-M63 WeakPolarHBondContact O-CG 3.5Å; K59-M63 PolarHBondContact O-N 2.83Å; K60-M63 PolarHBondContact O-N 3.32Å; A61-M63 PolarHBondContact O-N 3.17Å; M63-M68 PolarHBondContact O-N 3.16Å; M63-A69 PolarHBondContact O-N 3.35Å; M63-A69 VanDerWaalsContact O-N 3.13Å; M63-M72 HydrophobicContact CE-CB 3.21Å; M63-M72 HydrophobicContact CE-CE 3.68Å; M63-M72 HydrophobicContact CE-CG 3.57Å; M63-M72 HydrophobicContact CE-SD 4.48Å; M63-I100 HydrophobicContact CE-CD1 4.45Å; M63-I100 HydrophobicContact SD-CD1 4.28Å; M63-F214 HydrophobicContact CB-CE1 4.1Å; M63-F214 HydrophobicContact CE-CE1 3.78Å; M63-F214 HydrophobicContact CE-CZ 3.63Å; M63-F214 HydrophobicContact SD-CE1 4.23Å
64V88Confident88.5Confident60 Ų6047.3 Ų47.336%0.36426%0.261SS..Hα-helixtrans-75.2-49.9168174.90000108.8K60 A61 K66 N67 F214 T216K60-V64 PolarHBondContact O-N 2.8Å; A61-V64 WeakPolarHBondContact O-CA 3.42Å; A61-V64 PolarHBondContact O-N 2.86Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 3.1Å; V64-N67 PolarHBondContact O-N 2.82Å; V64-F214 HydrophobicContact CG2-CD1 4.11Å; V64-T216 HydrophobicContact CG1-CG2 3.91Å; V64-T216 HydrophobicContact CG2-CG2 4.25Å
65D86.3Confident88.2Confident124 Ų12447 Ų4766%0.66326%0.258SS*.Hα-helixtrans-58.9-36.7-175.8-52.6-27.8000112.5A61 D62A61-D65 PolarHBondContact O-N 2.95Å; A61-D65 VanDerWaalsContact O-OD2 3.09Å; D62-D65 PolarHBondContact N-OD2 2.84Å
66K84.4Confident87.9Confident107 Ų10747.1 Ų47.147%0.46526%0.258SS..THydrogen-bonded Turntrans-93.24.4177.6-60.2163.1-172.6163.80113.5D62 V64 M68D62-K66 HydrophobicContact CB-CD 4.42Å; D62-K66 WeakPolarHBondContact O-CB 3.25Å; D62-K66 VanDerWaalsContact O-CD 3.29Å; D62-K66 WeakPolarHBondContact O-CD 3.41Å; D62-K66 WeakPolarHBondContact O-CG 3.39Å; D62-K66 PolarHBondContact O-N 2.93Å; D62-K66 IonicContact OD2-NZ 2.7Å; D62-K66 PolarHBondContact OD2-NZ 3.4Å; V64-K66 VanDerWaalsContact C-N 3.27Å; V64-K66 PolarHBondContact O-N 3.1Å; K66-M68 HydrophobicContact CB-CE 4.37Å; K66-M68 HydrophobicContact CB-CG 3.87Å; K66-M68 HydrophobicContact CB-SD 3.85Å; K66-M68 HydrophobicContact CD-SD 4.12Å; K66-M68 PolarHBondContact O-N 3.33Å
67N84.7Confident87.7Confident132 Ų13246.9 Ų46.971%0.70626%0.258SS*.THydrogen-bonded Turntrans53.635.7-174.7-163.519.8000114.2V64V64-N67 PolarHBondContact O-N 2.82Å
68M83.3Confident87.4Confident39 Ų3945.7 Ų45.719%0.19225%0.251CS..  trans-97.71-177-69.7178.5164.100114F38 M63 K66 S70 Q71 M72F38-M68 HydrophobicContact CD1-CE 4.04Å; F38-M68 HydrophobicContact CD1-CG 4.44Å; F38-M68 HydrophobicContact CD1-SD 3.57Å; F38-M68 VanDerWaalsContact CD1-SD 3.57Å; F38-M68 HydrophobicContact CE1-CE 3.73Å; F38-M68 HydrophobicContact CE1-CG 4.49Å; F38-M68 HydrophobicContact CE1-SD 3.85Å; M63-M68 PolarHBondContact O-N 3.16Å; K66-M68 HydrophobicContact CB-CE 4.37Å; K66-M68 HydrophobicContact CB-CG 3.87Å; K66-M68 HydrophobicContact CB-SD 3.85Å; K66-M68 HydrophobicContact CD-SD 4.12Å; K66-M68 PolarHBondContact O-N 3.33Å; M68-S70 VanDerWaalsContact C-N 3.3Å; M68-S70 PolarHBondContact O-N 2.94Å; M68-Q71 WeakPolarHBondContact O-CB 3.44Å; M68-Q71 PolarHBondContact O-N 3.23Å; M68-M72 PolarHBondContact O-N 2.99Å
69A85.7Confident87.3Confident25 Ų2545.7 Ų45.721%0.20725%0.25CS..Hα-helixtrans-59.3-38.1-179.200000113.2M63 K73 F214M63-A69 PolarHBondContact O-N 3.35Å; M63-A69 VanDerWaalsContact O-N 3.13Å; A69-K73 PolarHBondContact O-N 2.91Å; A69-F214 HydrophobicContact CB-CD1 4.33Å; A69-F214 HydrophobicContact CB-CD2 4.41Å; A69-F214 HydrophobicContact CB-CE1 4.01Å; A69-F214 HydrophobicContact CB-CE2 4.09Å; A69-F214 HydrophobicContact CB-CZ 3.88Å
70S84Confident87.1Confident83 Ų8340 Ų4058%0.5823%0.226SC*.Hα-helixtrans-66.8-44.7174.352.30000112.3M68 K73 A74M68-S70 VanDerWaalsContact C-N 3.3Å; M68-S70 PolarHBondContact O-N 2.94Å; S70-K73 PolarHBondContact O-N 2.93Å; S70-A74 PolarHBondContact O-N 3.21Å
71Q84.1Confident86.8Confident27 Ų2739.5 Ų39.513%0.12622%0.224CC..Hα-helixtrans-59.3-46.2177.7159.514136.500112.2F38 M68 A74 E75 G170 L171F38-Q71 HydrophobicContact CD1-CG 4.27Å; F38-Q71 HydrophobicContact CE1-CG 3.81Å; F38-Q71 VanDerWaalsContact CE1-NE2 3.27Å; F38-Q71 HydrophobicContact CZ-CG 4.38Å; M68-Q71 WeakPolarHBondContact O-CB 3.44Å; M68-Q71 PolarHBondContact O-N 3.23Å; Q71-A74 PolarHBondContact O-N 3.47Å; Q71-E75 PolarHBondContact O-N 3.02Å; Q71-G170 WeakPolarHBondContact CA-O 2.87Å; Q71-G170 WeakPolarHBondContact CB-O 3.48Å; Q71-G170 WeakPolarHBondContact CG-O 3.37Å; Q71-G170 PolarHBondContact NE2-O 3.42Å; Q71-L171 VanDerWaalsContact NE2-CD2 3.34Å
72M86.8Confident86.6Confident5 Ų537 Ų373%0.02520%0.203CC..Hα-helixtrans-69.6-35.2176.2-170-77.9-6100112.5M58 M63 M68 A74 E75 R76 I100 L212 F214M58-M72 HydrophobicContact CE-CG 3.45Å; M58-M72 VanDerWaalsContact CE-CG 3.45Å; M58-M72 HydrophobicContact CE-SD 3.93Å; M58-M72 HydrophobicContact SD-CB 4.49Å; M58-M72 HydrophobicContact SD-CG 3.54Å; M58-M72 VanDerWaalsContact SD-CG 3.54Å; M63-M72 HydrophobicContact CE-CB 3.21Å; M63-M72 HydrophobicContact CE-CE 3.68Å; M63-M72 HydrophobicContact CE-CG 3.57Å; M63-M72 HydrophobicContact CE-SD 4.48Å; M68-M72 PolarHBondContact O-N 2.99Å; M72-A74 VanDerWaalsContact C-N 3.32Å; M72-A74 PolarHBondContact O-N 2.95Å; M72-E75 PolarHBondContact O-N 3.28Å; M72-R76 WeakPolarHBondContact O-CB 3.44Å; M72-R76 PolarHBondContact O-N 3.1Å; M72-R76 HydrophobicContact SD-CB 4.26Å; M72-I100 HydrophobicContact CE-CD1 3.58Å; M72-I100 HydrophobicContact CE-CG2 3.96Å; M72-I100 HydrophobicContact SD-CG2 4.18Å; M72-L212 HydrophobicContact CE-CD1 3.51Å; M72-L212 HydrophobicContact CE-CD2 3.99Å; M72-L212 HydrophobicContact CE-CG 4.25Å; M72-L212 HydrophobicContact SD-CD1 4.35Å; M72-F214 HydrophobicContact CE-CE2 4.34Å; M72-F214 HydrophobicContact CE-CZ 3.8Å
73K86.5Confident86.4Confident65 Ų6536 Ų3628%0.28320%0.196SC..Hα-helixtrans-60.4-44.3172.3-173.7175-176.4175.80110.8A69 S70 E75 R76 D77 E179 L212A69-K73 PolarHBondContact O-N 2.91Å; S70-K73 PolarHBondContact O-N 2.93Å; K73-E75 PolarHBondContact O-N 3.09Å; K73-R76 PolarHBondContact O-N 2.91Å; K73-D77 WeakPolarHBondContact CG-OD2 3.45Å; K73-D77 WeakPolarHBondContact O-CB 3.19Å; K73-D77 PolarHBondContact O-N 2.82Å; K73-E179 IonicContact NZ-OE1 3.81Å; K73-E179 PolarHBondContact NZ-OE1 3.45Å; K73-L212 HydrophobicContact CB-CD1 4.5Å
74A85.9Confident86.4Confident22 Ų2235.8 Ų35.818%0.18220%0.195CC..Hα-helixtrans-60.3-43.517400000112.5S70 Q71 M72 D77 A78S70-A74 PolarHBondContact O-N 3.21Å; Q71-A74 PolarHBondContact O-N 3.47Å; M72-A74 VanDerWaalsContact C-N 3.32Å; M72-A74 PolarHBondContact O-N 2.95Å; A74-D77 PolarHBondContact O-N 2.83Å; A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 3.32Å
75E89.3Confident86.3Confident2 Ų233.9 Ų33.91%0.00918%0.184CC..Hα-helixtrans-59.5-53.6176.3-174.8-173.7178.700111.8K56 Q71 M72 K73 D77 L79 L102 F169K56-E75 WeakPolarHBondContact CD-OE1 3.36Å; K56-E75 IonicContact NZ-OE1 2.7Å; K56-E75 PolarHBondContact NZ-OE1 3.13Å; K56-E75 IonicContact NZ-OE2 2.7Å; K56-E75 PolarHBondContact NZ-OE2 3.03Å; Q71-E75 PolarHBondContact O-N 3.02Å; M72-E75 PolarHBondContact O-N 3.28Å; K73-E75 PolarHBondContact O-N 3.09Å; E75-D77 VanDerWaalsContact C-N 3.29Å; E75-D77 PolarHBondContact O-N 3.01Å; E75-L79 HydrophobicContact CG-CD1 3.9Å; E75-L79 WeakPolarHBondContact O-CB 3.43Å; E75-L79 VanDerWaalsContact O-CG 3.28Å; E75-L79 WeakPolarHBondContact O-CG 3.4Å; E75-L79 PolarHBondContact O-N 2.93Å; E75-L79 VanDerWaalsContact O-N 3.08Å; E75-L102 HydrophobicContact CG-CD1 4.27Å; E75-F169 HydrophobicContact CB-CB 4.49Å; E75-F169 HydrophobicContact CG-CB 4.29Å
76R90.2Very high86.5Confident4 Ų428.5 Ų28.52%0.01516%0.155CC..Hα-helixtrans-56.9-45.9177.7-175.9-160.667.7160.80.6110.6M72 K73 L79 A80 L90 S93 L102 L208 S210M72-R76 WeakPolarHBondContact O-CB 3.44Å; M72-R76 PolarHBondContact O-N 3.1Å; M72-R76 HydrophobicContact SD-CB 4.26Å; K73-R76 PolarHBondContact O-N 2.91Å; R76-L79 PolarHBondContact O-N 3.33Å; R76-A80 WeakPolarHBondContact O-CB 3.41Å; R76-A80 PolarHBondContact O-N 2.86Å; R76-L90 HydrophobicContact CG-CD2 4.31Å; R76-S93 WeakPolarHBondContact CD-OG 3.35Å; R76-L102 HydrophobicContact CB-CD2 4.2Å; R76-L102 HydrophobicContact CG-CD2 4.04Å; R76-L208 PolarHBondContact NH1-O 3.01Å; R76-S210 PolarHBondContact NH1-O 3.45Å
77D88.8Confident86.9Confident11 Ų1123.5 Ų23.56%0.05913%0.133CC..Hα-helixtrans-71.3-42-171.8-66.71.1000111.1K73 A74 E75 L79 A80 L81 L180K73-D77 WeakPolarHBondContact CG-OD2 3.45Å; K73-D77 WeakPolarHBondContact O-CB 3.19Å; K73-D77 PolarHBondContact O-N 2.82Å; A74-D77 PolarHBondContact O-N 2.83Å; E75-D77 VanDerWaalsContact C-N 3.29Å; E75-D77 PolarHBondContact O-N 3.01Å; D77-L79 PolarHBondContact O-N 3.14Å; D77-A80 PolarHBondContact O-N 3.03Å; D77-L81 VanDerWaalsContact O-CD1 3.25Å; D77-L81 WeakPolarHBondContact O-CD1 3.43Å; D77-L81 WeakPolarHBondContact O-CG 3.36Å; D77-L81 PolarHBondContact O-N 3.02Å; D77-L81 VanDerWaalsContact O-N 3.13Å; D77-L180 HydrophobicContact CB-CD1 4.31Å; D77-L180 HydrophobicContact CB-CD2 4.03Å; D77-L180 HydrophobicContact CB-CG 4.09Å; D77-L180 VanDerWaalsContact OD1-CD1 3.28Å; D77-L180 WeakPolarHBondContact OD1-CD1 3.43Å; D77-L180 WeakPolarHBondContact OD1-CG 3.36Å
78A87.6Confident87.3Confident0 Ų017.4 Ų17.40%010%0.101CC..Hα-helixtrans-60.4-45.1172.600000112.7A74 S82 I146 F169 V174A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 3.32Å; A78-S82 WeakPolarHBondContact O-CB 3.31Å; A78-S82 PolarHBondContact O-N 3.03Å; A78-S82 VanDerWaalsContact O-N 3.11Å; A78-S82 PolarHBondContact O-OG 2.85Å; A78-I146 HydrophobicContact CB-CD1 4.2Å; A78-I146 HydrophobicContact CB-CG2 4.03Å; A78-F169 HydrophobicContact CB-CB 3.72Å; A78-F169 HydrophobicContact CB-CD1 3.8Å; A78-F169 HydrophobicContact CB-CG 3.84Å; A78-V174 HydrophobicContact CB-CG2 3.94Å
79L89.5Confident87.7Confident0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-70.5-35.7179.1-72.4173.3000113.2E75 R76 D77 V87 V88 L90 M104 F169 R200E75-L79 HydrophobicContact CG-CD1 3.9Å; E75-L79 WeakPolarHBondContact O-CB 3.43Å; E75-L79 VanDerWaalsContact O-CG 3.28Å; E75-L79 WeakPolarHBondContact O-CG 3.4Å; E75-L79 PolarHBondContact O-N 2.93Å; E75-L79 VanDerWaalsContact O-N 3.08Å; R76-L79 PolarHBondContact O-N 3.33Å; D77-L79 PolarHBondContact O-N 3.14Å; L79-V87 HydrophobicContact CD2-CG1 4.36Å; L79-V88 HydrophobicContact CD2-CB 4.42Å; L79-V88 WeakPolarHBondContact CD2-O 3.26Å; L79-L90 HydrophobicContact CB-CB 3.72Å; L79-L90 HydrophobicContact CB-CD2 3.76Å; L79-L90 HydrophobicContact CB-CG 4.35Å; L79-L90 HydrophobicContact CD1-CB 4.47Å; L79-L90 HydrophobicContact CD1-CD2 4.46Å; L79-M104 HydrophobicContact CD1-SD 4.44Å; L79-F169 HydrophobicContact CD2-CD2 3.48Å; L79-F169 VanDerWaalsContact CD2-CD2 3.48Å; L79-F169 HydrophobicContact CD2-CE2 3.56Å; L79-F169 HydrophobicContact CG-CD2 3.77Å; L79-F169 HydrophobicContact CG-CE2 4.33Å; L79-R200 PolarHBondContact O-NH2 3.45Å
80A88.1Confident88.1Confident0 Ų014.8 Ų14.80%08%0.084CC..Hα-helixtrans-69.8-35.117900000112.4R76 D77 L180 I185 R200 L208R76-A80 WeakPolarHBondContact O-CB 3.41Å; R76-A80 PolarHBondContact O-N 2.86Å; D77-A80 PolarHBondContact O-N 3.03Å; A80-L180 HydrophobicContact CB-CD1 3.69Å; A80-I185 HydrophobicContact CB-CD1 4.26Å; A80-R200 PolarHBondContact O-NH1 3.27Å; A80-L208 HydrophobicContact CB-CB 4.13Å; A80-L208 HydrophobicContact CB-CD1 4.18Å; A80-L208 HydrophobicContact CB-CD2 4.13Å; A80-L208 HydrophobicContact CB-CG 4.37Å
81L85.2Confident88.5Confident9 Ų911.4 Ų11.45%0.0476%0.059CC..Hα-helixtrans-71.5-47.4173.4-64.2161.3000110.5D77 V174 L176 L180 D184 T188D77-L81 VanDerWaalsContact O-CD1 3.25Å; D77-L81 WeakPolarHBondContact O-CD1 3.43Å; D77-L81 WeakPolarHBondContact O-CG 3.36Å; D77-L81 PolarHBondContact O-N 3.02Å; D77-L81 VanDerWaalsContact O-N 3.13Å; L81-V174 HydrophobicContact CD1-CG1 3.84Å; L81-L176 HydrophobicContact CD1-CD1 3.47Å; L81-L176 VanDerWaalsContact CD1-CD1 3.47Å; L81-L176 HydrophobicContact CD2-CD1 4.11Å; L81-L176 HydrophobicContact CG-CD1 4.39Å; L81-L180 HydrophobicContact CD1-CD2 4.15Å; L81-L180 HydrophobicContact CD2-CD2 3.92Å; L81-L180 HydrophobicContact CG-CD2 3.9Å; L81-D184 HydrophobicContact CD2-CB 3.79Å; L81-T188 VanDerWaalsContact O-CG2 3.22Å; L81-T188 WeakPolarHBondContact O-CG2 3.42Å
82S85.9Confident88.9Confident6 Ų611 Ų114%0.0426%0.056CC..  trans-55.9134.1-171.6-67.10000114.7A78 R200A78-S82 WeakPolarHBondContact O-CB 3.31Å; A78-S82 PolarHBondContact O-N 3.03Å; A78-S82 VanDerWaalsContact O-N 3.11Å; A78-S82 PolarHBondContact O-OG 2.85Å; S82-R200 PolarHBondContact O-NH2 3.41Å
83K83.5Confident89.2Confident29 Ų2910.8 Ų10.813%0.1266%0.056CC..  trans-141.856.4176.4-61.2176.2-165166.10110.4Y140 I185 T188K83-Y140 PolarHBondContact N-OH 2.83Å; K83-I185 VanDerWaalsContact CE-O 3.23Å; K83-I185 WeakPolarHBondContact CE-O 3.47Å; K83-I185 PolarHBondContact NZ-O 2.83Å; K83-T188 HydrophobicContact CD-CG2 4.48Å; K83-T188 PolarHBondContact NZ-O 2.84Å
84S85.9Confident89.6Confident2 Ų28.3 Ų8.31%0.0145%0.045CC..  trans-117147.1-179.4176.10000110.9F86 F198S84-F86 PolarHBondContact O-N 2.8Å; S84-F86 PolarHBondContact OG-N 2.97Å; S84-F198 WeakPolarHBondContact O-CE1 3.46Å
85P86.7Confident89.9Confident20 Ų2010.5 Ų10.513%0.135%0.052CC..THydrogen-bonded Turntrans-60.7-28.116926.2-34.4000113K165 L191P85-K165 WeakPolarHBondContact O-CD 3.49Å; P85-K165 WeakPolarHBondContact O-CE 3.48Å; P85-K165 WeakPolarHBondContact O-CG 3.47Å; P85-L191 HydrophobicContact CG-CD2 4.15Å
86F90.6Very high90Very high10 Ų1013.1 Ų13.14%0.0447%0.068CC..THydrogen-bonded Turntrans-97.617.6-175.4-47-67.1000114S84 E133 L136 A137 K165 L166 Q766S84-F86 PolarHBondContact O-N 2.8Å; S84-F86 PolarHBondContact OG-N 2.97Å; F86-E133 HydrophobicContact CD1-CB 3.96Å; F86-E133 HydrophobicContact CD1-CG 4.19Å; F86-E133 HydrophobicContact CE1-CB 4.04Å; F86-E133 HydrophobicContact CE1-CG 3.8Å; F86-L136 HydrophobicContact CD2-CB 3.85Å; F86-L136 HydrophobicContact CE2-CB 3.7Å; F86-L136 HydrophobicContact CE2-CD1 3.73Å; F86-L136 HydrophobicContact CE2-CG 4.39Å; F86-L136 HydrophobicContact CZ-CD1 3.97Å; F86-A137 HydrophobicContact CB-CB 3.63Å; F86-K165 WeakPolarHBondContact O-CA 3.39Å; F86-L166 PolarHBondContact O-N 3.38Å; F86-Q766 HydrophobicContact CE1-CB 4.25Å; F86-Q766 HydrophobicContact CZ-CB 3.99Å
87V92.6Very high90Very high2 Ų217.8 Ų17.81%0.01211%0.107CC..BIsolated β-bridgetrans-132.7137.3176.3176.70000108.9L79 H89 Y140 L141 F169L79-V87 HydrophobicContact CD2-CG1 4.36Å; V87-H89 PolarHBondContact O-N 2.96Å; V87-Y140 HydrophobicContact CG2-CD1 4.46Å; V87-L141 HydrophobicContact CG2-CD2 4.22Å; V87-L141 HydrophobicContact CG2-CG 4.37Å; V87-F169 HydrophobicContact CG1-CE2 3.76Å; V87-F169 HydrophobicContact CG1-CZ 3.62Å; V87-F169 HydrophobicContact CG2-CZ 4.38Å
88V93.7Very high90.1Very high4 Ų420.2 Ų20.22%0.02413%0.129CC..  trans-57.4124.8179.2169.80000111L79 L90 M104 E105 L107 L157 K165 L166L79-V88 HydrophobicContact CD2-CB 4.42Å; L79-V88 WeakPolarHBondContact CD2-O 3.26Å; V88-L90 PolarHBondContact O-N 2.75Å; V88-M104 HydrophobicContact CG1-CB 3.81Å; V88-M104 HydrophobicContact CG1-CG 4.11Å; V88-M104 HydrophobicContact CG1-SD 4.06Å; V88-E105 HydrophobicContact CG1-CG 4.2Å; V88-L107 HydrophobicContact CG2-CD1 3.81Å; V88-L157 HydrophobicContact CG2-CD1 4.15Å; V88-K165 HydrophobicContact CG2-CB 4.03Å; V88-L166 WeakPolarHBondContact CG2-O 3.47Å; V88-L166 PolarHBondContact N-O 3.06Å
89H92.1Very high90.4Very high10 Ų1022.8 Ų22.85%0.04614%0.14CC..  trans-78.2112.4179-167.290.6000112V87 F91 M104 E105 F198 R200V87-H89 PolarHBondContact O-N 2.96Å; H89-F91 AromaticContact CD2-CD1 3.35Å; H89-F91 WeakPolarHBondContact CD2-CD1 3.41Å; H89-F91 AromaticContact CD2-CE1 3.39Å; H89-F91 WeakPolarHBondContact CD2-CE1 3.39Å; H89-F91 AromaticContact CD2-CG 3.73Å; H89-F91 AromaticContact CD2-CZ 3.8Å; H89-F91 AromaticContact NE2-CD1 3.63Å; H89-F91 AromaticContact NE2-CE1 3.83Å; H89-M104 WeakPolarHBondContact O-CA 3.3Å; H89-E105 HydrophobicContact CB-CG 4.33Å; H89-E105 WeakPolarHBondContact CB-OE1 3.34Å; H89-E105 PolarHBondContact N-OE1 2.82Å; H89-E105 PolarHBondContact O-N 2.81Å; H89-F198 AromaticContact ND1-CD1 3.68Å; H89-R200 PolarHBondContact CE1-NE 3.22Å; H89-R200 PolarHBondContact CE1-NH2 3.3Å; H89-R200 PolarHBondContact NE2-NE 3.13Å
90L93.3Very high90.6Very high0 Ų022.8 Ų22.80%014%0.14CC..EExtended strand (participates in β ladder)trans-81.2119.7166.8-177.170.4000110.5R76 L79 V88 Y92 L102 M104 R200 L208R76-L90 HydrophobicContact CG-CD2 4.31Å; L79-L90 HydrophobicContact CB-CB 3.72Å; L79-L90 HydrophobicContact CB-CD2 3.76Å; L79-L90 HydrophobicContact CB-CG 4.35Å; L79-L90 HydrophobicContact CD1-CB 4.47Å; L79-L90 HydrophobicContact CD1-CD2 4.46Å; V88-L90 PolarHBondContact O-N 2.75Å; L90-Y92 WeakPolarHBondContact CD1-O 3.38Å; L90-L102 HydrophobicContact CD1-CB 3.75Å; L90-L102 HydrophobicContact CD1-CD2 4.07Å; L90-L102 HydrophobicContact CD1-CG 4.44Å; L90-L102 HydrophobicContact CD2-CD2 4.14Å; L90-M104 HydrophobicContact CD1-CG 3.79Å; L90-R200 PolarHBondContact O-NE 3.4Å; L90-R200 PolarHBondContact O-NH2 3.33Å; L90-L208 HydrophobicContact CD2-CD2 3.54Å; L90-L208 HydrophobicContact CG-CD2 3.73Å
91F91.6Very high90.9Very high12 Ų1224 Ų245%0.05315%0.145CC..EExtended strand (participates in β ladder)trans-92.1-40.5179.3-68.1-73.7000112.8Y53 H89 V103 E105 Q204Y53-F91 AromaticContact CD1-CD2 3.66Å; Y53-F91 HydrophobicContact CD1-CD2 3.66Å; Y53-F91 AromaticContact CD1-CE2 3.94Å; Y53-F91 HydrophobicContact CD1-CE2 3.94Å; Y53-F91 HydrophobicContact CD1-CG 4.49Å; Y53-F91 AromaticContact CE1-CD2 3.46Å; Y53-F91 HydrophobicContact CE1-CD2 3.46Å; Y53-F91 VanDerWaalsContact CE1-CD2 3.46Å; Y53-F91 AromaticContact CE1-CE2 3.65Å; Y53-F91 HydrophobicContact CE1-CE2 3.65Å; Y53-F91 AromaticContact CE1-CG 4Å; Y53-F91 HydrophobicContact CE1-CG 4Å; Y53-F91 HydrophobicContact CE1-CZ 4.35Å; H89-F91 AromaticContact CD2-CD1 3.35Å; H89-F91 WeakPolarHBondContact CD2-CD1 3.41Å; H89-F91 AromaticContact CD2-CE1 3.39Å; H89-F91 WeakPolarHBondContact CD2-CE1 3.39Å; H89-F91 AromaticContact CD2-CG 3.73Å; H89-F91 AromaticContact CD2-CZ 3.8Å; H89-F91 AromaticContact NE2-CD1 3.63Å; H89-F91 AromaticContact NE2-CE1 3.83Å; F91-V103 PolarHBondContact N-O 3.17Å; F91-E105 HydrophobicContact CE2-CB 3.85Å; F91-Q204 WeakPolarHBondContact O-CB 3.46Å; F91-Q204 VanDerWaalsContact O-CG 3.29Å; F91-Q204 WeakPolarHBondContact O-CG 3.44Å
92Y92.9Very high91.3Very high17 Ų1723.6 Ų23.67%0.06714%0.143CC..EExtended strand (participates in β ladder)trans-143.7143.7-177.8-52-92.3000111.4P22 F27 K46 L90 L94 V103 Q204P22-Y92 HydrophobicContact CB-CD1 3.89Å; P22-Y92 HydrophobicContact CB-CE1 3.79Å; P22-Y92 HydrophobicContact CG-CD1 4.01Å; P22-Y92 HydrophobicContact CG-CE1 3.72Å; F27-Y92 HydrophobicContact CZ-CD2 4.01Å; F27-Y92 AromaticContact CZ-CE2 3.99Å; F27-Y92 HydrophobicContact CZ-CE2 3.99Å; K46-Y92 PolarHBondContact NZ-OH 2.93Å; L90-Y92 WeakPolarHBondContact CD1-O 3.38Å; Y92-L94 HydrophobicContact CD1-CD2 4.5Å; Y92-V103 HydrophobicContact CD2-CB 4.05Å; Y92-V103 HydrophobicContact CD2-CG1 3.98Å; Y92-V103 PolarHBondContact N-O 3.41Å; Y92-V103 PolarHBondContact O-N 3.47Å; Y92-Q204 HydrophobicContact CD1-CG 3.76Å; Y92-Q204 HydrophobicContact CE1-CB 4.35Å; Y92-Q204 HydrophobicContact CE1-CG 3.27Å; Y92-Q204 HydrophobicContact CE2-CG 4.25Å; Y92-Q204 HydrophobicContact CG-CG 4.42Å
93S93.8Very high91.7Very high2 Ų223.3 Ų23.31%0.01414%0.141CC..EExtended strand (participates in β ladder)trans-111.9108.5162.6170.90000107.4R76 S207R76-S93 WeakPolarHBondContact CD-OG 3.35Å; S93-S207 VanDerWaalsContact C-OG 3.31Å; S93-S207 PolarHBondContact N-OG 2.65Å; S93-S207 PolarHBondContact O-OG 3Å
94L93.7Very high92.2Very high13 Ų1322.5 Ų22.57%0.06814%0.138CC..EExtended strand (participates in β ladder)trans-114.5155.4-177.1-47.9173.7000109.8P22 F27 Y92 Y101 V103P22-L94 HydrophobicContact CB-CD2 4.15Å; F27-L94 HydrophobicContact CE2-CD1 4.02Å; Y92-L94 HydrophobicContact CD1-CD2 4.5Å; L94-Y101 PolarHBondContact N-O 3.02Å; L94-Y101 PolarHBondContact O-N 3.18Å; L94-V103 HydrophobicContact CD1-CG2 3.93Å; L94-V103 HydrophobicContact CG-CG2 4.39Å
95Q92.5Very high92.6Very high67 Ų6723.7 Ų23.731%0.31314%0.143SC..EExtended strand (participates in β ladder)trans-148.8151.8178.360.8178.7-37.100111.8K99 I100 S211 G213Q95-K99 WeakPolarHBondContact CA-O 3.47Å; Q95-I100 HydrophobicContact CB-CG1 4.24Å; Q95-S211 PolarHBondContact NE2-O 3.48Å; Q95-G213 VanDerWaalsContact OE1-N 3.08Å
96T92Very high92.9Very high58 Ų5824.2 Ų24.236%0.35614%0.142SC..  trans-114.6-171165.161.40000109.3I24 K60 A98 K99 Y101I24-T96 HydrophobicContact CG2-CG2 4.42Å; K60-T96 WeakPolarHBondContact CE-O 3.31Å; K60-T96 PolarHBondContact NZ-O 3.38Å; T96-A98 VanDerWaalsContact C-N 3.26Å; T96-A98 PolarHBondContact O-N 2.9Å; T96-K99 PolarHBondContact N-O 3.25Å; T96-K99 PolarHBondContact OG1-N 3.47Å; T96-K99 VanDerWaalsContact OG1-N 3.09Å; T96-K99 PolarHBondContact OG1-O 3.21Å; T96-Y101 HydrophobicContact CG2-CE2 3.92Å
97A90.1Very high93.1Very high101 Ų10124 Ų2484%0.83514%0.142SC*.SBendtrans-58.8-36.9172.200000112.5K60K60-A97 WeakPolarHBondContact CD-O 3.44Å
98A92.1Very high93.1Very high62 Ų6224.7 Ų24.751%0.51215%0.145SC..SBendtrans-116-20.4-170.500000115.7K60 T96K60-A98 PolarHBondContact N-O 3.33Å; T96-A98 VanDerWaalsContact C-N 3.26Å; T96-A98 PolarHBondContact O-N 2.9Å
99K92.9Very high93Very high55 Ų5524.6 Ų24.624%0.23915%0.145CC..EExtended strand (participates in β ladder)trans-128.5150.5-173.4-67.8170.7176.7173.30111.1V57 M58 Q95 T96 Y101 L801V57-K99 HydrophobicContact CG1-CD 4.4Å; M58-K99 CarbonylContact O-C 3.57Å; M58-K99 VanDerWaalsContact O-CA 3.31Å; M58-K99 WeakPolarHBondContact O-CA 3.26Å; Q95-K99 WeakPolarHBondContact CA-O 3.47Å; T96-K99 PolarHBondContact N-O 3.25Å; T96-K99 PolarHBondContact OG1-N 3.47Å; T96-K99 VanDerWaalsContact OG1-N 3.09Å; T96-K99 PolarHBondContact OG1-O 3.21Å; K99-Y101 HydrophobicContact CB-CD2 4.48Å; K99-Y101 HydrophobicContact CB-CE2 3.55Å; K99-Y101 WeakPolarHBondContact CB-OH 3.46Å; K99-L801 PolarHBondContact NZ-OXT 3.13Å
100I92.8Very high93.1Very high0 Ų024.1 Ų24.10%014%0.143CC..EExtended strand (participates in β ladder)trans-121.2142.7173.8-61.4173.4000108.2M58 K60 M63 M72 Q95 L212 F214M58-I100 HydrophobicContact CE-CB 4.39Å; M58-I100 HydrophobicContact CE-CG2 3.97Å; M58-I100 PolarHBondContact N-O 3.42Å; M58-I100 PolarHBondContact O-N 3.34Å; K60-I100 HydrophobicContact CD-CD1 4.35Å; K60-I100 HydrophobicContact CD-CG1 4.19Å; K60-I100 HydrophobicContact CG-CD1 3.78Å; K60-I100 HydrophobicContact CG-CG1 3.74Å; M63-I100 HydrophobicContact CE-CD1 4.45Å; M63-I100 HydrophobicContact SD-CD1 4.28Å; M72-I100 HydrophobicContact CE-CD1 3.58Å; M72-I100 HydrophobicContact CE-CG2 3.96Å; M72-I100 HydrophobicContact SD-CG2 4.18Å; Q95-I100 HydrophobicContact CB-CG1 4.24Å; I100-L212 HydrophobicContact CD1-CD2 4.36Å; I100-L212 HydrophobicContact CG2-CD2 4.35Å; I100-F214 HydrophobicContact CD1-CE1 3.83Å; I100-F214 HydrophobicContact CD1-CE2 4.44Å; I100-F214 HydrophobicContact CD1-CZ 3.67Å
101Y94.3Very high93.1Very high25 Ų2524.3 Ų24.310%0.09814%0.144CC..EExtended strand (participates in β ladder)trans-134.8114.7-169.4-52.6-105.9000110I24 I55 K56 V57 L94 T96 K99I24-Y101 HydrophobicContact CB-CE1 4.49Å; I24-Y101 HydrophobicContact CD1-CD1 3.45Å; I24-Y101 VanDerWaalsContact CD1-CD1 3.45Å; I24-Y101 HydrophobicContact CD1-CE1 3.84Å; I24-Y101 HydrophobicContact CD1-CG 4.03Å; I24-Y101 HydrophobicContact CG1-CD1 3.77Å; I24-Y101 HydrophobicContact CG1-CE1 3.63Å; I24-Y101 HydrophobicContact CG1-CG 4.35Å; I55-Y101 HydrophobicContact CG2-CD1 4.09Å; K56-Y101 WeakPolarHBondContact O-CA 3.39Å; V57-Y101 HydrophobicContact CB-CD1 4.42Å; V57-Y101 HydrophobicContact CG1-CD1 4.07Å; V57-Y101 HydrophobicContact CG1-CE1 3.8Å; V57-Y101 HydrophobicContact CG2-CD1 3.78Å; V57-Y101 HydrophobicContact CG2-CE1 4.08Å; L94-Y101 PolarHBondContact N-O 3.02Å; L94-Y101 PolarHBondContact O-N 3.18Å; T96-Y101 HydrophobicContact CG2-CE2 3.92Å; K99-Y101 HydrophobicContact CB-CD2 4.48Å; K99-Y101 HydrophobicContact CB-CE2 3.55Å; K99-Y101 WeakPolarHBondContact CB-OH 3.46Å
102L94.2Very high93.3Very high0 Ų023.8 Ų23.80%014%0.142CC..EExtended strand (participates in β ladder)trans-97115.1170.3-62.9178000108.7I55 K56 M58 E75 R76 L90I55-L102 WeakPolarHBondContact CA-O 3.29Å; K56-L102 HydrophobicContact CB-CB 4.31Å; K56-L102 PolarHBondContact N-O 2.79Å; K56-L102 PolarHBondContact O-N 2.78Å; M58-L102 HydrophobicContact CE-CD1 3.8Å; M58-L102 HydrophobicContact CE-CG 3.73Å; E75-L102 HydrophobicContact CG-CD1 4.27Å; R76-L102 HydrophobicContact CB-CD2 4.2Å; R76-L102 HydrophobicContact CG-CD2 4.04Å; L90-L102 HydrophobicContact CD1-CB 3.75Å; L90-L102 HydrophobicContact CD1-CD2 4.07Å; L90-L102 HydrophobicContact CD1-CG 4.44Å; L90-L102 HydrophobicContact CD2-CD2 4.14Å
103V94.9Very high93.3Very high0 Ų026.1 Ų26.10%015%0.152CC..EExtended strand (participates in β ladder)trans-99.9105.9-177.4-175.50000109.4F27 Y53 I55 F91 Y92 L94F27-V103 HydrophobicContact CD1-CG1 4.5Å; F27-V103 HydrophobicContact CE1-CG1 3.67Å; F27-V103 HydrophobicContact CE2-CG2 4.47Å; F27-V103 HydrophobicContact CZ-CG1 3.79Å; F27-V103 HydrophobicContact CZ-CG2 4.32Å; Y53-V103 HydrophobicContact CD1-CG1 3.8Å; Y53-V103 HydrophobicContact CG-CG1 3.98Å; I55-V103 HydrophobicContact CD1-CG2 4.21Å; I55-V103 HydrophobicContact CG1-CG1 4.26Å; I55-V103 HydrophobicContact CG1-CG2 4.19Å; I55-V103 HydrophobicContact CG2-CG2 4.38Å; F91-V103 PolarHBondContact N-O 3.17Å; Y92-V103 HydrophobicContact CD2-CB 4.05Å; Y92-V103 HydrophobicContact CD2-CG1 3.98Å; Y92-V103 PolarHBondContact N-O 3.41Å; Y92-V103 PolarHBondContact O-N 3.47Å; L94-V103 HydrophobicContact CD1-CG2 3.93Å; L94-V103 HydrophobicContact CG-CG2 4.39Å
104M94.3Very high93.2Very high13 Ų1326.3 Ų26.36%0.06415%0.154CC..EExtended strand (participates in β ladder)trans-111.5166-172.2-58.9172.4-66.100111Y53 A54 K56 L79 V88 H89 L90Y53-M104 WeakPolarHBondContact CA-O 3.31Å; Y53-M104 WeakPolarHBondContact CB-O 3.4Å; A54-M104 HydrophobicContact CB-CE 4.39Å; A54-M104 PolarHBondContact N-O 3.31Å; A54-M104 PolarHBondContact O-N 2.72Å; K56-M104 HydrophobicContact CB-CE 3.86Å; L79-M104 HydrophobicContact CD1-SD 4.44Å; V88-M104 HydrophobicContact CG1-CB 3.81Å; V88-M104 HydrophobicContact CG1-CG 4.11Å; V88-M104 HydrophobicContact CG1-SD 4.06Å; H89-M104 WeakPolarHBondContact O-CA 3.3Å; L90-M104 HydrophobicContact CD1-CG 3.79Å
105E93.1Very high93.2Very high27 Ų2726 Ų2613%0.12615%0.152CC..EExtended strand (participates in β ladder)trans-59.2147.1164.763.2-178.6133.400112V88 H89 F91 L107 K165V88-E105 HydrophobicContact CG1-CG 4.2Å; H89-E105 HydrophobicContact CB-CG 4.33Å; H89-E105 WeakPolarHBondContact CB-OE1 3.34Å; H89-E105 PolarHBondContact N-OE1 2.82Å; H89-E105 PolarHBondContact O-N 2.81Å; F91-E105 HydrophobicContact CE2-CB 3.85Å; E105-L107 HydrophobicContact CG-CD2 4.31Å; E105-L107 HydrophobicContact CG-CG 4.29Å; E105-K165 WeakPolarHBondContact OE1-CD 3.37Å; E105-K165 IonicContact OE1-NZ 3.77Å; E105-K165 PolarHBondContact OE1-NZ 2.72Å; E105-K165 IonicContact OE2-NZ 2.68Å; E105-K165 PolarHBondContact OE2-NZ 2.7Å
106Y94.4Very high93.3Very high30 Ų3023 Ų2312%0.11814%0.138CC..  trans-89.2128.3171.5-178.5-127.6000109.7I33 L43 L52 A54 I108 D781 T782 F785I33-Y106 HydrophobicContact CD1-CD2 4.29Å; I33-Y106 HydrophobicContact CD1-CE2 3.98Å; L43-Y106 HydrophobicContact CD1-CD1 3.66Å; L43-Y106 HydrophobicContact CD1-CD2 3.81Å; L43-Y106 HydrophobicContact CD1-CE1 3.82Å; L43-Y106 HydrophobicContact CD1-CE2 3.98Å; L43-Y106 HydrophobicContact CD1-CG 3.66Å; L43-Y106 HydrophobicContact CD2-CE1 4.49Å; L52-Y106 HydrophobicContact CB-CD1 4.35Å; L52-Y106 HydrophobicContact CD1-CD1 4.46Å; A54-Y106 HydrophobicContact CB-CD2 4.49Å; Y106-I108 HydrophobicContact CE1-CB 3.95Å; Y106-I108 HydrophobicContact CE1-CD1 4Å; Y106-I108 HydrophobicContact CE1-CG1 3.95Å; Y106-D781 PolarHBondContact OH-O 2.65Å; Y106-T782 WeakPolarHBondContact OH-CG2 3.29Å; Y106-F785 AromaticContact CE2-CE2 3.72Å; Y106-F785 HydrophobicContact CE2-CE2 3.72Å; Y106-F785 HydrophobicContact CE2-CZ 4.02Å
107L94.1Very high93.3Very high7 Ų727.1 Ų27.14%0.03715%0.153CC..  trans-116.7106.5178.2-63.8175000107.8V88 E105 G109 L157 K165 F785V88-L107 HydrophobicContact CG2-CD1 3.81Å; E105-L107 HydrophobicContact CG-CD2 4.31Å; E105-L107 HydrophobicContact CG-CG 4.29Å; L107-G109 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 2.69Å; L107-L157 HydrophobicContact CB-CB 4.25Å; L107-L157 HydrophobicContact CD1-CB 3.52Å; L107-L157 HydrophobicContact CD1-CD1 4.1Å; L107-L157 HydrophobicContact CD1-CG 4.47Å; L107-K165 HydrophobicContact CD1-CB 3.91Å; L107-K165 HydrophobicContact CD1-CD 4.06Å; L107-K165 HydrophobicContact CD1-CG 4.14Å; L107-K165 HydrophobicContact CD2-CD 4.15Å; L107-F785 VanDerWaalsContact O-CZ 3.29Å; L107-F785 WeakPolarHBondContact O-CZ 3.41Å
108I92.6Very high93.3Very high15 Ų1527.1 Ų27.18%0.07714%0.138CC..THydrogen-bonded Turntrans-75.2-16.8-165.6-165.2154.2000114Y106 G110 N160 P774 P776 Y784Y106-I108 HydrophobicContact CE1-CB 3.95Å; Y106-I108 HydrophobicContact CE1-CD1 4Å; Y106-I108 HydrophobicContact CE1-CG1 3.95Å; I108-G110 PolarHBondContact O-N 2.89Å; I108-N160 HydrophobicContact CG2-CB 3.98Å; I108-P774 HydrophobicContact CG2-CB 4.28Å; I108-P776 HydrophobicContact CD1-CB 3.65Å; I108-P776 HydrophobicContact CD1-CG 3.68Å; I108-P776 HydrophobicContact CG1-CB 4.04Å; I108-P776 HydrophobicContact CG1-CG 4.17Å; I108-Y784 WeakPolarHBondContact O-CD2 3.07Å
109G92.2Very high93.3Very high3 Ų329.6 Ų29.63%0.03114%0.135CC..THydrogen-bonded Turntrans-78.84.7-177.100000115.8L107 I158L107-G109 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 2.69Å; G109-I158 WeakPolarHBondContact CA-O 3.21Å; G109-I158 PolarHBondContact N-O 3.01Å
110G93Very high93.4Very high0 Ų028.9 Ų28.90%014%0.143CC..  trans69.3-149.7-177.100000112.9I108 L157 I158I108-G110 PolarHBondContact O-N 2.89Å; G110-L157 WeakPolarHBondContact O-CA 3.34Å; G110-L157 WeakPolarHBondContact O-CD2 2.99Å; G110-I158 PolarHBondContact O-N 2.71Å
111D93.4Very high93.5Very high4 Ų435.6 Ų35.62%0.02117%0.169CC..BIsolated β-bridgetrans-108.6154.5177.461.559000113.1K113 S114 L115 M156 L157 R788D111-K113 VanDerWaalsContact C-N 3.26Å; D111-K113 PolarHBondContact O-N 2.9Å; D111-K113 WeakPolarHBondContact OD1-CB 3.46Å; D111-K113 PolarHBondContact OD1-N 2.98Å; D111-S114 WeakPolarHBondContact O-CB 3.48Å; D111-S114 PolarHBondContact O-N 2.97Å; D111-S114 VanDerWaalsContact OD1-CB 3.24Å; D111-S114 WeakPolarHBondContact OD1-CB 3.32Å; D111-S114 PolarHBondContact OD1-N 3.35Å; D111-S114 PolarHBondContact OD1-OG 2.96Å; D111-L115 PolarHBondContact O-N 2.73Å; D111-L115 VanDerWaalsContact O-N 3.16Å; D111-M156 CarbonylContact C-O 3.52Å; D111-M156 VanDerWaalsContact CA-O 3.3Å; D111-M156 WeakPolarHBondContact CA-O 3.12Å; D111-L157 HydrophobicContact CB-CD2 3.87Å; D111-R788 IonicContact OD1-NH1 2.71Å; D111-R788 VanDerWaalsContact OD2-CD 3.26Å; D111-R788 WeakPolarHBondContact OD2-CD 3.37Å; D111-R788 IonicContact OD2-CZ 2.65Å; D111-R788 IonicContact OD2-NE 3.2Å; D111-R788 IonicContact OD2-NH1 2.68Å; D111-R788 PolarHBondContact OD2-NH1 3.12Å
112V95.9Very high93.6Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-67.4-27.1-178-179.70000111.6S114 L115 L116 F122 P153 M156 I158 I164 F693V112-S114 VanDerWaalsContact C-N 3.31Å; V112-S114 PolarHBondContact O-N 3.35Å; V112-L115 PolarHBondContact O-N 2.9Å; V112-L116 VanDerWaalsContact O-CB 3.32Å; V112-L116 WeakPolarHBondContact O-CB 3.19Å; V112-L116 PolarHBondContact O-N 3.42Å; V112-F122 HydrophobicContact CG1-CE2 3.77Å; V112-F122 HydrophobicContact CG1-CZ 4Å; V112-P153 HydrophobicContact CB-CB 4.25Å; V112-P153 HydrophobicContact CG1-CB 4.34Å; V112-P153 PolarHBondContact N-O 2.86Å; V112-M156 HydrophobicContact CB-CB 4Å; V112-M156 HydrophobicContact CG2-CB 3.61Å; V112-M156 PolarHBondContact N-O 3Å; V112-I158 HydrophobicContact CG2-CD1 3.96Å; V112-I158 HydrophobicContact CG2-CG1 3.76Å; V112-I164 HydrophobicContact CG2-CD1 3.78Å; V112-I164 HydrophobicContact CG2-CG1 4.03Å; V112-F693 HydrophobicContact CG1-CE1 3.63Å; V112-F693 HydrophobicContact CG1-CZ 3.68Å
113K93.5Very high93.7Very high66 Ų6641.8 Ų41.829%0.28720%0.199SC..Hα-helixtrans-60.8-41.4173.4-169.269.5-179.4-174.70111.6D111 H117 P153 E692D111-K113 VanDerWaalsContact C-N 3.26Å; D111-K113 PolarHBondContact O-N 2.9Å; D111-K113 WeakPolarHBondContact OD1-CB 3.46Å; D111-K113 PolarHBondContact OD1-N 2.98Å; K113-H117 PolarHBondContact O-N 3.01Å; K113-P153 HydrophobicContact CB-CB 3.94Å; K113-P153 HydrophobicContact CD-CB 4.16Å; K113-P153 PolarHBondContact N-O 3.48Å; K113-E692 IonicContact NZ-OE1 2.63Å; K113-E692 PolarHBondContact NZ-OE1 2.91Å
114S92.1Very high93.8Very high7 Ų744.5 Ų44.55%0.04921%0.212CC..Hα-helixtrans-70-40.6177.1-59.10000111.7D111 V112 H117 I118 R788D111-S114 WeakPolarHBondContact O-CB 3.48Å; D111-S114 PolarHBondContact O-N 2.97Å; D111-S114 VanDerWaalsContact OD1-CB 3.24Å; D111-S114 WeakPolarHBondContact OD1-CB 3.32Å; D111-S114 PolarHBondContact OD1-N 3.35Å; D111-S114 PolarHBondContact OD1-OG 2.96Å; V112-S114 VanDerWaalsContact C-N 3.31Å; V112-S114 PolarHBondContact O-N 3.35Å; S114-H117 PolarHBondContact O-N 2.82Å; S114-I118 WeakPolarHBondContact O-CD1 3.45Å; S114-I118 WeakPolarHBondContact O-CG1 3.38Å; S114-I118 PolarHBondContact O-N 3.16Å; S114-I118 VanDerWaalsContact O-N 3.13Å; S114-R788 WeakPolarHBondContact OG-CB 3.29Å
115L94Very high93.8Very high6 Ų650 Ų503%0.03124%0.241CC..Hα-helixtrans-61.8-45.5173.2-176.566.9000111.7D111 V112 H117 I118 Y119 F122 M126 Y130 I158 F772D111-L115 PolarHBondContact O-N 2.73Å; D111-L115 VanDerWaalsContact O-N 3.16Å; V112-L115 PolarHBondContact O-N 2.9Å; L115-H117 VanDerWaalsContact C-N 3.32Å; L115-H117 PolarHBondContact O-N 3.19Å; L115-I118 WeakPolarHBondContact O-CB 3.3Å; L115-I118 PolarHBondContact O-N 2.68Å; L115-I118 VanDerWaalsContact O-N 3.12Å; L115-Y119 HydrophobicContact CD1-CD2 3.82Å; L115-Y119 HydrophobicContact CD1-CE2 3.56Å; L115-Y119 HydrophobicContact CG-CD2 4.24Å; L115-Y119 HydrophobicContact CG-CE2 4.33Å; L115-Y119 WeakPolarHBondContact O-CD2 3.47Å; L115-Y119 PolarHBondContact O-N 2.95Å; L115-F122 HydrophobicContact CB-CZ 4.31Å; L115-F122 HydrophobicContact CD2-CE1 4.23Å; L115-F122 HydrophobicContact CD2-CZ 3.98Å; L115-F122 HydrophobicContact CG-CE1 3.99Å; L115-F122 HydrophobicContact CG-CZ 3.98Å; L115-M126 HydrophobicContact CD2-CE 3.79Å; L115-M126 HydrophobicContact CG-CE 4.46Å; L115-Y130 HydrophobicContact CD2-CE2 3.97Å; L115-I158 HydrophobicContact CB-CD1 3.96Å; L115-I158 HydrophobicContact CD2-CD1 3.74Å; L115-I158 HydrophobicContact CG-CD1 4.42Å; L115-F772 HydrophobicContact CD1-CB 4.49Å; L115-F772 HydrophobicContact CD1-CD1 3.76Å; L115-F772 HydrophobicContact CD1-CD2 3.78Å; L115-F772 HydrophobicContact CD1-CE1 3.82Å; L115-F772 HydrophobicContact CD1-CE2 3.86Å; L115-F772 HydrophobicContact CD1-CG 3.73Å; L115-F772 HydrophobicContact CD1-CZ 3.88Å; L115-F772 HydrophobicContact CD2-CB 4.17Å; L115-F772 HydrophobicContact CD2-CD1 3.62Å; L115-F772 HydrophobicContact CD2-CE1 4.21Å; L115-F772 HydrophobicContact CD2-CG 3.96Å; L115-F772 HydrophobicContact CG-CD1 4.35Å
116L94.5Very high94Very high4 Ų449.2 Ų49.22%0.02124%0.238CC..Hα-helixtrans-60.6-42.3176.8-17371.2000111V112 I118 Y119 G120 F122 E692 F693V112-L116 VanDerWaalsContact O-CB 3.32Å; V112-L116 WeakPolarHBondContact O-CB 3.19Å; V112-L116 PolarHBondContact O-N 3.42Å; L116-I118 VanDerWaalsContact C-N 3.26Å; L116-I118 PolarHBondContact O-N 2.85Å; L116-Y119 PolarHBondContact O-N 3.1Å; L116-G120 CarbonylContact O-C 3.53Å; L116-G120 WeakPolarHBondContact O-CA 3.28Å; L116-G120 PolarHBondContact O-N 3.38Å; L116-F122 HydrophobicContact CB-CE1 4.18Å; L116-F122 HydrophobicContact CB-CE2 4.39Å; L116-F122 HydrophobicContact CB-CZ 3.79Å; L116-F122 HydrophobicContact CD1-CD1 3.93Å; L116-F122 HydrophobicContact CD1-CD2 4.01Å; L116-F122 HydrophobicContact CD1-CE1 3.83Å; L116-F122 HydrophobicContact CD1-CE2 3.9Å; L116-F122 HydrophobicContact CD1-CG 4.02Å; L116-F122 HydrophobicContact CD1-CZ 3.81Å; L116-F122 HydrophobicContact CG-CZ 4.43Å; L116-E692 HydrophobicContact CD2-CG 3.67Å; L116-F693 HydrophobicContact CD1-CD1 4.45Å; L116-F693 HydrophobicContact CD2-CD1 4.44Å
117H91.2Very high94.1Very high145 Ų14547.8 Ų47.867%0.67123%0.232SC*.Hα-helixtrans-62.9-30.5175.8-172.658000113.6K113 S114 L115K113-H117 PolarHBondContact O-N 3.01Å; S114-H117 PolarHBondContact O-N 2.82Å; L115-H117 VanDerWaalsContact C-N 3.32Å; L115-H117 PolarHBondContact O-N 3.19Å
118I90.7Very high94.3Very high101 Ų10148 Ų4852%0.51823%0.234SC..Hα-helixtrans-74.1-37.1175.7-69.1163000111.6S114 L115 L116S114-I118 WeakPolarHBondContact O-CD1 3.45Å; S114-I118 WeakPolarHBondContact O-CG1 3.38Å; S114-I118 PolarHBondContact O-N 3.16Å; S114-I118 VanDerWaalsContact O-N 3.13Å; L115-I118 WeakPolarHBondContact O-CB 3.3Å; L115-I118 PolarHBondContact O-N 2.68Å; L115-I118 VanDerWaalsContact O-N 3.12Å; L116-I118 VanDerWaalsContact C-N 3.26Å; L116-I118 PolarHBondContact O-N 2.85Å
119Y92.3Very high94.4Very high114 Ų11449.6 Ų49.645%0.44724%0.24SC..Hα-helixtrans-87.3-21.8-179.1-84.8-113000113.7L115 L116 Y121 F122 M126L115-Y119 HydrophobicContact CD1-CD2 3.82Å; L115-Y119 HydrophobicContact CD1-CE2 3.56Å; L115-Y119 HydrophobicContact CG-CD2 4.24Å; L115-Y119 HydrophobicContact CG-CE2 4.33Å; L115-Y119 WeakPolarHBondContact O-CD2 3.47Å; L115-Y119 PolarHBondContact O-N 2.95Å; L116-Y119 PolarHBondContact O-N 3.1Å; Y119-Y121 WeakPolarHBondContact CB-O 3.43Å; Y119-Y121 PolarHBondContact O-N 3.2Å; Y119-Y121 VanDerWaalsContact O-N 3.16Å; Y119-F122 HydrophobicContact CD1-CD1 4.44Å; Y119-F122 HydrophobicContact CG-CD1 4.3Å; Y119-F122 HydrophobicContact CG-CE1 4.22Å; Y119-M126 HydrophobicContact CE1-CE 4.37Å; Y119-M126 HydrophobicContact CE1-SD 4.32Å
120G93.3Very high94.7Very high40 Ų4049.4 Ų49.441%0.41224%0.239SC..SBendtrans81.8-61.2-165.600000111.5L116 G696L116-G120 CarbonylContact O-C 3.53Å; L116-G120 WeakPolarHBondContact O-CA 3.28Å; L116-G120 PolarHBondContact O-N 3.38Å; G120-G696 WeakPolarHBondContact O-CA 3.28Å
121Y95.4Very high94.9Very high140 Ų14049.4 Ų49.455%0.54924%0.239SC..SBendtrans-147.6167.8176.162.7-85000110Y119Y119-Y121 WeakPolarHBondContact CB-O 3.43Å; Y119-Y121 PolarHBondContact O-N 3.2Å; Y119-Y121 VanDerWaalsContact O-N 3.16Å
122F97.7Very high95.1Very high2 Ų249.2 Ų49.21%0.00924%0.238CC..  trans-106.5143.7177.6-59-28.3000111.3V112 L115 L116 Y119 M126 A127 Y130 F693V112-F122 HydrophobicContact CG1-CE2 3.77Å; V112-F122 HydrophobicContact CG1-CZ 4Å; L115-F122 HydrophobicContact CB-CZ 4.31Å; L115-F122 HydrophobicContact CD2-CE1 4.23Å; L115-F122 HydrophobicContact CD2-CZ 3.98Å; L115-F122 HydrophobicContact CG-CE1 3.99Å; L115-F122 HydrophobicContact CG-CZ 3.98Å; L116-F122 HydrophobicContact CB-CE1 4.18Å; L116-F122 HydrophobicContact CB-CE2 4.39Å; L116-F122 HydrophobicContact CB-CZ 3.79Å; L116-F122 HydrophobicContact CD1-CD1 3.93Å; L116-F122 HydrophobicContact CD1-CD2 4.01Å; L116-F122 HydrophobicContact CD1-CE1 3.83Å; L116-F122 HydrophobicContact CD1-CE2 3.9Å; L116-F122 HydrophobicContact CD1-CG 4.02Å; L116-F122 HydrophobicContact CD1-CZ 3.81Å; L116-F122 HydrophobicContact CG-CZ 4.43Å; Y119-F122 HydrophobicContact CD1-CD1 4.44Å; Y119-F122 HydrophobicContact CG-CD1 4.3Å; Y119-F122 HydrophobicContact CG-CE1 4.22Å; F122-M126 HydrophobicContact CB-CB 4.24Å; F122-M126 HydrophobicContact CB-CG 4.06Å; F122-M126 HydrophobicContact CB-SD 4.33Å; F122-M126 HydrophobicContact CD1-CE 3.63Å; F122-M126 HydrophobicContact CD1-SD 4.02Å; F122-M126 HydrophobicContact CE1-CE 3.66Å; F122-M126 HydrophobicContact CG-CE 4.11Å; F122-M126 HydrophobicContact CG-CG 4.14Å; F122-M126 HydrophobicContact CG-SD 4.22Å; F122-M126 HydrophobicContact CZ-CE 4.16Å; F122-A127 HydrophobicContact CB-CB 4.43Å; F122-Y130 HydrophobicContact CD2-CD2 4.15Å; F122-Y130 HydrophobicContact CD2-CE2 4.49Å; F122-Y130 AromaticContact CE2-CD2 3.93Å; F122-Y130 HydrophobicContact CE2-CD2 3.93Å; F122-Y130 HydrophobicContact CE2-CE2 4.08Å; F122-Y130 HydrophobicContact CZ-CE2 4.39Å; F122-F693 HydrophobicContact CD2-CB 3.83Å; F122-F693 AromaticContact CD2-CD1 3.93Å; F122-F693 HydrophobicContact CD2-CD1 3.93Å; F122-F693 HydrophobicContact CD2-CD2 4.18Å; F122-F693 AromaticContact CD2-CG 3.72Å; F122-F693 HydrophobicContact CD2-CG 3.72Å; F122-F693 AromaticContact CE2-CD1 3.8Å; F122-F693 HydrophobicContact CE2-CD1 3.8Å; F122-F693 HydrophobicContact CE2-CD2 4.47Å; F122-F693 HydrophobicContact CE2-CE1 4.05Å; F122-F693 HydrophobicContact CE2-CG 4.04Å; F122-F693 HydrophobicContact CE2-CZ 4.5Å; F122-F693 PolarHBondContact N-O 2.82Å
123E96.1Very high95.1Very high154 Ų15449.2 Ų49.272%0.7224%0.238SC*.  trans-64.7155.3169.3-62.1179.3161.400111D125 M126 A127E123-D125 PolarHBondContact O-N 2.91Å; E123-M126 WeakPolarHBondContact O-CA 3.47Å; E123-M126 WeakPolarHBondContact O-CB 3.4Å; E123-M126 PolarHBondContact O-N 2.78Å; E123-A127 PolarHBondContact O-N 3.17Å
124E95.8Very high95.3Very high56 Ų5646.1 Ų46.126%0.26222%0.224SC..Hα-helixtrans-53.6-49.3-173.6-174.2162.9108.900112.4M126 A127 V128 L694 P727 S730 L756E124-M126 PolarHBondContact O-N 2.86Å; E124-M126 VanDerWaalsContact O-N 3.13Å; E124-A127 PolarHBondContact O-N 2.95Å; E124-V128 HydrophobicContact CG-CG2 4.1Å; E124-V128 VanDerWaalsContact O-CB 3.29Å; E124-V128 WeakPolarHBondContact O-CB 3.2Å; E124-V128 WeakPolarHBondContact O-CG2 3.42Å; E124-V128 PolarHBondContact O-N 3.12Å; E124-L694 HydrophobicContact CB-CD2 4.31Å; E124-P727 WeakPolarHBondContact OE2-CB 3.34Å; E124-P727 VanDerWaalsContact OE2-CG 3.31Å; E124-P727 WeakPolarHBondContact OE2-CG 3.48Å; E124-S730 VanDerWaalsContact CD-OG 3.28Å; E124-S730 VanDerWaalsContact OE2-CB 3.31Å; E124-S730 WeakPolarHBondContact OE2-CB 3.34Å; E124-S730 PolarHBondContact OE2-OG 3.02Å; E124-L756 VanDerWaalsContact CD-CD1 3.47Å; E124-L756 HydrophobicContact CG-CD1 3.7Å
125D94.8Very high95.5Very high128 Ų12845.8 Ų45.868%0.68422%0.222SC*.Hα-helixtrans-54.5-33175.9-77.67.9000113.8E123 K129E123-D125 PolarHBondContact O-N 2.91Å; D125-K129 WeakPolarHBondContact O-CG 3.13Å; D125-K129 PolarHBondContact O-N 3.25Å
126M96.4Very high95.6Very high11 Ų1146.7 Ų46.75%0.05423%0.227CC..Hα-helixtrans-82.4-44.4-179179168.3175.300111.6L115 Y119 F122 E123 E124 V128 K129 Y130 P771 F772L115-M126 HydrophobicContact CD2-CE 3.79Å; L115-M126 HydrophobicContact CG-CE 4.46Å; Y119-M126 HydrophobicContact CE1-CE 4.37Å; Y119-M126 HydrophobicContact CE1-SD 4.32Å; F122-M126 HydrophobicContact CB-CB 4.24Å; F122-M126 HydrophobicContact CB-CG 4.06Å; F122-M126 HydrophobicContact CB-SD 4.33Å; F122-M126 HydrophobicContact CD1-CE 3.63Å; F122-M126 HydrophobicContact CD1-SD 4.02Å; F122-M126 HydrophobicContact CE1-CE 3.66Å; F122-M126 HydrophobicContact CG-CE 4.11Å; F122-M126 HydrophobicContact CG-CG 4.14Å; F122-M126 HydrophobicContact CG-SD 4.22Å; F122-M126 HydrophobicContact CZ-CE 4.16Å; E123-M126 WeakPolarHBondContact O-CA 3.47Å; E123-M126 WeakPolarHBondContact O-CB 3.4Å; E123-M126 PolarHBondContact O-N 2.78Å; E124-M126 PolarHBondContact O-N 2.86Å; E124-M126 VanDerWaalsContact O-N 3.13Å; M126-V128 VanDerWaalsContact C-N 3.33Å; M126-V128 PolarHBondContact O-N 3Å; M126-K129 PolarHBondContact O-N 3.4Å; M126-Y130 HydrophobicContact CE-CE2 3.59Å; M126-Y130 HydrophobicContact CG-CD2 4.22Å; M126-Y130 HydrophobicContact CG-CE2 4.01Å; M126-Y130 PolarHBondContact O-N 2.97Å; M126-P771 HydrophobicContact CB-CB 4.15Å; M126-P771 HydrophobicContact CB-CG 3.91Å; M126-P771 HydrophobicContact CG-CB 3.98Å; M126-P771 HydrophobicContact CG-CG 3.91Å; M126-P771 HydrophobicContact SD-CB 3.97Å; M126-F772 HydrophobicContact CE-CB 4.03Å
127A97.6Very high95.6Very high0 Ų046.5 Ų46.50%023%0.226CC..Hα-helixtrans-59.1-4517200000111.2F122 E123 E124 Y130 I131 L690 F693 L694F122-A127 HydrophobicContact CB-CB 4.43Å; E123-A127 PolarHBondContact O-N 3.17Å; E124-A127 PolarHBondContact O-N 2.95Å; A127-Y130 PolarHBondContact O-N 2.73Å; A127-I131 VanDerWaalsContact O-CB 3.31Å; A127-I131 WeakPolarHBondContact O-CB 3.24Å; A127-I131 VanDerWaalsContact O-CG1 3.23Å; A127-I131 WeakPolarHBondContact O-CG1 3.37Å; A127-I131 PolarHBondContact O-N 3.02Å; A127-L690 HydrophobicContact CB-CD1 4.44Å; A127-F693 HydrophobicContact CB-CB 3.82Å; A127-F693 HydrophobicContact CB-CD2 4.36Å; A127-L694 HydrophobicContact CB-CD2 3.75Å; A127-L694 HydrophobicContact CB-CG 4.1Å
128V97.1Very high95.8Very high13 Ų1339.6 Ų39.68%0.07919%0.194CC..Hα-helixtrans-62.5-44.9-179.6167.90000112.3E124 M126 S132 L756 F757 L760E124-V128 HydrophobicContact CG-CG2 4.1Å; E124-V128 VanDerWaalsContact O-CB 3.29Å; E124-V128 WeakPolarHBondContact O-CB 3.2Å; E124-V128 WeakPolarHBondContact O-CG2 3.42Å; E124-V128 PolarHBondContact O-N 3.12Å; M126-V128 VanDerWaalsContact C-N 3.33Å; M126-V128 PolarHBondContact O-N 3Å; V128-S132 VanDerWaalsContact O-CB 3.29Å; V128-S132 WeakPolarHBondContact O-CB 3.37Å; V128-S132 PolarHBondContact O-N 3.1Å; V128-S132 PolarHBondContact O-OG 2.92Å; V128-L756 HydrophobicContact CG2-CD1 3.59Å; V128-L756 HydrophobicContact CG2-CD2 3.94Å; V128-L756 HydrophobicContact CG2-CG 3.51Å; V128-F757 HydrophobicContact CG1-CD1 3.76Å; V128-F757 HydrophobicContact CG1-CE1 4.03Å; V128-L760 HydrophobicContact CG1-CD1 3.99Å
129K96Very high96Very high47 Ų4736.4 Ų36.420%0.20418%0.178CC..Hα-helixtrans-60-50.5175.4-80.5178.7176.4-178.90111.8D125 M126 S132 E133 P769 M770 P771D125-K129 WeakPolarHBondContact O-CG 3.13Å; D125-K129 PolarHBondContact O-N 3.25Å; M126-K129 PolarHBondContact O-N 3.4Å; K129-S132 WeakPolarHBondContact O-CB 3.23Å; K129-S132 PolarHBondContact O-N 3.12Å; K129-E133 PolarHBondContact O-N 3.48Å; K129-E133 VanDerWaalsContact O-N 3.08Å; K129-P769 PolarHBondContact NZ-O 2.93Å; K129-M770 HydrophobicContact CB-CE 4.13Å; K129-P771 HydrophobicContact CD-CG 3.92Å
130Y97.5Very high96Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-64.4-43.5-179.2-74.2-25.7000113L115 F122 M126 A127 S132 E133 V134 I164 M770L115-Y130 HydrophobicContact CD2-CE2 3.97Å; F122-Y130 HydrophobicContact CD2-CD2 4.15Å; F122-Y130 HydrophobicContact CD2-CE2 4.49Å; F122-Y130 AromaticContact CE2-CD2 3.93Å; F122-Y130 HydrophobicContact CE2-CD2 3.93Å; F122-Y130 HydrophobicContact CE2-CE2 4.08Å; F122-Y130 HydrophobicContact CZ-CE2 4.39Å; M126-Y130 HydrophobicContact CE-CE2 3.59Å; M126-Y130 HydrophobicContact CG-CD2 4.22Å; M126-Y130 HydrophobicContact CG-CE2 4.01Å; M126-Y130 PolarHBondContact O-N 2.97Å; A127-Y130 PolarHBondContact O-N 2.73Å; Y130-S132 VanDerWaalsContact C-N 3.27Å; Y130-S132 PolarHBondContact O-N 2.94Å; Y130-E133 PolarHBondContact O-N 3.32Å; Y130-V134 WeakPolarHBondContact O-CG2 3.45Å; Y130-V134 PolarHBondContact O-N 2.63Å; Y130-I164 VanDerWaalsContact CB-CD1 3.49Å; Y130-I164 HydrophobicContact CD1-CD1 3.38Å; Y130-I164 HydrophobicContact CD1-CG1 3.72Å; Y130-I164 HydrophobicContact CD2-CD1 4.25Å; Y130-I164 HydrophobicContact CE1-CD1 4.09Å; Y130-I164 HydrophobicContact CE1-CG1 4.04Å; Y130-I164 HydrophobicContact CG-CD1 3.47Å; Y130-I164 VanDerWaalsContact CG-CD1 3.47Å; Y130-I164 HydrophobicContact CG-CG1 4.31Å; Y130-M770 HydrophobicContact CD1-CE 3.48Å; Y130-M770 VanDerWaalsContact CD1-CE 3.48Å; Y130-M770 HydrophobicContact CE1-CE 3.47Å; Y130-M770 VanDerWaalsContact CE1-CE 3.47Å
131I97.9Very high95.9Very high0 Ų029.7 Ų29.70%014%0.139CC..Hα-helixtrans-65.1-31.7175.4-68.3-67.9000111.6A127 A135 L686 C689 L690 F693 F757A127-I131 VanDerWaalsContact O-CB 3.31Å; A127-I131 WeakPolarHBondContact O-CB 3.24Å; A127-I131 VanDerWaalsContact O-CG1 3.23Å; A127-I131 WeakPolarHBondContact O-CG1 3.37Å; A127-I131 PolarHBondContact O-N 3.02Å; I131-A135 VanDerWaalsContact O-CB 3.23Å; I131-A135 WeakPolarHBondContact O-CB 3.28Å; I131-A135 PolarHBondContact O-N 3.02Å; I131-L686 HydrophobicContact CD1-CD1 3.59Å; I131-L686 HydrophobicContact CD1-CG 4.23Å; I131-L686 HydrophobicContact CG2-CD1 4.07Å; I131-L686 HydrophobicContact CG2-CD2 4.18Å; I131-L686 HydrophobicContact CG2-CG 4.08Å; I131-C689 HydrophobicContact CD1-CB 3.98Å; I131-L690 HydrophobicContact CD1-CB 3.95Å; I131-L690 HydrophobicContact CG1-CB 4.03Å; I131-L690 HydrophobicContact CG1-CD1 3.97Å; I131-F693 HydrophobicContact CD1-CD2 3.86Å; I131-F693 HydrophobicContact CD1-CE2 3.68Å; I131-F693 HydrophobicContact CG1-CD2 3.77Å; I131-F693 HydrophobicContact CG1-CE2 3.89Å; I131-F757 HydrophobicContact CG2-CE1 4.29Å; I131-F757 HydrophobicContact CG2-CZ 4.11Å
132S96.9Very high95.8Very high0 Ų024.5 Ų24.50%012%0.12CC..Hα-helixtrans-68-42.2174.5-59.10000112.7V128 K129 Y130 A135 L136 F757 L760V128-S132 VanDerWaalsContact O-CB 3.29Å; V128-S132 WeakPolarHBondContact O-CB 3.37Å; V128-S132 PolarHBondContact O-N 3.1Å; V128-S132 PolarHBondContact O-OG 2.92Å; K129-S132 WeakPolarHBondContact O-CB 3.23Å; K129-S132 PolarHBondContact O-N 3.12Å; Y130-S132 VanDerWaalsContact C-N 3.27Å; Y130-S132 PolarHBondContact O-N 2.94Å; S132-A135 PolarHBondContact O-N 3.46Å; S132-L136 WeakPolarHBondContact O-CG 3.33Å; S132-L136 PolarHBondContact O-N 2.68Å; S132-F757 VanDerWaalsContact OG-CD1 3.28Å; S132-F757 WeakPolarHBondContact OG-CD1 3.41Å; S132-F757 WeakPolarHBondContact OG-CE1 3.43Å; S132-L760 WeakPolarHBondContact OG-CD1 3.43Å
133E96Very high95.4Very high0 Ų033.1 Ų33.10%015%0.153CC..Hα-helixtrans-64.2-44.1175.3-68.5-166.3133.300111.6F86 K129 Y130 A135 L136 A137 H163 I164 L765 M770F86-E133 HydrophobicContact CD1-CB 3.96Å; F86-E133 HydrophobicContact CD1-CG 4.19Å; F86-E133 HydrophobicContact CE1-CB 4.04Å; F86-E133 HydrophobicContact CE1-CG 3.8Å; K129-E133 PolarHBondContact O-N 3.48Å; K129-E133 VanDerWaalsContact O-N 3.08Å; Y130-E133 PolarHBondContact O-N 3.32Å; E133-A135 PolarHBondContact O-N 3.11Å; E133-L136 PolarHBondContact O-N 3.4Å; E133-A137 PolarHBondContact O-N 3.19Å; E133-H163 IonicContact OE1-CE1 3.19Å; E133-H163 IonicContact OE1-CG 3.41Å; E133-H163 IonicContact OE1-ND1 3.14Å; E133-H163 PolarHBondContact OE1-ND1 3.25Å; E133-I164 HydrophobicContact CB-CB 4.44Å; E133-I164 PolarHBondContact OE2-N 3.36Å; E133-L765 HydrophobicContact CB-CD2 4.36Å; E133-L765 HydrophobicContact CG-CD2 3.57Å; E133-L765 HydrophobicContact CG-CG 3.88Å; E133-M770 HydrophobicContact CG-CE 4.44Å; E133-M770 VanDerWaalsContact OE2-CE 3.25Å; E133-M770 WeakPolarHBondContact OE2-CE 3.3Å
134V97.7Very high94.9Very high0 Ų028.3 Ų28.30%013%0.13CC..Hα-helixtrans-64-40.2175.4179.10000110.9Y130 L136 A137 L138 L151 M156 I164 L166 L686Y130-V134 WeakPolarHBondContact O-CG2 3.45Å; Y130-V134 PolarHBondContact O-N 2.63Å; V134-L136 VanDerWaalsContact C-N 3.33Å; V134-L136 PolarHBondContact O-N 2.82Å; V134-A137 WeakPolarHBondContact O-CA 3.36Å; V134-A137 WeakPolarHBondContact O-CB 3.4Å; V134-A137 PolarHBondContact O-N 3.13Å; V134-A137 VanDerWaalsContact O-N 3.09Å; V134-L138 HydrophobicContact CG1-CD1 4.43Å; V134-L138 HydrophobicContact CG1-CG 4.29Å; V134-L138 WeakPolarHBondContact O-CG 3.24Å; V134-L138 PolarHBondContact O-N 3.5Å; V134-L151 HydrophobicContact CG1-CD1 3.89Å; V134-L151 HydrophobicContact CG1-CD2 4.05Å; V134-M156 HydrophobicContact CG1-CE 4.17Å; V134-M156 HydrophobicContact CG2-CE 3.99Å; V134-M156 HydrophobicContact CG2-CG 4.36Å; V134-M156 HydrophobicContact CG2-SD 3.81Å; V134-I164 HydrophobicContact CG2-CD1 4.28Å; V134-I164 HydrophobicContact CG2-CG2 3.9Å; V134-L166 HydrophobicContact CG1-CD1 4.47Å; V134-L166 HydrophobicContact CG1-CD2 4.24Å; V134-L166 HydrophobicContact CG2-CD2 4.31Å; V134-L686 HydrophobicContact CB-CD1 3.84Å; V134-L686 HydrophobicContact CG1-CD1 3.5Å; V134-L686 VanDerWaalsContact CG1-CD1 3.5Å
135A97.5Very high94.6Very high0 Ų026 Ų260%012%0.122CC..Hα-helixtrans-61.2-38.8175.700000112.5I131 S132 E133 D139 W683 L686 L748 L751 W762I131-A135 VanDerWaalsContact O-CB 3.23Å; I131-A135 WeakPolarHBondContact O-CB 3.28Å; I131-A135 PolarHBondContact O-N 3.02Å; S132-A135 PolarHBondContact O-N 3.46Å; E133-A135 PolarHBondContact O-N 3.11Å; A135-D139 WeakPolarHBondContact O-CB 3.4Å; A135-D139 PolarHBondContact O-N 3.37Å; A135-W683 HydrophobicContact CB-CH2 3.97Å; A135-W683 HydrophobicContact CB-CZ3 3.76Å; A135-W683 WeakPolarHBondContact O-CH2 3.29Å; A135-L686 HydrophobicContact CB-CD2 4.07Å; A135-L748 HydrophobicContact CB-CD1 3.94Å; A135-L751 HydrophobicContact CB-CD1 4.11Å; A135-W762 HydrophobicContact CB-CH2 4.48Å; A135-W762 HydrophobicContact CB-CZ3 4.22Å
136L95.2Very high94.3Very high25 Ų2520 Ų2013%0.1319%0.089CC..Hα-helixtrans-68.9-35172.2-67.2179.4000112.3F86 S132 E133 V134 Y140 L748 W762 L765F86-L136 HydrophobicContact CD2-CB 3.85Å; F86-L136 HydrophobicContact CE2-CB 3.7Å; F86-L136 HydrophobicContact CE2-CD1 3.73Å; F86-L136 HydrophobicContact CE2-CG 4.39Å; F86-L136 HydrophobicContact CZ-CD1 3.97Å; S132-L136 WeakPolarHBondContact O-CG 3.33Å; S132-L136 PolarHBondContact O-N 2.68Å; E133-L136 PolarHBondContact O-N 3.4Å; V134-L136 VanDerWaalsContact C-N 3.33Å; V134-L136 PolarHBondContact O-N 2.82Å; L136-Y140 WeakPolarHBondContact O-CB 3.5Å; L136-Y140 PolarHBondContact O-N 3.47Å; L136-L748 HydrophobicContact CD2-CD1 4.24Å; L136-L748 HydrophobicContact CD2-CD2 4.04Å; L136-W762 HydrophobicContact CD1-CE3 4.45Å; L136-W762 HydrophobicContact CD2-CE3 4.04Å; L136-W762 HydrophobicContact CD2-CZ3 4.5Å; L136-W762 HydrophobicContact CG-CE3 4.12Å; L136-W762 HydrophobicContact CG-CZ3 4.38Å; L136-L765 HydrophobicContact CD1-CB 4.26Å; L136-L765 HydrophobicContact CD1-CD2 3.89Å
137A94.9Very high94.1Very high1 Ų120 Ų201%0.0089%0.089CC..Hα-helixtrans-63.6-46.2173.400000112F86 E133 V134 Y140 L141 L166F86-A137 HydrophobicContact CB-CB 3.63Å; E133-A137 PolarHBondContact O-N 3.19Å; V134-A137 WeakPolarHBondContact O-CA 3.36Å; V134-A137 WeakPolarHBondContact O-CB 3.4Å; V134-A137 PolarHBondContact O-N 3.13Å; V134-A137 VanDerWaalsContact O-N 3.09Å; A137-Y140 WeakPolarHBondContact O-CB 3.5Å; A137-Y140 PolarHBondContact O-N 3.25Å; A137-L141 WeakPolarHBondContact O-CD1 3.36Å; A137-L141 VanDerWaalsContact O-CG 3.24Å; A137-L141 WeakPolarHBondContact O-CG 3.44Å; A137-L141 PolarHBondContact O-N 2.94Å; A137-L166 HydrophobicContact CB-CD1 3.58Å; A137-L166 HydrophobicContact CB-CG 3.86Å
138L95.7Very high93.9Very high0 Ų020 Ų200%09%0.089CC..Hα-helixtrans-63.1-50.6178-68.7-177.3000111.9V134 Y140 L141 H142 H148 L151 L166 D682 W683 L686V134-L138 HydrophobicContact CG1-CD1 4.43Å; V134-L138 HydrophobicContact CG1-CG 4.29Å; V134-L138 WeakPolarHBondContact O-CG 3.24Å; V134-L138 PolarHBondContact O-N 3.5Å; L138-Y140 VanDerWaalsContact C-N 3.28Å; L138-Y140 PolarHBondContact O-N 2.87Å; L138-L141 PolarHBondContact O-N 2.88Å; L138-L141 VanDerWaalsContact O-N 3.09Å; L138-H142 WeakPolarHBondContact O-CB 3.5Å; L138-H142 PolarHBondContact O-CD2 3.31Å; L138-H142 PolarHBondContact O-N 3.46Å; L138-H148 HydrophobicContact CD2-CB 4.29Å; L138-L151 HydrophobicContact CD1-CD2 3.85Å; L138-L151 HydrophobicContact CD2-CD1 4.38Å; L138-L151 HydrophobicContact CD2-CD2 4.2Å; L138-L151 HydrophobicContact CG-CD2 4.42Å; L138-L166 HydrophobicContact CD2-CD1 4.16Å; L138-D682 HydrophobicContact CD1-CB 3.97Å; L138-D682 HydrophobicContact CD2-CB 3.73Å; L138-D682 HydrophobicContact CG-CB 4.43Å; L138-W683 HydrophobicContact CB-CH2 4.06Å; L138-W683 HydrophobicContact CB-CZ2 3.93Å; L138-W683 HydrophobicContact CD1-CD2 4.31Å; L138-W683 HydrophobicContact CD1-CE3 4.2Å; L138-W683 HydrophobicContact CD1-CH2 4.47Å; L138-W683 HydrophobicContact CD1-CZ3 4.27Å; L138-L686 HydrophobicContact CD1-CB 4.3Å; L138-L686 HydrophobicContact CD1-CD2 4.33Å
139D94.2Very high93.7Very high33 Ų3323 Ų2318%0.17610%0.099CC..Hα-helixtrans-60.1-37.4176.7170.964.7000112.2A135 R143 W683 L748A135-D139 WeakPolarHBondContact O-CB 3.4Å; A135-D139 PolarHBondContact O-N 3.37Å; D139-R143 VanDerWaalsContact CG-NH2 3.31Å; D139-R143 WeakPolarHBondContact O-CB 3.33Å; D139-R143 WeakPolarHBondContact O-CD 3.4Å; D139-R143 WeakPolarHBondContact O-CG 3.29Å; D139-R143 PolarHBondContact O-N 3.15Å; D139-R143 VanDerWaalsContact O-N 3.1Å; D139-R143 IonicContact OD1-CZ 3.02Å; D139-R143 IonicContact OD1-NE 2.66Å; D139-R143 PolarHBondContact OD1-NE 3.39Å; D139-R143 IonicContact OD1-NH2 3.05Å; D139-R143 PolarHBondContact OD1-NH2 2.82Å; D139-R143 VanDerWaalsContact OD1-NH2 3.14Å; D139-R143 IonicContact OD2-CZ 3.7Å; D139-R143 IonicContact OD2-NE 3.66Å; D139-R143 PolarHBondContact OD2-NE 2.71Å; D139-R143 IonicContact OD2-NH2 3.98Å; D139-R143 PolarHBondContact OD2-NH2 3.43Å; D139-W683 HydrophobicContact CB-CZ2 4.4Å; D139-L748 HydrophobicContact CB-CB 4.2Å; D139-L748 HydrophobicContact CB-CD2 3.54Å; D139-L748 HydrophobicContact CB-CG 4.44Å; D139-L748 VanDerWaalsContact OD2-CD2 3.25Å; D139-L748 WeakPolarHBondContact OD2-CD2 3.31Å
140Y91.8Very high93.4Very high13 Ų1321.5 Ų21.55%0.0519%0.094CC..Hα-helixtrans-59.1-51.8170.1174.2-91.3000111.8K83 V87 L136 A137 L138 H142 R143 H144 L191K83-Y140 PolarHBondContact N-OH 2.83Å; V87-Y140 HydrophobicContact CG2-CD1 4.46Å; L136-Y140 WeakPolarHBondContact O-CB 3.5Å; L136-Y140 PolarHBondContact O-N 3.47Å; A137-Y140 WeakPolarHBondContact O-CB 3.5Å; A137-Y140 PolarHBondContact O-N 3.25Å; L138-Y140 VanDerWaalsContact C-N 3.28Å; L138-Y140 PolarHBondContact O-N 2.87Å; Y140-H142 PolarHBondContact O-N 3.32Å; Y140-R143 PolarHBondContact O-N 2.9Å; Y140-H144 AromaticContact CD2-CE1 3.66Å; Y140-H144 AromaticContact CD2-ND1 3.84Å; Y140-H144 AromaticContact CE1-ND1 3.91Å; Y140-H144 AromaticContact CE2-CE1 3.13Å; Y140-H144 WeakPolarHBondContact CE2-CE1 3.36Å; Y140-H144 AromaticContact CE2-ND1 3.57Å; Y140-H144 AromaticContact CE2-NE2 3.92Å; Y140-H144 AromaticContact CZ-CE1 3.45Å; Y140-H144 VanDerWaalsContact CZ-CE1 3.45Å; Y140-H144 AromaticContact CZ-ND1 3.57Å; Y140-H144 AromaticContact CZ-NE2 3.98Å; Y140-H144 PolarHBondContact O-N 3.08Å; Y140-H144 PolarHBondContact O-ND1 3.33Å; Y140-L191 HydrophobicContact CD2-CD1 3.58Å; Y140-L191 HydrophobicContact CE2-CD1 3.88Å
141L92Very high93.4Very high0 Ų021.6 Ų21.60%09%0.094CC..Hα-helixtrans-61.3-45.7-178.9-69.9164.6000111.6V87 A137 L138 R143 H144 G145 I146 L166 F169V87-L141 HydrophobicContact CG2-CD2 4.22Å; V87-L141 HydrophobicContact CG2-CG 4.37Å; A137-L141 WeakPolarHBondContact O-CD1 3.36Å; A137-L141 VanDerWaalsContact O-CG 3.24Å; A137-L141 WeakPolarHBondContact O-CG 3.44Å; A137-L141 PolarHBondContact O-N 2.94Å; L138-L141 PolarHBondContact O-N 2.88Å; L138-L141 VanDerWaalsContact O-N 3.09Å; L141-R143 VanDerWaalsContact C-N 3.35Å; L141-R143 PolarHBondContact O-N 2.76Å; L141-H144 CarbonylContact O-C 3.59Å; L141-H144 WeakPolarHBondContact O-CA 3.3Å; L141-H144 PolarHBondContact O-N 3.27Å; L141-G145 PolarHBondContact O-N 3.45Å; L141-I146 CarbonylContact C-O 3.57Å; L141-I146 HydrophobicContact CB-CB 4.16Å; L141-I146 HydrophobicContact CB-CG2 4.49Å; L141-I146 HydrophobicContact CD2-CB 4.09Å; L141-I146 HydrophobicContact CD2-CD1 3.96Å; L141-I146 HydrophobicContact CD2-CG2 3.98Å; L141-I146 PolarHBondContact O-N 3.13Å; L141-I146 VanDerWaalsContact O-O 3.13Å; L141-L166 HydrophobicContact CD1-CD1 4.02Å; L141-F169 HydrophobicContact CD1-CE1 3.68Å; L141-F169 HydrophobicContact CD1-CZ 4.14Å; L141-F169 HydrophobicContact CD2-CE1 3.56Å; L141-F169 HydrophobicContact CD2-CZ 4.06Å; L141-F169 HydrophobicContact CG-CE1 4.27Å
142H92.8Very high93.2Very high32 Ų3222.4 Ų22.415%0.14810%0.098CC..Hα-helixtrans-63.5-40-177.3-63.9-178.6000111.5L138 Y140 H144 G145 I146 C679 D682 W683L138-H142 WeakPolarHBondContact O-CB 3.5Å; L138-H142 PolarHBondContact O-CD2 3.31Å; L138-H142 PolarHBondContact O-N 3.46Å; Y140-H142 PolarHBondContact O-N 3.32Å; H142-H144 VanDerWaalsContact C-N 3.26Å; H142-H144 PolarHBondContact O-N 2.97Å; H142-G145 PolarHBondContact O-N 3.15Å; H142-G145 VanDerWaalsContact O-N 3.07Å; H142-I146 WeakPolarHBondContact CA-O 3.42Å; H142-I146 PolarHBondContact CD2-O 3.04Å; H142-I146 PolarHBondContact N-O 2.92Å; H142-C679 HydrophobicContact CB-CB 4.4Å; H142-C679 PolarHBondContact CE1-O 3.21Å; H142-C679 VanDerWaalsContact CE1-O 3.31Å; H142-C679 PolarHBondContact ND1-SG 3.33Å; H142-C679 VanDerWaalsContact ND1-SG 3.4Å; H142-D682 IonicContact CD2-OD2 3.56Å; H142-D682 IonicContact CE1-OD2 2.92Å; H142-D682 IonicContact NE2-OD2 3.97Å; H142-D682 PolarHBondContact NE2-OD2 3.14Å; H142-W683 AromaticContact CE1-CD1 3.68Å; H142-W683 AromaticContact CE1-CE2 3.87Å; H142-W683 AromaticContact CE1-NE1 3.15Å; H142-W683 PolarHBondContact CE1-NE1 2.91Å; H142-W683 AromaticContact ND1-CE2 3.94Å; H142-W683 AromaticContact ND1-NE1 3.17Å; H142-W683 PolarHBondContact ND1-NE1 2.91Å; H142-W683 VanDerWaalsContact ND1-NE1 3.17Å
143R89.6Confident93.2Very high182 Ų18222.4 Ų22.469%0.68710%0.098SC*.Hα-helixtrans-63.1-29.8172.7-72.1171-168.8-153.913113.3D139 Y140 L141 G145D139-R143 VanDerWaalsContact CG-NH2 3.31Å; D139-R143 WeakPolarHBondContact O-CB 3.33Å; D139-R143 WeakPolarHBondContact O-CD 3.4Å; D139-R143 WeakPolarHBondContact O-CG 3.29Å; D139-R143 PolarHBondContact O-N 3.15Å; D139-R143 VanDerWaalsContact O-N 3.1Å; D139-R143 IonicContact OD1-CZ 3.02Å; D139-R143 IonicContact OD1-NE 2.66Å; D139-R143 PolarHBondContact OD1-NE 3.39Å; D139-R143 IonicContact OD1-NH2 3.05Å; D139-R143 PolarHBondContact OD1-NH2 2.82Å; D139-R143 VanDerWaalsContact OD1-NH2 3.14Å; D139-R143 IonicContact OD2-CZ 3.7Å; D139-R143 IonicContact OD2-NE 3.66Å; D139-R143 PolarHBondContact OD2-NE 2.71Å; D139-R143 IonicContact OD2-NH2 3.98Å; D139-R143 PolarHBondContact OD2-NH2 3.43Å; Y140-R143 PolarHBondContact O-N 2.9Å; L141-R143 VanDerWaalsContact C-N 3.35Å; L141-R143 PolarHBondContact O-N 2.76Å; R143-G145 VanDerWaalsContact C-N 3.3Å
144H86.6Confident92.9Very high53 Ų5323.5 Ų23.525%0.24510%0.104CC..THydrogen-bonded Turntrans-88.56.6175-68.282.8000113.2Y140 L141 H142 I146 P189Y140-H144 AromaticContact CD2-CE1 3.66Å; Y140-H144 AromaticContact CD2-ND1 3.84Å; Y140-H144 AromaticContact CE1-ND1 3.91Å; Y140-H144 AromaticContact CE2-CE1 3.13Å; Y140-H144 WeakPolarHBondContact CE2-CE1 3.36Å; Y140-H144 AromaticContact CE2-ND1 3.57Å; Y140-H144 AromaticContact CE2-NE2 3.92Å; Y140-H144 AromaticContact CZ-CE1 3.45Å; Y140-H144 VanDerWaalsContact CZ-CE1 3.45Å; Y140-H144 AromaticContact CZ-ND1 3.57Å; Y140-H144 AromaticContact CZ-NE2 3.98Å; Y140-H144 PolarHBondContact O-N 3.08Å; Y140-H144 PolarHBondContact O-ND1 3.33Å; L141-H144 CarbonylContact O-C 3.59Å; L141-H144 WeakPolarHBondContact O-CA 3.3Å; L141-H144 PolarHBondContact O-N 3.27Å; H142-H144 VanDerWaalsContact C-N 3.26Å; H142-H144 PolarHBondContact O-N 2.97Å; H144-I146 VanDerWaalsContact C-N 3.29Å; H144-I146 HydrophobicContact CB-CD1 4.42Å; H144-I146 PolarHBondContact O-N 3.44Å; H144-P189 WeakPolarHBondContact NE2-CD 3.3Å
145G87.6Confident92.8Very high9 Ų923.9 Ų23.99%0.09311%0.106CC..THydrogen-bonded Turntrans7222.1179.700000114L141 H142 R143 K175L141-G145 PolarHBondContact O-N 3.45Å; H142-G145 PolarHBondContact O-N 3.15Å; H142-G145 VanDerWaalsContact O-N 3.07Å; R143-G145 VanDerWaalsContact C-N 3.3Å; G145-K175 WeakPolarHBondContact O-CG 3.36Å; G145-K175 PolarHBondContact O-N 3.02Å
146I90.1Very high92.7Very high0 Ų023.9 Ų23.90%011%0.106CC..EExtended strand (participates in β ladder)trans-101.6133.9172.9-54.9167.8000108.2A78 L141 H142 H144 F169 K173 V174A78-I146 HydrophobicContact CB-CD1 4.2Å; A78-I146 HydrophobicContact CB-CG2 4.03Å; L141-I146 CarbonylContact C-O 3.57Å; L141-I146 HydrophobicContact CB-CB 4.16Å; L141-I146 HydrophobicContact CB-CG2 4.49Å; L141-I146 HydrophobicContact CD2-CB 4.09Å; L141-I146 HydrophobicContact CD2-CD1 3.96Å; L141-I146 HydrophobicContact CD2-CG2 3.98Å; L141-I146 PolarHBondContact O-N 3.13Å; L141-I146 VanDerWaalsContact O-O 3.13Å; H142-I146 WeakPolarHBondContact CA-O 3.42Å; H142-I146 PolarHBondContact CD2-O 3.04Å; H142-I146 PolarHBondContact N-O 2.92Å; H144-I146 VanDerWaalsContact C-N 3.29Å; H144-I146 HydrophobicContact CB-CD1 4.42Å; H144-I146 PolarHBondContact O-N 3.44Å; I146-F169 HydrophobicContact CG2-CD1 4.33Å; I146-K173 CarbonylContact C-O 3.54Å; I146-K173 WeakPolarHBondContact CA-O 3.49Å; I146-V174 HydrophobicContact CG1-CG1 4.34Å; I146-V174 HydrophobicContact CG1-CG2 4.39Å
147I92.5Very high92.7Very high11 Ų1124.1 Ų24.16%0.05611%0.107CC..EExtended strand (participates in β ladder)trans-117.6125.9172-47.6175.9000107.4R149 S172 K173 C679 V681 D682I147-R149 HydrophobicContact CG2-CG 4.06Å; I147-S172 CarbonylContact O-C 3.21Å; I147-S172 WeakPolarHBondContact O-CA 3.05Å; I147-S172 WeakPolarHBondContact O-CB 3.25Å; I147-S172 PolarHBondContact O-OG 3.3Å; I147-K173 HydrophobicContact CB-CB 4.2Å; I147-K173 HydrophobicContact CD1-CB 4.27Å; I147-K173 HydrophobicContact CD1-CD 4.37Å; I147-K173 HydrophobicContact CG1-CB 4.37Å; I147-K173 PolarHBondContact N-O 2.85Å; I147-K173 PolarHBondContact O-N 2.98Å; I147-C679 HydrophobicContact CD1-CB 4.34Å; I147-C679 HydrophobicContact CG1-CB 4.03Å; I147-C679 HydrophobicContact CG2-CB 4.13Å; I147-V681 HydrophobicContact CG2-CG2 3.83Å; I147-D682 WeakPolarHBondContact CG2-OD2 3.48Å
148H92.9Very high92.7Very high0 Ų024 Ų240%011%0.106CC..  trans-68.8-48.6-169-162.2-81.4000112.5L138 D150 L151 T167 F169 S172 D682L138-H148 HydrophobicContact CD2-CB 4.29Å; H148-D150 PolarHBondContact CE1-O 3.15Å; H148-D150 VanDerWaalsContact CE1-O 3.27Å; H148-D150 VanDerWaalsContact ND1-C 3.29Å; H148-D150 PolarHBondContact ND1-O 2.78Å; H148-D150 PolarHBondContact O-N 2.54Å; H148-L151 PolarHBondContact ND1-N 2.82Å; H148-T167 PolarHBondContact CE1-O 3.09Å; H148-T167 PolarHBondContact NE2-O 3.04Å; H148-F169 AromaticContact CD2-CD1 3.91Å; H148-F169 AromaticContact CD2-CE1 3.49Å; H148-F169 VanDerWaalsContact CD2-CE1 3.49Å; H148-F169 WeakPolarHBondContact CD2-CE1 3.34Å; H148-F169 AromaticContact CD2-CZ 3.98Å; H148-F169 AromaticContact NE2-CE1 3.92Å; H148-S172 WeakPolarHBondContact CA-OG 3.19Å; H148-S172 WeakPolarHBondContact O-CA 3.33Å; H148-S172 PolarHBondContact O-OG 2.9Å; H148-D682 PolarHBondContact N-OD1 2.92Å; H148-D682 PolarHBondContact N-OD2 2.95Å
149R92Very high92.6Very high76 Ų7624.3 Ų24.329%0.28711%0.108SC..  trans62.3-24.6-178.6-68.7165.3154.8-173.3-9117.7I147 L171 H677 V681 D682I147-R149 HydrophobicContact CG2-CG 4.06Å; R149-L171 HydrophobicContact CB-CB 4.28Å; R149-L171 WeakPolarHBondContact CD-O 3.41Å; R149-L171 PolarHBondContact NH1-O 3.03Å; R149-H677 PolarHBondContact NE-NE2 3.07Å; R149-H677 PolarHBondContact NH2-NE2 3.47Å; R149-V681 HydrophobicContact CG-CG2 4.2Å; R149-D682 WeakPolarHBondContact CA-OD1 3.37Å; R149-D682 PolarHBondContact N-OD1 3.31Å
150D91.1Very high92.5Very high17 Ų1727.5 Ų27.59%0.09113%0.125CC..  trans-115.550.8175.1-162.328000111.7H148 K152 N155 L171H148-D150 PolarHBondContact CE1-O 3.15Å; H148-D150 VanDerWaalsContact CE1-O 3.27Å; H148-D150 VanDerWaalsContact ND1-C 3.29Å; H148-D150 PolarHBondContact ND1-O 2.78Å; H148-D150 PolarHBondContact O-N 2.54Å; D150-K152 IonicContact OD1-NZ 3.39Å; D150-K152 PolarHBondContact OD1-NZ 2.74Å; D150-K152 IonicContact OD2-NZ 3.74Å; D150-K152 PolarHBondContact OD2-NZ 3.3Å; D150-N155 PolarHBondContact O-ND2 3.44Å; D150-N155 PolarHBondContact OD2-ND2 2.78Å; D150-L171 HydrophobicContact CB-CB 4.2Å; D150-L171 HydrophobicContact CB-CD1 3.98Å; D150-L171 HydrophobicContact CB-CG 4.3Å
151L95.6Very high92.6Very high1 Ų131.8 Ų31.81%0.00515%0.146CC..  trans-82.5118.6179.5-17375000110.1V134 L138 H148 M156 L166 D682 A685 L686V134-L151 HydrophobicContact CG1-CD1 3.89Å; V134-L151 HydrophobicContact CG1-CD2 4.05Å; L138-L151 HydrophobicContact CD1-CD2 3.85Å; L138-L151 HydrophobicContact CD2-CD1 4.38Å; L138-L151 HydrophobicContact CD2-CD2 4.2Å; L138-L151 HydrophobicContact CG-CD2 4.42Å; H148-L151 PolarHBondContact ND1-N 2.82Å; L151-M156 HydrophobicContact CD1-CE 3.98Å; L151-M156 HydrophobicContact CG-CE 4.09Å; L151-L166 HydrophobicContact CD1-CD1 3.96Å; L151-L166 HydrophobicContact CD1-CD2 3.71Å; L151-D682 WeakPolarHBondContact CD2-O 3.49Å; L151-A685 HydrophobicContact CB-CB 3.86Å; L151-A685 HydrophobicContact CD2-CB 4.18Å; L151-A685 HydrophobicContact CG-CB 4.46Å; L151-L686 HydrophobicContact CD2-CB 4.17Å; L151-L686 HydrophobicContact CD2-CD1 4.38Å
152K94.9Very high92.7Very high18 Ų1831.8 Ų31.88%0.07815%0.146CC..SBendtrans-160.9162.7178.251.5165.2179-95.20109.8D150 D154 N155 Y666D150-K152 IonicContact OD1-NZ 3.39Å; D150-K152 PolarHBondContact OD1-NZ 2.74Å; D150-K152 IonicContact OD2-NZ 3.74Å; D150-K152 PolarHBondContact OD2-NZ 3.3Å; K152-D154 HydrophobicContact CD-CB 3.83Å; K152-D154 HydrophobicContact CG-CB 4.12Å; K152-D154 PolarHBondContact O-N 2.96Å; K152-D154 VanDerWaalsContact O-N 3.15Å; K152-N155 HydrophobicContact CG-CB 4.33Å; K152-N155 PolarHBondContact O-N 3.17Å; K152-Y666 HydrophobicContact CB-CD1 3.8Å; K152-Y666 HydrophobicContact CB-CD2 3.85Å; K152-Y666 HydrophobicContact CB-CE1 3.71Å; K152-Y666 HydrophobicContact CB-CE2 3.76Å; K152-Y666 HydrophobicContact CB-CG 3.88Å; K152-Y666 HydrophobicContact CD-CE2 4.39Å
153P95.8Very high92.9Very high0 Ų031.2 Ų31.20%014%0.143CC..G310 helixtrans-61.5-22.9-177.7-25.936.7000115.1V112 K113 N155 M156 E692 F693V112-P153 HydrophobicContact CB-CB 4.25Å; V112-P153 HydrophobicContact CG1-CB 4.34Å; V112-P153 PolarHBondContact N-O 2.86Å; K113-P153 HydrophobicContact CB-CB 3.94Å; K113-P153 HydrophobicContact CD-CB 4.16Å; K113-P153 PolarHBondContact N-O 3.48Å; P153-N155 PolarHBondContact O-N 2.66Å; P153-M156 PolarHBondContact O-N 3.2Å; P153-E692 WeakPolarHBondContact CD-OE2 3.45Å; P153-E692 VanDerWaalsContact CG-OE2 3.27Å; P153-E692 WeakPolarHBondContact CG-OE2 3.45Å; P153-F693 HydrophobicContact CB-CE1 4.16Å; P153-F693 HydrophobicContact CG-CE1 3.8Å
154D91.5Very high93.2Very high22 Ų2222.6 Ų22.612%0.11811%0.111CC..G310 helixtrans-60.2-32.6170.2-70.1-105.4000113.3K152 M156 R788K152-D154 HydrophobicContact CD-CB 3.83Å; K152-D154 HydrophobicContact CG-CB 4.12Å; K152-D154 PolarHBondContact O-N 2.96Å; K152-D154 VanDerWaalsContact O-N 3.15Å; D154-M156 VanDerWaalsContact C-N 3.34Å; D154-R788 IonicContact OD1-CZ 2.69Å; D154-R788 IonicContact OD1-NH1 3.56Å; D154-R788 PolarHBondContact OD1-NH1 2.71Å; D154-R788 IonicContact OD1-NH2 3.63Å; D154-R788 PolarHBondContact OD1-NH2 3.24Å
155N93.9Very high93.6Very high8 Ų821.5 Ų21.54%0.04311%0.105CC..G310 helixtrans-99.413.9-173.5-66.9-3.7000111.6D150 K152 P153 L166 T167D150-N155 PolarHBondContact O-ND2 3.44Å; D150-N155 PolarHBondContact OD2-ND2 2.78Å; K152-N155 HydrophobicContact CG-CB 4.33Å; K152-N155 PolarHBondContact O-N 3.17Å; P153-N155 PolarHBondContact O-N 2.66Å; N155-L166 WeakPolarHBondContact O-CA 3.27Å; N155-T167 PolarHBondContact O-N 2.96Å
156M96.1Very high94Very high0 Ų021 Ų210%010%0.101CC..EExtended strand (participates in β ladder)trans-112.5111.6173.1-58.8176.7-170.200108.1D111 V112 V134 L151 P153 D154 I164 L166 C689 F693D111-M156 CarbonylContact C-O 3.52Å; D111-M156 VanDerWaalsContact CA-O 3.3Å; D111-M156 WeakPolarHBondContact CA-O 3.12Å; V112-M156 HydrophobicContact CB-CB 4Å; V112-M156 HydrophobicContact CG2-CB 3.61Å; V112-M156 PolarHBondContact N-O 3Å; V134-M156 HydrophobicContact CG1-CE 4.17Å; V134-M156 HydrophobicContact CG2-CE 3.99Å; V134-M156 HydrophobicContact CG2-CG 4.36Å; V134-M156 HydrophobicContact CG2-SD 3.81Å; L151-M156 HydrophobicContact CD1-CE 3.98Å; L151-M156 HydrophobicContact CG-CE 4.09Å; P153-M156 PolarHBondContact O-N 3.2Å; D154-M156 VanDerWaalsContact C-N 3.34Å; M156-I164 HydrophobicContact CB-CG2 3.98Å; M156-I164 HydrophobicContact CG-CG2 4.38Å; M156-L166 HydrophobicContact CG-CD2 3.82Å; M156-C689 HydrophobicContact CE-CB 4.14Å; M156-C689 VanDerWaalsContact CE-SG 3.58Å; M156-F693 HydrophobicContact SD-CZ 3.87Å
157L95.5Very high94.1Very high30 Ų3021.9 Ų21.916%0.15711%0.106CC..EExtended strand (participates in β ladder)trans-102.8146.3-179.8-63.5-177.2000111.7V88 L107 G110 D111 I164 K165 T167V88-L157 HydrophobicContact CG2-CD1 4.15Å; L107-L157 HydrophobicContact CB-CB 4.25Å; L107-L157 HydrophobicContact CD1-CB 3.52Å; L107-L157 HydrophobicContact CD1-CD1 4.1Å; L107-L157 HydrophobicContact CD1-CG 4.47Å; G110-L157 WeakPolarHBondContact O-CA 3.34Å; G110-L157 WeakPolarHBondContact O-CD2 2.99Å; D111-L157 HydrophobicContact CB-CD2 3.87Å; L157-I164 CarbonylContact O-C 3.59Å; L157-I164 WeakPolarHBondContact O-CA 3.34Å; L157-K165 PolarHBondContact N-O 3.27Å; L157-K165 PolarHBondContact O-N 3.41Å; L157-T167 HydrophobicContact CD1-CG2 3.87Å; L157-T167 HydrophobicContact CD2-CG2 4.49Å; L157-T167 HydrophobicContact CG-CG2 3.81Å
158I95.5Very high93.7Very high0 Ų022.8 Ų22.80%011%0.111CC..EExtended strand (participates in β ladder)trans-104.7126.4-172.4-58157.6000111.1G109 G110 V112 L115 F772 P774G109-I158 WeakPolarHBondContact CA-O 3.21Å; G109-I158 PolarHBondContact N-O 3.01Å; G110-I158 PolarHBondContact O-N 2.71Å; V112-I158 HydrophobicContact CG2-CD1 3.96Å; V112-I158 HydrophobicContact CG2-CG1 3.76Å; L115-I158 HydrophobicContact CB-CD1 3.96Å; L115-I158 HydrophobicContact CD2-CD1 3.74Å; L115-I158 HydrophobicContact CG-CD1 4.42Å; I158-F772 HydrophobicContact CD1-CD1 4.42Å; I158-F772 HydrophobicContact CD1-CE1 4.21Å; I158-F772 HydrophobicContact CG2-CD1 4.21Å; I158-F772 HydrophobicContact CG2-CE1 4.1Å; I158-P774 HydrophobicContact CG2-CG 4.04Å
159S93.7Very high93.1Very high5 Ų522.8 Ų22.84%0.03511%0.111CC..  trans-73.1167.6177.885.70000113E161 G162 H163 P774S159-E161 PolarHBondContact O-N 3.16Å; S159-E161 VanDerWaalsContact O-N 3.11Å; S159-E161 PolarHBondContact OG-N 3.03Å; S159-G162 PolarHBondContact O-N 3Å; S159-G162 PolarHBondContact OG-N 3.48Å; S159-H163 WeakPolarHBondContact CB-O 3.3Å; S159-H163 PolarHBondContact N-O 3.36Å; S159-H163 PolarHBondContact OG-N 3.31Å; S159-H163 PolarHBondContact OG-O 3.12Å; S159-P774 VanDerWaalsContact O-CD 3.31Å; S159-P774 WeakPolarHBondContact O-CD 3.47Å; S159-P774 WeakPolarHBondContact O-CG 3.32Å
160N92.3Very high92Very high100 Ų10019.4 Ų19.454%0.53510%0.099SC..THydrogen-bonded Turntrans-62.9-10.3170.965.2-73.8000114.1I108I108-N160 HydrophobicContact CG2-CB 3.98Å
161E93.4Very high91.1Very high103 Ų10320 Ų2048%0.48110%0.102SC..THydrogen-bonded Turntrans-104.3-0.2175.2-71.3166.1-175.500111.7S159 H163S159-E161 PolarHBondContact O-N 3.16Å; S159-E161 VanDerWaalsContact O-N 3.11Å; S159-E161 PolarHBondContact OG-N 3.03Å; E161-H163 IonicContact OE2-CD2 3.65Å
162G94.6Very high90.3Very high0 Ų020.2 Ų20.20%010%0.104CC..SBendtrans88.7-4-179.800000115.6S159 F772S159-G162 PolarHBondContact O-N 3Å; S159-G162 PolarHBondContact OG-N 3.48Å; G162-F772 VanDerWaalsContact CA-O 3.25Å; G162-F772 WeakPolarHBondContact CA-O 3.29Å
163H95.4Very high89.5Confident21 Ų2124.1 Ų24.110%0.09712%0.121CC..  trans-75.7143.1-179.6-64.2-67.4000112.7E133 S159 E161 L765 Q768 M770E133-H163 IonicContact OE1-CE1 3.19Å; E133-H163 IonicContact OE1-CG 3.41Å; E133-H163 IonicContact OE1-ND1 3.14Å; E133-H163 PolarHBondContact OE1-ND1 3.25Å; S159-H163 WeakPolarHBondContact CB-O 3.3Å; S159-H163 PolarHBondContact N-O 3.36Å; S159-H163 PolarHBondContact OG-N 3.31Å; S159-H163 PolarHBondContact OG-O 3.12Å; E161-H163 IonicContact OE2-CD2 3.65Å; H163-L765 PolarHBondContact CE1-O 3.13Å; H163-Q768 PolarHBondContact CE1-O 3.44Å; H163-Q768 VanDerWaalsContact CE1-O 3.26Å; H163-M770 WeakPolarHBondContact ND1-CG 3.31Å
164I96.1Very high88.5Confident1 Ų125.3 Ų25.31%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-80.3141.8178.2-71.3179.4000112.5V112 Y130 E133 V134 M156 L157V112-I164 HydrophobicContact CG2-CD1 3.78Å; V112-I164 HydrophobicContact CG2-CG1 4.03Å; Y130-I164 VanDerWaalsContact CB-CD1 3.49Å; Y130-I164 HydrophobicContact CD1-CD1 3.38Å; Y130-I164 HydrophobicContact CD1-CG1 3.72Å; Y130-I164 HydrophobicContact CD2-CD1 4.25Å; Y130-I164 HydrophobicContact CE1-CD1 4.09Å; Y130-I164 HydrophobicContact CE1-CG1 4.04Å; Y130-I164 HydrophobicContact CG-CD1 3.47Å; Y130-I164 VanDerWaalsContact CG-CD1 3.47Å; Y130-I164 HydrophobicContact CG-CG1 4.31Å; E133-I164 HydrophobicContact CB-CB 4.44Å; E133-I164 PolarHBondContact OE2-N 3.36Å; V134-I164 HydrophobicContact CG2-CD1 4.28Å; V134-I164 HydrophobicContact CG2-CG2 3.9Å; M156-I164 HydrophobicContact CB-CG2 3.98Å; M156-I164 HydrophobicContact CG-CG2 4.38Å; L157-I164 CarbonylContact O-C 3.59Å; L157-I164 WeakPolarHBondContact O-CA 3.34Å
165K95.5Very high87.7Confident29 Ų2931.6 Ų31.613%0.12615%0.154CC..EExtended strand (participates in β ladder)trans-129.8135163.6-53.2-161.4-176.7-174.60112.2P85 F86 V88 E105 L107 L157P85-K165 WeakPolarHBondContact O-CD 3.49Å; P85-K165 WeakPolarHBondContact O-CE 3.48Å; P85-K165 WeakPolarHBondContact O-CG 3.47Å; F86-K165 WeakPolarHBondContact O-CA 3.39Å; V88-K165 HydrophobicContact CG2-CB 4.03Å; E105-K165 WeakPolarHBondContact OE1-CD 3.37Å; E105-K165 IonicContact OE1-NZ 3.77Å; E105-K165 PolarHBondContact OE1-NZ 2.72Å; E105-K165 IonicContact OE2-NZ 2.68Å; E105-K165 PolarHBondContact OE2-NZ 2.7Å; L107-K165 HydrophobicContact CD1-CB 3.91Å; L107-K165 HydrophobicContact CD1-CD 4.06Å; L107-K165 HydrophobicContact CD1-CG 4.14Å; L107-K165 HydrophobicContact CD2-CD 4.15Å; L157-K165 PolarHBondContact N-O 3.27Å; L157-K165 PolarHBondContact O-N 3.41Å
166L95.7Very high86.1Confident0 Ų033.1 Ų33.10%016%0.163CC..EExtended strand (participates in β ladder)trans-77.1145.5175.9-62.8-172.6000112.9F86 V88 V134 A137 L138 L141 L151 N155 M156 F169F86-L166 PolarHBondContact O-N 3.38Å; V88-L166 WeakPolarHBondContact CG2-O 3.47Å; V88-L166 PolarHBondContact N-O 3.06Å; V134-L166 HydrophobicContact CG1-CD1 4.47Å; V134-L166 HydrophobicContact CG1-CD2 4.24Å; V134-L166 HydrophobicContact CG2-CD2 4.31Å; A137-L166 HydrophobicContact CB-CD1 3.58Å; A137-L166 HydrophobicContact CB-CG 3.86Å; L138-L166 HydrophobicContact CD2-CD1 4.16Å; L141-L166 HydrophobicContact CD1-CD1 4.02Å; L151-L166 HydrophobicContact CD1-CD1 3.96Å; L151-L166 HydrophobicContact CD1-CD2 3.71Å; N155-L166 WeakPolarHBondContact O-CA 3.27Å; M156-L166 HydrophobicContact CG-CD2 3.82Å; L166-F169 HydrophobicContact CB-CZ 4.16Å
167T92.1Very high84.4Confident17 Ų1741.3 Ų41.310%0.10421%0.206CC..  trans-144.8178.3-177.7-159.90000113H148 N155 L157H148-T167 PolarHBondContact CE1-O 3.09Å; H148-T167 PolarHBondContact NE2-O 3.04Å; N155-T167 PolarHBondContact O-N 2.96Å; L157-T167 HydrophobicContact CD1-CG2 3.87Å; L157-T167 HydrophobicContact CD2-CG2 4.49Å; L157-T167 HydrophobicContact CG-CG2 3.81Å
168D83.6Confident83.2Confident31 Ų3146.9 Ų46.917%0.16623%0.225CC..  trans55.655.3178.8-147.614.9000115K56 G170K56-D168 IonicContact NZ-OD1 2.66Å; K56-D168 PolarHBondContact NZ-OD1 2.81Å; D168-G170 PolarHBondContact O-N 3.44Å
169F80.6Confident82.2Confident0 Ų052 Ų520%025%0.249CC..G310 helixtrans-66.620.7177.3-67.3-91.7000114.9E75 A78 L79 V87 L141 I146 H148 L166 L171 S172E75-F169 HydrophobicContact CB-CB 4.49Å; E75-F169 HydrophobicContact CG-CB 4.29Å; A78-F169 HydrophobicContact CB-CB 3.72Å; A78-F169 HydrophobicContact CB-CD1 3.8Å; A78-F169 HydrophobicContact CB-CG 3.84Å; L79-F169 HydrophobicContact CD2-CD2 3.48Å; L79-F169 VanDerWaalsContact CD2-CD2 3.48Å; L79-F169 HydrophobicContact CD2-CE2 3.56Å; L79-F169 HydrophobicContact CG-CD2 3.77Å; L79-F169 HydrophobicContact CG-CE2 4.33Å; V87-F169 HydrophobicContact CG1-CE2 3.76Å; V87-F169 HydrophobicContact CG1-CZ 3.62Å; V87-F169 HydrophobicContact CG2-CZ 4.38Å; L141-F169 HydrophobicContact CD1-CE1 3.68Å; L141-F169 HydrophobicContact CD1-CZ 4.14Å; L141-F169 HydrophobicContact CD2-CE1 3.56Å; L141-F169 HydrophobicContact CD2-CZ 4.06Å; L141-F169 HydrophobicContact CG-CE1 4.27Å; I146-F169 HydrophobicContact CG2-CD1 4.33Å; H148-F169 AromaticContact CD2-CD1 3.91Å; H148-F169 AromaticContact CD2-CE1 3.49Å; H148-F169 VanDerWaalsContact CD2-CE1 3.49Å; H148-F169 WeakPolarHBondContact CD2-CE1 3.34Å; H148-F169 AromaticContact CD2-CZ 3.98Å; H148-F169 AromaticContact NE2-CE1 3.92Å; L166-F169 HydrophobicContact CB-CZ 4.16Å; F169-L171 PolarHBondContact O-N 3.39Å; F169-S172 VanDerWaalsContact CA-OG 3.27Å; F169-S172 WeakPolarHBondContact CA-OG 3.42Å; F169-S172 WeakPolarHBondContact CD1-OG 3.33Å; F169-S172 WeakPolarHBondContact O-CB 3.1Å; F169-S172 PolarHBondContact O-N 3.43Å; F169-S172 VanDerWaalsContact O-N 3.13Å; F169-S172 PolarHBondContact O-OG 3.23Å
170G69.2Low81.6Confident4 Ų452.3 Ų52.34%0.04125%0.25CS..G310 helixtrans-67.4-31.3-172.800000114.8Q71 D168 S172Q71-G170 WeakPolarHBondContact CA-O 2.87Å; Q71-G170 WeakPolarHBondContact CB-O 3.48Å; Q71-G170 WeakPolarHBondContact CG-O 3.37Å; Q71-G170 PolarHBondContact NE2-O 3.42Å; D168-G170 PolarHBondContact O-N 3.44Å; G170-S172 VanDerWaalsContact C-N 3.35Å
171L72.1Confident80.9Confident29 Ų2949.5 Ų49.515%0.15224%0.238CC..G310 helixtrans-89.2-4.2174.4-61.6-173.8000112.9Q71 R149 D150 F169 L661Q71-L171 VanDerWaalsContact NE2-CD2 3.34Å; R149-L171 HydrophobicContact CB-CB 4.28Å; R149-L171 WeakPolarHBondContact CD-O 3.41Å; R149-L171 PolarHBondContact NH1-O 3.03Å; D150-L171 HydrophobicContact CB-CB 4.2Å; D150-L171 HydrophobicContact CB-CD1 3.98Å; D150-L171 HydrophobicContact CB-CG 4.3Å; F169-L171 PolarHBondContact O-N 3.39Å; L171-L661 HydrophobicContact CD1-CB 4.05Å; L171-L661 HydrophobicContact CD2-CB 4.2Å; L171-L661 HydrophobicContact CD2-CD2 3.74Å; L171-L661 HydrophobicContact CD2-CG 4.45Å
172S79.1Confident80.2Confident7 Ų748.6 Ų48.65%0.04924%0.236CC..  trans-67.2146.4-168.4-60.10000113.4I147 H148 F169 G170I147-S172 CarbonylContact O-C 3.21Å; I147-S172 WeakPolarHBondContact O-CA 3.05Å; I147-S172 WeakPolarHBondContact O-CB 3.25Å; I147-S172 PolarHBondContact O-OG 3.3Å; H148-S172 WeakPolarHBondContact CA-OG 3.19Å; H148-S172 WeakPolarHBondContact O-CA 3.33Å; H148-S172 PolarHBondContact O-OG 2.9Å; F169-S172 VanDerWaalsContact CA-OG 3.27Å; F169-S172 WeakPolarHBondContact CA-OG 3.42Å; F169-S172 WeakPolarHBondContact CD1-OG 3.33Å; F169-S172 WeakPolarHBondContact O-CB 3.1Å; F169-S172 PolarHBondContact O-N 3.43Å; F169-S172 VanDerWaalsContact O-N 3.13Å; F169-S172 PolarHBondContact O-OG 3.23Å; G170-S172 VanDerWaalsContact C-N 3.35Å
173K78Confident79.2Confident100 Ų10054.9 Ų54.944%0.43527%0.268SS..EExtended strand (participates in β ladder)trans-96.5112.1171.3-161.9-178.1-173.8-179.90109.2I146 I147I146-K173 CarbonylContact C-O 3.54Å; I146-K173 WeakPolarHBondContact CA-O 3.49Å; I147-K173 HydrophobicContact CB-CB 4.2Å; I147-K173 HydrophobicContact CD1-CB 4.27Å; I147-K173 HydrophobicContact CD1-CD 4.37Å; I147-K173 HydrophobicContact CG1-CB 4.37Å; I147-K173 PolarHBondContact N-O 2.85Å; I147-K173 PolarHBondContact O-N 2.98Å
174V75.8Confident78.4Confident25 Ų2554.7 Ų54.715%0.15227%0.267CS..EExtended strand (participates in β ladder)trans-95130.8167.7-170.60000108.2A78 L81 I146 L176A78-V174 HydrophobicContact CB-CG2 3.94Å; L81-V174 HydrophobicContact CD1-CG1 3.84Å; I146-V174 HydrophobicContact CG1-CG1 4.34Å; I146-V174 HydrophobicContact CG1-CG2 4.39Å; V174-L176 HydrophobicContact CG1-CB 4.03Å; V174-L176 HydrophobicContact CG1-CD1 3.96Å; V174-L176 HydrophobicContact CG1-CG 4.35Å; V174-L176 PolarHBondContact O-N 3.34Å
175K72.8Confident77.6Confident153 Ų15354.8 Ų54.867%0.66527%0.267SS*.SBendtrans-75.133.5176-70.9-179.8-179.2177.20113.9G145G145-K175 WeakPolarHBondContact O-CG 3.36Å; G145-K175 PolarHBondContact O-N 3.02Å
176L62.1Low76.6Confident41 Ų4158.6 Ų58.622%0.21529%0.289CS..  trans-107.794.6175.7-88.6155.9000109.2L81 V174 R178 L180L81-L176 HydrophobicContact CD1-CD1 3.47Å; L81-L176 VanDerWaalsContact CD1-CD1 3.47Å; L81-L176 HydrophobicContact CD2-CD1 4.11Å; L81-L176 HydrophobicContact CG-CD1 4.39Å; V174-L176 HydrophobicContact CG1-CB 4.03Å; V174-L176 HydrophobicContact CG1-CD1 3.96Å; V174-L176 HydrophobicContact CG1-CG 4.35Å; V174-L176 PolarHBondContact O-N 3.34Å; L176-R178 HydrophobicContact CD2-CG 3.69Å; L176-R178 PolarHBondContact O-N 2.93Å; L176-L180 HydrophobicContact CD1-CD2 4.36Å
177D60.2Low75.3Confident172 Ų17263.3 Ų63.392%0.9232%0.318SS*.SBendtrans-75.823.7173.7-50.6-52.6000112.2
178R70.7Confident74.1Confident147 Ų14763.3 Ų63.356%0.55532%0.318SS*.SBendtrans-144.3165.7-179.563.8161.2178-98.82.3110.5L176 D184L176-R178 HydrophobicContact CD2-CG 3.69Å; L176-R178 PolarHBondContact O-N 2.93Å; R178-D184 IonicContact CZ-OD1 2.54Å; R178-D184 IonicContact NE-OD1 2.74Å; R178-D184 IonicContact NE-OD2 2.78Å; R178-D184 IonicContact NH2-OD1 3.6Å; R178-D184 PolarHBondContact NH2-OD1 2.86Å; R178-D184 IonicContact NH2-OD2 2.7Å
179E74.4Confident72.8Confident108 Ų10865.7 Ų65.751%0.50534%0.335SS..PPolyproline II helixtrans-65.9150170-53.4-131.9102.900111.8K73 S181K73-E179 IonicContact NZ-OE1 3.81Å; K73-E179 PolarHBondContact NZ-OE1 3.45Å; E179-S181 PolarHBondContact O-N 3.5Å
180L79.2Confident71.8Confident11 Ų1168.1 Ų68.16%0.05835%0.352CS..PPolyproline II helixtrans-52.6122.3170.9-70.8-179.9000111D77 A80 L81 L176 I209D77-L180 HydrophobicContact CB-CD1 4.31Å; D77-L180 HydrophobicContact CB-CD2 4.03Å; D77-L180 HydrophobicContact CB-CG 4.09Å; D77-L180 VanDerWaalsContact OD1-CD1 3.28Å; D77-L180 WeakPolarHBondContact OD1-CD1 3.43Å; D77-L180 WeakPolarHBondContact OD1-CG 3.36Å; A80-L180 HydrophobicContact CB-CD1 3.69Å; L81-L180 HydrophobicContact CD1-CD2 4.15Å; L81-L180 HydrophobicContact CD2-CD2 3.92Å; L81-L180 HydrophobicContact CG-CD2 3.9Å; L176-L180 HydrophobicContact CD1-CD2 4.36Å; L180-I209 HydrophobicContact CB-CG2 4.3Å
181S78.4Confident71.1Confident40 Ų4071.3 Ų71.328%0.2837%0.367SS..PPolyproline II helixtrans-98.1161.8168.877.10000111.7E179 M183 D184E179-S181 PolarHBondContact O-N 3.5Å; S181-M183 PolarHBondContact O-N 2.9Å; S181-M183 WeakPolarHBondContact OG-CB 3.27Å; S181-M183 PolarHBondContact OG-N 2.97Å; S181-D184 VanDerWaalsContact CB-OD2 3.3Å; S181-D184 WeakPolarHBondContact CB-OD2 3.34Å; S181-D184 PolarHBondContact N-OD2 3.3Å; S181-D184 PolarHBondContact O-N 3.31Å; S181-D184 VanDerWaalsContact OG-CG 3.28Å; S181-D184 PolarHBondContact OG-N 3.22Å; S181-D184 PolarHBondContact OG-OD2 2.96Å
182L78.8Confident69.8Low84 Ų8475 Ų7544%0.4440%0.403SS..Hα-helixtrans-55-33.8168.7177.360.1000112L186 V205 I209L182-L186 HydrophobicContact CD1-CD1 3.82Å; L182-L186 HydrophobicContact CD1-CG 4.08Å; L182-L186 HydrophobicContact CG-CD1 3.88Å; L182-L186 HydrophobicContact CG-CG 4.47Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.5Å; L182-L186 PolarHBondContact O-N 3.08Å; L182-V205 HydrophobicContact CD1-CG1 3.41Å; L182-V205 VanDerWaalsContact CD1-CG1 3.41Å; L182-I209 HydrophobicContact CB-CD1 4.11Å
183M73.9Confident68.4Low133 Ų13383 Ų8366%0.65544%0.436SS*.Hα-helixtrans-62-48.1177.7-64.3-65.7-175.600110.6S181 I185 L186 T187S181-M183 PolarHBondContact O-N 2.9Å; S181-M183 WeakPolarHBondContact OG-CB 3.27Å; S181-M183 PolarHBondContact OG-N 2.97Å; M183-I185 VanDerWaalsContact C-N 3.34Å; M183-I185 PolarHBondContact O-N 3.5Å; M183-L186 PolarHBondContact O-N 3.18Å; M183-T187 WeakPolarHBondContact O-CB 3.48Å; M183-T187 WeakPolarHBondContact O-CG2 3.4Å; M183-T187 PolarHBondContact O-N 2.9Å; M183-T187 PolarHBondContact O-OG1 3.22Å
184D78.7Confident67Low16 Ų1680.5 Ų80.59%0.08643%0.431CS..Hα-helixtrans-60.4-42.1-174.2-54.8-60.2000112L81 R178 S181 T188L81-D184 HydrophobicContact CD2-CB 3.79Å; R178-D184 IonicContact CZ-OD1 2.54Å; R178-D184 IonicContact NE-OD1 2.74Å; R178-D184 IonicContact NE-OD2 2.78Å; R178-D184 IonicContact NH2-OD1 3.6Å; R178-D184 PolarHBondContact NH2-OD1 2.86Å; R178-D184 IonicContact NH2-OD2 2.7Å; S181-D184 VanDerWaalsContact CB-OD2 3.3Å; S181-D184 WeakPolarHBondContact CB-OD2 3.34Å; S181-D184 PolarHBondContact N-OD2 3.3Å; S181-D184 PolarHBondContact O-N 3.31Å; S181-D184 VanDerWaalsContact OG-CG 3.28Å; S181-D184 PolarHBondContact OG-N 3.22Å; S181-D184 PolarHBondContact OG-OD2 2.96Å; D184-T188 WeakPolarHBondContact O-CB 3.39Å; D184-T188 PolarHBondContact O-N 3.4Å; D184-T188 VanDerWaalsContact O-N 3.11Å; D184-T188 PolarHBondContact O-OG1 2.93Å
185I78.6Confident66Low3 Ų383.5 Ų83.52%0.01544%0.441CS..Hα-helixtrans-70.3-32.6177.4-58-172.5000111.7A80 K83 M183 V205 L208 I209A80-I185 HydrophobicContact CB-CD1 4.26Å; K83-I185 VanDerWaalsContact CE-O 3.23Å; K83-I185 WeakPolarHBondContact CE-O 3.47Å; K83-I185 PolarHBondContact NZ-O 2.83Å; M183-I185 VanDerWaalsContact C-N 3.34Å; M183-I185 PolarHBondContact O-N 3.5Å; I185-V205 HydrophobicContact CB-CG1 4.27Å; I185-V205 HydrophobicContact CD1-CG1 4.38Å; I185-V205 HydrophobicContact CG2-CG1 4.07Å; I185-V205 HydrophobicContact CG2-CG2 4.32Å; I185-L208 HydrophobicContact CD1-CB 3.69Å; I185-L208 HydrophobicContact CD1-CD1 4.16Å; I185-I209 HydrophobicContact CD1-CG2 3.52Å; I185-I209 HydrophobicContact CG1-CG2 4.28Å
186L73.8Confident65Low110 Ų11085.2 Ų85.258%0.57645%0.449SS*.Hα-helixtrans-79.6-41178.8-68.5178.7000112.8L182 M183L182-L186 HydrophobicContact CD1-CD1 3.82Å; L182-L186 HydrophobicContact CD1-CG 4.08Å; L182-L186 HydrophobicContact CG-CD1 3.88Å; L182-L186 HydrophobicContact CG-CG 4.47Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.5Å; L182-L186 PolarHBondContact O-N 3.08Å; M183-L186 PolarHBondContact O-N 3.18Å
187T70Confident64.7Low99 Ų9987.3 Ų87.361%0.60746%0.46SS*.Hα-helixtrans-81.5-20.7-176.960.40000113.9M183 P189M183-T187 WeakPolarHBondContact O-CB 3.48Å; M183-T187 WeakPolarHBondContact O-CG2 3.4Å; M183-T187 PolarHBondContact O-N 2.9Å; M183-T187 PolarHBondContact O-OG1 3.22Å; T187-P189 VanDerWaalsContact O-CD 3.29Å; T187-P189 WeakPolarHBondContact O-CD 3.35Å; T187-P189 VanDerWaalsContact O-N 3.08Å
188T66Low64.9Low17 Ų1780.7 Ų80.710%0.10442%0.423CS..SBendtrans-54.8115.6175.1-68.70000110.3L81 K83 D184 S190L81-T188 VanDerWaalsContact O-CG2 3.22Å; L81-T188 WeakPolarHBondContact O-CG2 3.42Å; K83-T188 HydrophobicContact CD-CG2 4.48Å; K83-T188 PolarHBondContact NZ-O 2.84Å; D184-T188 WeakPolarHBondContact O-CB 3.39Å; D184-T188 PolarHBondContact O-N 3.4Å; D184-T188 VanDerWaalsContact O-N 3.11Å; D184-T188 PolarHBondContact O-OG1 2.93Å; T188-S190 PolarHBondContact O-N 2.77Å
189P57.4Low64.9Low80 Ų8081.2 Ų81.252%0.51943%0.43SS..PPolyproline II helixtrans-69.6129.1-176.126.9-33.2000110.8H144 T187H144-P189 WeakPolarHBondContact NE2-CD 3.3Å; T187-P189 VanDerWaalsContact O-CD 3.29Å; T187-P189 WeakPolarHBondContact O-CD 3.35Å; T187-P189 VanDerWaalsContact O-N 3.08Å
190S57.8Low65.2Low52 Ų5277.6 Ų77.636%0.36441%0.412SS..PPolyproline II helixtrans-68.8157.2162.251.60000109.8T188T188-S190 PolarHBondContact O-N 2.77Å
191L55.5Low65.4Low70 Ų7080.5 Ų80.537%0.36643%0.43SS..PPolyproline II helixtrans-50.4147.2161.7-98.472.7000110P85 Y140 K193 P194P85-L191 HydrophobicContact CG-CD2 4.15Å; Y140-L191 HydrophobicContact CD2-CD1 3.58Å; Y140-L191 HydrophobicContact CE2-CD1 3.88Å; L191-K193 PolarHBondContact O-N 2.79Å; L191-P194 WeakPolarHBondContact O-CD 3.11Å
192A44.2Very low65.6Low108 Ų10883.6 Ų83.689%0.89345%0.449SS*.SBendtrans-62.3-6.3-168.200000115.6
193K49.6Very low65.7Low173 Ų17380.9 Ų80.975%0.75244%0.442SS*.SBendtrans-137.782.2172.6-62.9175.7-172.8167.10109.6L191 K195L191-K193 PolarHBondContact O-N 2.79Å; K193-K195 PolarHBondContact O-N 3.47Å; K193-K195 VanDerWaalsContact O-N 3.13Å
194P49.4Very low66.3Low49 Ų4975.3 Ų75.332%0.31841%0.414SS..  trans-67.2114.1175.327-31.9000110.2L191 F198L191-P194 WeakPolarHBondContact O-CD 3.11Å; P194-F198 HydrophobicContact CB-CD2 4.1Å
195K53.8Low66.6Low87 Ų8775 Ų7538%0.37841%0.412SS..  trans-52.8143.2156.3-73.1-179.2171.9-177.80107.5K193 D197 F198 Q766 D767K193-K195 PolarHBondContact O-N 3.47Å; K193-K195 VanDerWaalsContact O-N 3.13Å; K195-D197 PolarHBondContact O-N 2.94Å; K195-F198 VanDerWaalsContact O-CD2 3.28Å; K195-F198 WeakPolarHBondContact O-CD2 3.32Å; K195-Q766 PolarHBondContact NZ-O 2.99Å; K195-D767 WeakPolarHBondContact CE-OD1 3.18Å; K195-D767 VanDerWaalsContact NZ-CG 3.34Å; K195-D767 IonicContact NZ-OD1 3.55Å; K195-D767 PolarHBondContact NZ-OD1 3.13Å; K195-D767 IonicContact NZ-OD2 3.78Å
196K52.8Low66.8Low190 Ų19080.2 Ų80.283%0.82644%0.44SS*.THydrogen-bonded Turntrans-57.6-8.2-148.9-73.8176.2176.2171.70119.1
197D55.4Low67.5Low84 Ų8475.4 Ų75.445%0.44942%0.416SS..THydrogen-bonded Turntrans-96.3-9-164.8-88.142.3000116.1R51 K195 F199R51-D197 IonicContact CZ-OD2 2.7Å; R51-D197 VanDerWaalsContact CZ-OD2 3.22Å; R51-D197 IonicContact NH1-OD2 3.99Å; R51-D197 PolarHBondContact NH1-OD2 3.5Å; R51-D197 IonicContact NH2-OD2 3.47Å; R51-D197 PolarHBondContact NH2-OD2 3.18Å; K195-D197 PolarHBondContact O-N 2.94Å; D197-F199 PolarHBondContact O-N 3.44Å; D197-F199 VanDerWaalsContact O-N 3.15Å
198F64.6Low68.3Low33 Ų3370.7 Ų70.715%0.14539%0.387CS..  trans-74.50.4-176.3-64.2-74.6000115.6S84 H89 P194 K195 R200S84-F198 WeakPolarHBondContact O-CE1 3.46Å; H89-F198 AromaticContact ND1-CD1 3.68Å; P194-F198 HydrophobicContact CB-CD2 4.1Å; K195-F198 VanDerWaalsContact O-CD2 3.28Å; K195-F198 WeakPolarHBondContact O-CD2 3.32Å; F198-R200 PolarHBondContact O-N 3.24Å
199F70.5Confident69.3Low158 Ų15872 Ų7269%0.69339%0.393SS*.  trans-79.3102.1179.5-68.3-78.5000111.7D197D197-F199 PolarHBondContact O-N 3.44Å; D197-F199 VanDerWaalsContact O-N 3.15Å
200R81.3Confident70.6Confident33 Ų3369.9 Ų69.913%0.12538%0.38CS..  trans-77126173.8-62.6-174.5177118.2-1.5110.8L79 A80 S82 H89 L90 F198 Q204 V205L79-R200 PolarHBondContact O-NH2 3.45Å; A80-R200 PolarHBondContact O-NH1 3.27Å; S82-R200 PolarHBondContact O-NH2 3.41Å; H89-R200 PolarHBondContact CE1-NE 3.22Å; H89-R200 PolarHBondContact CE1-NH2 3.3Å; H89-R200 PolarHBondContact NE2-NE 3.13Å; L90-R200 PolarHBondContact O-NE 3.4Å; L90-R200 PolarHBondContact O-NH2 3.33Å; F198-R200 PolarHBondContact O-N 3.24Å; R200-Q204 HydrophobicContact CB-CB 4.24Å; R200-V205 HydrophobicContact CB-CG2 3.7Å
201T83.7Confident71.7Confident71 Ų7171.3 Ų71.344%0.43639%0.389SS..  trans-66.3157.2171.860.90000111.3G203 Q204 V205T201-G203 PolarHBondContact O-N 2.74Å; T201-Q204 WeakPolarHBondContact O-CB 3.41Å; T201-Q204 PolarHBondContact O-N 3.11Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.41Å; T201-Q204 PolarHBondContact OG1-N 2.75Å; T201-Q204 PolarHBondContact OG1-OE1 3.47Å; T201-V205 PolarHBondContact O-N 3.13Å
202P81.9Confident72.9Confident106 Ų10669.1 Ų69.169%0.68838%0.378SS*.Hα-helixtrans-53.6-38.9178.6-28.836.2000113.8Q204 V205 L206P202-Q204 PolarHBondContact O-N 3.26Å; P202-V205 PolarHBondContact O-N 3.5Å; P202-L206 WeakPolarHBondContact O-CB 3.37Å; P202-L206 VanDerWaalsContact O-CG 3.3Å; P202-L206 WeakPolarHBondContact O-CG 3.38Å; P202-L206 PolarHBondContact O-N 3.4Å
203G82.1Confident74.3Confident27 Ų2765.2 Ų65.228%0.27835%0.348SS..Hα-helixtrans-67-30.7176.400000114.3T201 S207T201-G203 PolarHBondContact O-N 2.74Å; G203-S207 WeakPolarHBondContact O-CB 3.46Å; G203-S207 PolarHBondContact O-N 2.93Å; G203-S207 VanDerWaalsContact O-N 3.13Å
204Q85.9Confident75.5Confident16 Ų1659.5 Ų59.58%0.07532%0.323CS..Hα-helixtrans-70.2-46.3171.2-73.7165.5-57.100110.7F91 Y92 R200 T201 P202 L206 S207 L208F91-Q204 WeakPolarHBondContact O-CB 3.46Å; F91-Q204 VanDerWaalsContact O-CG 3.29Å; F91-Q204 WeakPolarHBondContact O-CG 3.44Å; Y92-Q204 HydrophobicContact CD1-CG 3.76Å; Y92-Q204 HydrophobicContact CE1-CB 4.35Å; Y92-Q204 HydrophobicContact CE1-CG 3.27Å; Y92-Q204 HydrophobicContact CE2-CG 4.25Å; Y92-Q204 HydrophobicContact CG-CG 4.42Å; R200-Q204 HydrophobicContact CB-CB 4.24Å; T201-Q204 WeakPolarHBondContact O-CB 3.41Å; T201-Q204 PolarHBondContact O-N 3.11Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.41Å; T201-Q204 PolarHBondContact OG1-N 2.75Å; T201-Q204 PolarHBondContact OG1-OE1 3.47Å; P202-Q204 PolarHBondContact O-N 3.26Å; Q204-L206 PolarHBondContact O-N 3.39Å; Q204-S207 WeakPolarHBondContact O-CB 3.44Å; Q204-S207 PolarHBondContact O-N 3.3Å; Q204-S207 VanDerWaalsContact O-N 3.15Å; Q204-L208 WeakPolarHBondContact O-CG 3.48Å; Q204-L208 PolarHBondContact O-N 2.99Å
205V83.9Confident75.9Confident8 Ų864.5 Ų64.55%0.04835%0.347CS..Hα-helixtrans-62.1-43.1179.1-176.90000111.4L182 I185 R200 T201 P202 S207 L208 I209L182-V205 HydrophobicContact CD1-CG1 3.41Å; L182-V205 VanDerWaalsContact CD1-CG1 3.41Å; I185-V205 HydrophobicContact CB-CG1 4.27Å; I185-V205 HydrophobicContact CD1-CG1 4.38Å; I185-V205 HydrophobicContact CG2-CG1 4.07Å; I185-V205 HydrophobicContact CG2-CG2 4.32Å; R200-V205 HydrophobicContact CB-CG2 3.7Å; T201-V205 PolarHBondContact O-N 3.13Å; P202-V205 PolarHBondContact O-N 3.5Å; V205-S207 VanDerWaalsContact C-N 3.33Å; V205-S207 PolarHBondContact O-N 3.18Å; V205-L208 PolarHBondContact O-N 2.87Å; V205-I209 PolarHBondContact O-N 3.04Å; V205-I209 VanDerWaalsContact O-N 3.15Å
206L84.1Confident75.4Confident113 Ų11364 Ų6459%0.59235%0.352SS*.Hα-helixtrans-62.3-36.6174.1-71.7172.8000112.9P202 Q204 I209 S210P202-L206 WeakPolarHBondContact O-CB 3.37Å; P202-L206 VanDerWaalsContact O-CG 3.3Å; P202-L206 WeakPolarHBondContact O-CG 3.38Å; P202-L206 PolarHBondContact O-N 3.4Å; Q204-L206 PolarHBondContact O-N 3.39Å; L206-I209 HydrophobicContact CD2-CD1 4.33Å; L206-S210 PolarHBondContact O-N 2.81Å
207S88.3Confident74.6Confident10 Ų1061.3 Ų61.37%0.0735%0.353CS..Hα-helixtrans-65-43.9173.9162.40000111.8S93 G203 Q204 V205 S210S93-S207 VanDerWaalsContact C-OG 3.31Å; S93-S207 PolarHBondContact N-OG 2.65Å; S93-S207 PolarHBondContact O-OG 3Å; G203-S207 WeakPolarHBondContact O-CB 3.46Å; G203-S207 PolarHBondContact O-N 2.93Å; G203-S207 VanDerWaalsContact O-N 3.13Å; Q204-S207 WeakPolarHBondContact O-CB 3.44Å; Q204-S207 PolarHBondContact O-N 3.3Å; Q204-S207 VanDerWaalsContact O-N 3.15Å; V205-S207 VanDerWaalsContact C-N 3.33Å; V205-S207 PolarHBondContact O-N 3.18Å; S207-S210 WeakPolarHBondContact O-CB 3.31Å; S207-S210 PolarHBondContact O-N 3.29Å; S207-S210 PolarHBondContact O-OG 3.48Å
208L86.9Confident73.6Confident0 Ų062.7 Ų62.70%037%0.365CS..Hα-helixtrans-65.1-40.7-179.5-66.6174.8000113.3R76 A80 L90 I185 Q204 V205 S210R76-L208 PolarHBondContact NH1-O 3.01Å; A80-L208 HydrophobicContact CB-CB 4.13Å; A80-L208 HydrophobicContact CB-CD1 4.18Å; A80-L208 HydrophobicContact CB-CD2 4.13Å; A80-L208 HydrophobicContact CB-CG 4.37Å; L90-L208 HydrophobicContact CD2-CD2 3.54Å; L90-L208 HydrophobicContact CG-CD2 3.73Å; I185-L208 HydrophobicContact CD1-CB 3.69Å; I185-L208 HydrophobicContact CD1-CD1 4.16Å; Q204-L208 WeakPolarHBondContact O-CG 3.48Å; Q204-L208 PolarHBondContact O-N 2.99Å; V205-L208 PolarHBondContact O-N 2.87Å; L208-S210 VanDerWaalsContact C-N 3.3Å; L208-S210 PolarHBondContact O-N 3.31Å
209I85.7Confident72.2Confident45 Ų4567.1 Ų67.123%0.23139%0.394CS..THydrogen-bonded Turntrans-82.2-0.8178.570.7-178.4000114L180 L182 I185 V205 L206 S211L180-I209 HydrophobicContact CB-CG2 4.3Å; L182-I209 HydrophobicContact CB-CD1 4.11Å; I185-I209 HydrophobicContact CD1-CG2 3.52Å; I185-I209 HydrophobicContact CG1-CG2 4.28Å; V205-I209 PolarHBondContact O-N 3.04Å; V205-I209 VanDerWaalsContact O-N 3.15Å; L206-I209 HydrophobicContact CD2-CD1 4.33Å; I209-S211 PolarHBondContact O-N 3.37Å
210S84.8Confident70.5Confident35 Ų3569.4 Ų69.425%0.24541%0.408CS..  trans-62.6135.8-178.365.90000111.7R76 L206 S207 L208R76-S210 PolarHBondContact NH1-O 3.45Å; L206-S210 PolarHBondContact O-N 2.81Å; S207-S210 WeakPolarHBondContact O-CB 3.31Å; S207-S210 PolarHBondContact O-N 3.29Å; S207-S210 PolarHBondContact O-OG 3.48Å; L208-S210 VanDerWaalsContact C-N 3.3Å; L208-S210 PolarHBondContact O-N 3.31Å
211S81.4Confident68Low81 Ų8171.1 Ų71.157%0.56644%0.435SS*.  trans-70.8134-179.550.90000111Q95 I209 G213Q95-S211 PolarHBondContact NE2-O 3.48Å; I209-S211 PolarHBondContact O-N 3.37Å; S211-G213 PolarHBondContact O-N 3.48Å
212L80.3Confident65.8Low25 Ų2577.4 Ų77.413%0.13146%0.456CS..  trans-85.4103.2-173.3-64.7161.9000109.8M72 K73 I100 F214M72-L212 HydrophobicContact CE-CD1 3.51Å; M72-L212 HydrophobicContact CE-CD2 3.99Å; M72-L212 HydrophobicContact CE-CG 4.25Å; M72-L212 HydrophobicContact SD-CD1 4.35Å; K73-L212 HydrophobicContact CB-CD1 4.5Å; I100-L212 HydrophobicContact CD1-CD2 4.36Å; I100-L212 HydrophobicContact CG2-CD2 4.35Å; L212-F214 HydrophobicContact CB-CD2 4.22Å; L212-F214 HydrophobicContact CB-CE2 3.78Å; L212-F214 WeakPolarHBondContact O-CD2 3.2Å; L212-F214 PolarHBondContact O-N 3.46Å
213G74.9Confident63.4Low25 Ų2584 Ų8426%0.25847%0.467SS..  trans-76.590.8-175.300000112.5K60 Q95 S211 N215K60-G213 WeakPolarHBondContact CD-O 3.34Å; K60-G213 VanDerWaalsContact CE-O 3.32Å; K60-G213 WeakPolarHBondContact CE-O 3.44Å; K60-G213 PolarHBondContact NZ-O 3.24Å; Q95-G213 VanDerWaalsContact OE1-N 3.08Å; S211-G213 PolarHBondContact O-N 3.48Å; G213-N215 PolarHBondContact O-N 2.83Å
214F74.1Confident60.9Low54 Ų5491.7 Ų91.724%0.23750%0.496CS..  trans-88.173.5168.5-66.6-81000110.2K60 M63 V64 A69 M72 I100 L212 T216K60-F214 HydrophobicContact CG-CD1 4.49Å; K60-F214 HydrophobicContact CG-CE1 4.49Å; M63-F214 HydrophobicContact CB-CE1 4.1Å; M63-F214 HydrophobicContact CE-CE1 3.78Å; M63-F214 HydrophobicContact CE-CZ 3.63Å; M63-F214 HydrophobicContact SD-CE1 4.23Å; V64-F214 HydrophobicContact CG2-CD1 4.11Å; A69-F214 HydrophobicContact CB-CD1 4.33Å; A69-F214 HydrophobicContact CB-CD2 4.41Å; A69-F214 HydrophobicContact CB-CE1 4.01Å; A69-F214 HydrophobicContact CB-CE2 4.09Å; A69-F214 HydrophobicContact CB-CZ 3.88Å; M72-F214 HydrophobicContact CE-CE2 4.34Å; M72-F214 HydrophobicContact CE-CZ 3.8Å; I100-F214 HydrophobicContact CD1-CE1 3.83Å; I100-F214 HydrophobicContact CD1-CE2 4.44Å; I100-F214 HydrophobicContact CD1-CZ 3.67Å; L212-F214 HydrophobicContact CB-CD2 4.22Å; L212-F214 HydrophobicContact CB-CE2 3.78Å; L212-F214 WeakPolarHBondContact O-CD2 3.2Å; L212-F214 PolarHBondContact O-N 3.46Å; F214-T216 PolarHBondContact O-N 3.32Å; F214-T216 VanDerWaalsContact O-N 3.16Å
215N56.8Low58.2Low153 Ų15397 Ų9782%0.81853%0.533SS*.  trans-75.6102.9176.2-64.411.3000109G213G213-N215 PolarHBondContact O-N 2.83Å
216T44.2Very low55.5Low78 Ų78102.1 Ų102.148%0.47957%0.569SS.*  trans-76.1135.6169.642.90000110.4V64 F214 V218V64-T216 HydrophobicContact CG1-CG2 3.91Å; V64-T216 HydrophobicContact CG2-CG2 4.25Å; F214-T216 PolarHBondContact O-N 3.32Å; F214-T216 VanDerWaalsContact O-N 3.16Å; T216-V218 PolarHBondContact O-N 2.93Å
217P35.5Very low53Low132 Ų132101.6 Ų101.686%0.85758%0.582SS**  trans-75.277.1168.132-33.2000109
218V34.4Very low50.1Low114 Ų114106.1 Ų106.169%0.69161%0.613SS**  trans-66.9135.5171.5-178.50000108.7T216T216-V218 PolarHBondContact O-N 2.93Å
219T35.1Very low47.4Very low125 Ų125112.6 Ų112.677%0.76765%0.653SS**  trans-49.2153.117944.40000113.6G221T219-G221 VanDerWaalsContact C-N 3.32Å; T219-G221 PolarHBondContact O-N 2.83Å
220E34.4Very low44.8Very low207 Ų207115.7 Ų115.797%0.96767%0.673SS**  trans-6277.4-170.5-68.5-167.1102.600115.4
221G30.4Very low42.1Very low68 Ų68118.9 Ų118.970%0.70170%0.696SS**  trans-91.294.116700000111.2T219 R223T219-G221 VanDerWaalsContact C-N 3.32Å; T219-G221 PolarHBondContact O-N 2.83Å; G221-R223 PolarHBondContact O-N 2.71Å
222K36Very low39.4Very low204 Ų204120.2 Ų120.289%0.88771%0.705SS**  trans-52.1105.2178.9-77.1179.8177.8171.60112.9
223R31.7Very low37.1Very low243 Ų243124.5 Ų124.592%0.91773%0.734SS**  trans-138.3124.5154.9-70.9-166.9177.9176.61.7110.6G221G221-R223 PolarHBondContact O-N 2.71Å
224H30.6Very low35.1Very low189 Ų189132 Ų13288%0.87576%0.764SS**  trans-74.4131.1170.9-63.3-93.2000109.9
225C27.8Very low32.8Very low127 Ų127134.7 Ų134.786%0.85879%0.79SS**  trans-150112.7153-111.10000110
226S27.7Very low31.5Very low116 Ų116133.2 Ų133.281%0.81179%0.79SS**  trans3.5119.7166.4-51.60000119.1S228S226-S228 PolarHBondContact O-N 2.8Å
227A31.5Very low30.7Very low103 Ų103135 Ų13585%0.85181%0.806SS**  trans-65.8124.7166.900000111.5
228S27.4Very low30.3Very low104 Ų104138.3 Ų138.373%0.72781%0.807SS**  trans-124.561.6168.867.70000110.9S226 V230S226-S228 PolarHBondContact O-N 2.8Å; S228-V230 PolarHBondContact O-N 3.16Å
229V30.8Very low30Very low137 Ų137139.2 Ų139.283%0.8381%0.812SS**  trans-69.695.7165.6178.40000107.6
230V30.3Very low29.6Very low110 Ų110142.6 Ų142.667%0.66782%0.817SS**  trans-117.785.2173.8-173.40000109.2S228 S232S228-V230 PolarHBondContact O-N 3.16Å; V230-S232 PolarHBondContact O-N 2.77Å
231S29.2Very low29.5Very low102 Ų102141.1 Ų141.171%0.71381%0.81SS**  trans-62.8118.815352.10000108.6P233S231-P233 WeakPolarHBondContact O-CD 3.28Å
232S24.3Very low29.3Very low108 Ų108147.8 Ų147.876%0.75582%0.819SS**  trans-97.399.1-175.8-64.40000113V230V230-S232 PolarHBondContact O-N 2.77Å
233P32.1Very low28.9Very low115 Ų115144.1 Ų144.175%0.74781%0.809SS**  trans-76.1149.6157.233.7-34.2000110.3S231S231-P233 WeakPolarHBondContact O-CD 3.28Å
234M32.4Very low28.7Very low182 Ų182140.4 Ų140.490%0.89781%0.808SS**  trans-72.4143.6173.3-67.5-172.873.200111.8
235S26.6Very low28.5Very low111 Ų111136 Ų13678%0.77680%0.798SS**  trans-143.2129166.6169.10000109.1
236C28.3Very low28.7Very low122 Ų122138.3 Ų138.382%0.82480%0.801SS**  trans-101.6108.4-178.4-67.90000110.9
237S27.6Very low28.6Very low115 Ų115136.3 Ų136.380%0.80480%0.799SS**  trans-105.6110.6171.748.60000111.6
238K28.6Very low28.5Very low202 Ų202137.1 Ų137.188%0.87880%0.798SS**  trans-73.3146.3160.2-65173.8177.3175.20108.6
239V27.9Very low29.4Very low133 Ų133137.7 Ų137.781%0.80680%0.8SS**  -174.5122.9126.7141.20000112.9
240K26.5Very low29.2Very low197 Ų197137.3 Ų137.386%0.85780%0.797SS**  trans38.9144.9149.2-59.6-176.1174-179.40123.6
241Q31.3Very low29.2Very low175 Ų175139.5 Ų139.582%0.81880%0.802SS**  trans-68.4163168.9-53.3145.7-70.900113.2
242K26.4Very low29Very low209 Ų209142.6 Ų142.691%0.90981%0.81SS**  trans-143141.3135.9-158.6173.5-176.9-177.30109.9
243N27.3Very low29.1Very low126 Ų126143.4 Ų143.467%0.67481%0.807SS**  trans-85.1157.7-175.7-56-14.5000111.7
244N28Very low28.8Very low165 Ų165143.3 Ų143.388%0.88281%0.809SS**  -158.9174.4116.7-98-2.4000110.4
245S27.7Very low28.6Very low97 Ų97142.2 Ų142.268%0.67880%0.801SS**  trans-137-174.4-14553.90000114.5
246L30.7Very low28.7Very low176 Ų176143.7 Ų143.792%0.92180%0.796SS**  trans86.4125.6174.6-51.6169.6000114.6
247G26.8Very low28.7Very low74 Ų74143.7 Ų143.776%0.76379%0.787SS**  cis-171.2164.2-5.100000114.5
248S29.3Very low28.5Very low120 Ų120147.4 Ų147.484%0.83979%0.789SS**  trans-100.1164.8171.4-46.60000110.5
249P44.6Very low28.4Very low116 Ų116142.7 Ų142.775%0.75378%0.781SS**  -142.3144.4112.834.5-20.2000116.2
250V28.3Very low29Very low129 Ų129141.6 Ų141.678%0.78278%0.777SS**  59.8102.3127-179.80000117.1
251M29.3Very low29Very low156 Ų156136 Ų13677%0.76877%0.767SS**  85.1133.467.1-79.6-78.7-164.200115.1
252N25.4Very low28.7Very low166 Ų166133.6 Ų133.689%0.88876%0.76SS**  trans-156.3155.3139.2-132.3-15.7000111.8
253N26.6Very low28.7Very low126 Ų126133 Ų13367%0.67475%0.754SS**  trans-114.9146.8-165.1-62.1-27.8000114.4
254S26Very low28.5Very low113 Ų113135 Ų13579%0.7976%0.764SS**  176.4134.4125.554.60000109.2
255E28.5Very low28.3Very low158 Ų158131.7 Ų131.774%0.73875%0.752SS**  64.113358.9-77.5-170.1-135.900113.3
256Q28.4Very low28.2Very low142 Ų142137.1 Ų137.166%0.66476%0.763SS**  cis-157.8152.821.1-121.1168.940.300112.7
257L26.8Very low27.9Very low123 Ų123135.8 Ų135.864%0.64475%0.754SS**  trans59.6154.2147.1-64.1164.1000119.8
258F25.2Very low27.7Very low192 Ų192143 Ų14384%0.84276%0.758SS**  cis-128.5160.420.5-84-96.3000115.6
259S25.7Very low28.2Very low103 Ų103141.9 Ų141.972%0.7275%0.749SS**  trans-136.3-171.4160.7-133.20000106.1
260P40.3Very low27.3Very low111 Ų111143.6 Ų143.672%0.72175%0.752SS**  cis-143.6-166.716.841.5-19.5000116.2
261A26.2Very low27.1Very low78 Ų78142.2 Ų142.265%0.64574%0.743SS**  trans73.3148.9138.800000121
262D25.8Very low26.8Very low125 Ų125145.7 Ų145.767%0.66875%0.748SS**  cis-161.6177.4-16.5-109.2-9.5000113.1
263Y25.6Very low26.7Very low196 Ų196143.1 Ų143.177%0.76974%0.738SS**  trans-21.5153.1169-44.8-73.1000118.3
264L23.5Very low26.6Very low170 Ų170146.8 Ų146.889%0.8975%0.748SS**  -168.6158.168.4-167.463.6000114.7
265C24.7Very low26.5Very low94 Ų94146.2 Ų146.264%0.63574%0.744SS**  trans-75.3149.8178.1177.40000114.6
266K25.3Very low27.4Very low211 Ų211143.1 Ų143.192%0.91774%0.738SS**  trans-147155.6149.7-114.2168.8-172.6174.20112.4
267M23.3Very low27.2Very low148 Ų148145 Ų14573%0.72975%0.746SS**  trans-111.4128-159.9-98.6-80.8148.100114.3
268R22.6Very low27.5Very low225 Ų225148.4 Ų148.485%0.84976%0.756SS**  trans57.5177.3144.6-93.1-173.5166.7-172.3-2.3118.3
269P40Very low27.6Very low98 Ų98146.7 Ų146.764%0.63676%0.755SS**  cis-127.9165.8-4035.2-21.9000112.5
270N25.3Very low27.8Very low152 Ų152146 Ų14681%0.81376%0.756SS**  trans-154.6111.6138.5-117.2-41.9000114.1
271T23.8Very low27.4Very low99 Ų99149 Ų14961%0.60776%0.757SS**  3.6140.9129.56.30000117.8
272R24.6Very low27.3Very low230 Ų230152 Ų15287%0.86876%0.762SS**  cis-139.6152.814.9-70.3171.8-173.1175.31.7109.1
273V23.5Very low27.4Very low111 Ų111154.6 Ų154.667%0.67378%0.775SS**  cis89.6123.534.8172.90000114.5
274F23.5Very low27.7Very low203 Ų203151.3 Ų151.389%0.8978%0.776SS**  trans81.7145.7170.8-74.3-54.9000122.8
275S23.8Very low28.5Very low101 Ų101148.3 Ų148.371%0.70677%0.766SS**  trans-122-162171.656.30000107.7
276P47.6Very low28.6Very low94 Ų94151.4 Ų151.461%0.6178%0.777SS**  -100.5-171.7-6639.2-27.5000110.3
277H24.8Very low28.7Very low182 Ų182148.9 Ų148.984%0.84377%0.772SS**  179.5171.2128.3-95.5-51.7000114
278K32.3Very low29Very low194 Ų194150.7 Ų150.784%0.84378%0.784SS**  trans-64.2151-173.3-57.9170.3175.7178.60113.3
279L28.1Very low29.3Very low155 Ų155151.2 Ų151.281%0.81279%0.786SS**  trans-149.4109.3138.4-129.7169.4000111.1K281L279-K281 HydrophobicContact CD2-CD 4.28Å; L279-K281 HydrophobicContact CD2-CG 3.93Å
280A29.6Very low28.7Very low90 Ų90151.9 Ų151.974%0.74479%0.793SS**  trans-115.2127.6167.700000108
281K31.1Very low28.7Very low173 Ų173150.7 Ų150.775%0.75280%0.797SS**  trans-147.3102.4168.9-76.3-164.8178-176.50111.7L279L279-K281 HydrophobicContact CD2-CD 4.28Å; L279-K281 HydrophobicContact CD2-CG 3.93Å
282N25.2Very low29.2Very low141 Ų141157.3 Ų157.375%0.75481%0.81SS**  42.9107.6128.3-48.2-3000118.6
283L27Very low29.4Very low179 Ų179155.3 Ų155.394%0.93781%0.808SS**  trans-135.8133.5134.9-78.1-179.1000109.1
284T31.7Very low29.5Very low128 Ų128161 Ų16179%0.78582%0.817SS**  trans-154.3153.4177.5-9.70000108.3
285P41.3Very low29.8Very low106 Ų106159.7 Ų159.769%0.68881%0.812SS**  -116.7159.2-7237.2-29.5000111.1
286N27.2Very low29.9Very low159 Ų159163.4 Ų163.485%0.8582%0.818SS**  trans-169161.7157.1-105.1-49.1000111.7
287L27.4Very low29.1Very low158 Ų158165.5 Ų165.583%0.82783%0.829SS**  trans72.661.8171.2-52.9-178.4000119.1
288L29.5Very low29.2Very low187 Ų187165.7 Ų165.798%0.97983%0.833SS**  trans-12563.2142.3-87-178.9000111.4
289R28.7Very low28.9Very low235 Ų235161.7 Ų161.789%0.88783%0.829SS**  trans-154.170.7170.3-157.8-179.6-162.4-178.56.8114
290S25.8Very low29.1Very low113 Ų113160.3 Ų160.379%0.7983%0.83SS**  trans174.9100.2143.737.80000114
291S27.1Very low29Very low126 Ų126159.5 Ų159.588%0.88183%0.83SS**SBendtrans-127.727.4156.6560000112
292R33.8Very low28.8Very low238 Ų238156.5 Ų156.590%0.89883%0.831SS**  trans-127.8110.3164.1-67.4-168.3-177.5-149.10.1109.8
293K29.1Very low28.9Very low189 Ų189155.2 Ų155.282%0.82283%0.828SS**  trans-114.898.6157.5-79.5-167.7178.6-175.20108.2
294R25.6Very low29Very low229 Ų229151.8 Ų151.886%0.86482%0.815SS**  trans-97.5132148.2178.2172.9-77.5-176.5-4.7105.3
295F28.5Very low28.8Very low177 Ų177152.3 Ų152.378%0.77681%0.813SS**  trans-79.2131.4176.5-81-98.8000109.6
296E26.6Very low28.4Very low178 Ų178153.2 Ų153.283%0.83282%0.817SS**  trans-128.1138156.8-71.6-180-179.400107
297T30.8Very low28.5Very low138 Ų138154.8 Ų154.885%0.84782%0.819SS**  trans-125.2136.4173.342.20000108.5
298M26.8Very low28.4Very low186 Ų186150.6 Ų150.692%0.91681%0.814SS**PPolyproline II helixtrans-63.1147-161.3-67.2-66.2-173.900114.5
299S27Very low28.2Very low111 Ų111145.3 Ų145.378%0.77680%0.804SS**PPolyproline II helixtrans-75.5134.9161.5177.10000110.9
300P32Very low28.1Very low126 Ų126140.5 Ų140.582%0.81880%0.801SS**PPolyproline II helixtrans-98.6120.7156.533.8-24.3000109.7
301G26.8Very low28.2Very low72 Ų72140.5 Ų140.574%0.74280%0.801SS**  trans-121.8131.9175.300000112.3
302S27.2Very low28.9Very low111 Ų111139.5 Ų139.578%0.77679%0.791SS**  trans-165.3162.9149.8-148.10000113
303T27.7Very low28.4Very low114 Ų114134.2 Ų134.270%0.69978%0.78SS**  trans63.2116.9156.850.40000121.9
304T29.5Very low28.4Very low107 Ų107135 Ų13566%0.65678%0.778SS**  77.4111.7128.858.70000122.5
305D27.6Very low28.4Very low139 Ų139131.3 Ų131.374%0.74377%0.771SS**  79.6108.9113.1-56.3-5.6000123
306T31.6Very low28.2Very low125 Ų125127.3 Ų127.377%0.76776%0.764SS**  trans64.1141.5134.2-0.10000124.4
307E29Very low28.1Very low192 Ų192125.9 Ų125.990%0.89776%0.757SS**  trans64.3164.6158.1-55.1-153.5140.800120
308G25.8Very low27.8Very low70 Ų70126 Ų12672%0.72275%0.746SS**  144.3-31.9126.900000120.9
309G24.7Very low27.7Very low76 Ų76124.3 Ų124.378%0.78474%0.736SS**  trans56.5-161.6172.700000118.4
310V26.5Very low27.7Very low134 Ų134125.2 Ų125.281%0.81273%0.732SS**  trans60.298.7166-171.40000118.2
311S28.5Very low27.5Very low113 Ų113125.9 Ų125.979%0.7972%0.724SS**  trans-65.8154.1150.6-44.20000110.4
312P41Very low27.5Very low105 Ų105131.2 Ų131.268%0.68273%0.73SS**  -151.5-170.110245.2-27.8000112.3
313L24.3Very low27.4Very low127 Ų127129.2 Ų129.267%0.66573%0.726SS**  cis-163.2145.67-157.832.7000112.5
314W29.1Very low27.4Very low204 Ų204129 Ų12977%0.77373%0.73SS**  trans52.4159.2153-70153.9000120.6
315E25.2Very low27.3Very low153 Ų153135.8 Ų135.872%0.71574%0.743SS**  cis-163.7162-4.5-113171.4-84.100106.7
316C25.2Very low27.3Very low92 Ų92133 Ų13362%0.62275%0.747SS**  cis-163.3166.2-19-143.50000109.8
317E23.3Very low27Very low149 Ų149133.9 Ų133.970%0.69676%0.757SS**  trans62.1150.5164.3-66.8-176.4178.700117.9
318K25.6Very low26.9Very low140 Ų140128.3 Ų128.361%0.60975%0.75SS**  cis-155166.310.8-129.2157-174.8141.40111.6
319E24.7Very low27.1Very low151 Ų151132 Ų13271%0.70676%0.759SS**  trans13.5142.7145.5-66.4156.4-170.300120.4
320N27Very low27.3Very low129 Ų129132.9 Ų132.969%0.6975%0.753SS**  cis-160.5160.43.2-128.30.5000114.2
321E27.3Very low27.4Very low141 Ų141131.9 Ų131.966%0.65975%0.747SS**  trans21132149.5-68.9-178.8152.300121.9
322Q27.4Very low27.4Very low184 Ų184135 Ų13586%0.8675%0.746SS**  58.2147.373.2-58.3-179.351.600114.4
323G25.3Very low27Very low68 Ų68137 Ų13770%0.70175%0.751SS**  cis155149.8-5.700000112.5
324S26.2Very low27.3Very low111 Ų111135.1 Ų135.178%0.77675%0.754SS**  trans65.9129.1164.5-69.40000122.2
325R28.6Very low28.3Very low249 Ų249130.7 Ų130.794%0.9475%0.752SS**  trans56.9126.6136.8-59.6175.7-177.4-173.81120.9
326G26.5Very low28.6Very low80 Ų80130.8 Ų130.883%0.82576%0.757SS**  trans-171133.6156.200000113
327C26.5Very low28.8Very low144 Ų144133.8 Ų133.897%0.97377%0.767SS**  trans-95.7146.4168.5-680000110.1
328G26.4Very low30Very low74 Ų74131.5 Ų131.576%0.76376%0.764SS**  trans-158148.5175.100000111.2
329V30.2Very low30.2Very low149 Ų149133.1 Ų133.190%0.90377%0.771SS**  trans-132.9152.5-173.1177.30000109.7
330S27.8Very low30.5Very low93 Ų93135.2 Ų135.265%0.6578%0.778SS**  trans111.1112.6149.2-148.80000118.8
331T28.8Very low30.5Very low113 Ų113134 Ų13469%0.69378%0.78SS**  trans66.2135.3131.952.60000123.6
332K30Very low30.6Very low178 Ų178132.5 Ų132.577%0.77479%0.785SS**  trans75.9150.8143.6-74.2176.6179.5-172.90117.6
333D30.7Very low30.7Very low147 Ų147128.9 Ų128.979%0.78678%0.78SS**  cis-140.5172.40.5-104.1-39.6000111.1
334A31.1Very low31.9Very low88 Ų88130.6 Ų130.673%0.72778%0.779SS**  trans-107.1169.9167.700000110.2
335P50.6Low32.2Very low111 Ų111132.8 Ų132.872%0.72178%0.78SS**  -159.9-168.480.641.2-18.8000117.4
336N30.7Very low32.2Very low155 Ų155132.8 Ų132.883%0.82978%0.78SS**  trans93.7100153.8-64.9-18.6000121.5
337L31.1Very low32.4Very low156 Ų156138.3 Ų138.382%0.81778%0.781SS**  trans-87.2163.5155.5-122.2159.6000109.5
338P47.4Very low32.5Very low100 Ų100143.2 Ų143.265%0.64978%0.779SS**  -160.1150.597.538.3-17.9000120.2
339K30.6Very low32.8Very low174 Ų174148.3 Ų148.376%0.75778%0.783SS**  trans71.9119.1143.9-66.3161.3-168.2170.10119.3
340K30.5Very low33.7Very low196 Ų196146.2 Ų146.285%0.85277%0.773SS**  70141.394.6-67.1-175.9178.3-170.40114.8
341S27.7Very low33.8Very low104 Ų104149 Ų14973%0.72778%0.78SS**  cis-164.1-167.5-13.348.40000107.5
342S28.3Very low33.8Very low109 Ų109148.7 Ų148.776%0.76278%0.782SS**  cis-163-171.724.7-41.50000112
343S29.9Very low33.8Very low108 Ų108144.4 Ų144.476%0.75578%0.78SS**  trans-107.3-171.8169.3610000111.1
344P49.5Very low33.7Very low104 Ų104143.4 Ų143.468%0.67578%0.779SS**  cis-148.6169.89.244.1-23.2000120.7
345I32.4Very low33.8Very low156 Ų156148.3 Ų148.380%0.878%0.778SS**  trans34.9126.1138.4-52.7160.3000122.4
346R29.9Very low32.8Very low249 Ų249151.5 Ų151.594%0.9478%0.776SS**  -168.9174.6123.4-110.8179.8-179.1-1771.1116.6
347K31Very low32.7Very low196 Ų196150.7 Ų150.785%0.85277%0.767SS**  trans-116.5151.8-169-52.6172.2177.71800112.9
348R28.6Very low32.7Very low248 Ų248149 Ų14994%0.93676%0.758SS**  162.5159121.7-92.2-179.3170.4-180-3115.6
349Q31.2Very low31.8Very low181 Ų181152 Ų15285%0.84676%0.764SS**  trans-89.6-168164.8-59.8-179.4-39.600110
350P50.3Low31.7Very low105 Ų105148.3 Ų148.368%0.68276%0.759SS**  cis-144.1-153.2737.9-12000116.2
351L28.6Very low31.6Very low152 Ų152145.1 Ų145.180%0.79675%0.748SS**  trans88.8127.4169.2-54.4-179.1000115.4
352S29.8Very low31.6Very low105 Ų105149.8 Ų149.873%0.73475%0.749SS**  cis92138.745.887.10000113
353A29.5Very low31.6Very low89 Ų89151.3 Ų151.374%0.73675%0.749SS**  cis-172-177.5-11.100000111.7
354V29.6Very low31.5Very low125 Ų125152.8 Ų152.876%0.75875%0.748SS**  trans81.2104.8151.3173.40000121.9
355R32.2Very low30.5Very low191 Ų191153.4 Ų153.472%0.72176%0.755SS**  62.4125129.5-69.7-176.1171.1167.7-2125.6
356R30.2Very low30.3Very low179 Ų179154.7 Ų154.768%0.67576%0.758SS**  trans70.5160.6133.4-63.5-168.7-149.3149.2-11.7118.3
357H29.5Very low30.7Very low138 Ų138148.1 Ų148.164%0.63975%0.747SS**  cis-154.2146.88.1-129.5-45.8000113.2
358L30.8Very low30.5Very low120 Ų120145 Ų14563%0.62875%0.745SS**  trans63.6134.9137.1-128.870.9000124.9
359E28.4Very low30.7Very low164 Ų164139.7 Ų139.777%0.76674%0.74SS**  trans63.1152.6141-90.1156.8-137.300122.1
360S27.4Very low30.9Very low95 Ų95136.4 Ų136.466%0.66473%0.734SS**  cis-161.9-177.7-5.3-158.30000112.9
361E28Very low29.9Very low130 Ų130135.9 Ų135.961%0.60773%0.733SS**  trans66.8130167.4-57.5-71.77300117.2
362R29.6Very low30.2Very low201 Ų201134.1 Ų134.176%0.75873%0.733SS**  67.2141.473.1-76.9-170.4-80-157.1-0.2114.3
363D26.6Very low30.4Very low142 Ų142136 Ų13676%0.75974%0.74SS**  cis-151-166.328-158.5-3.5000114.6
364N28.2Very low30.7Very low139 Ų139141.3 Ų141.374%0.74375%0.746SS**  trans-60.4151.4-173.7-84.4-79.5000118.7
365S28.1Very low31.1Very low117 Ų117145.8 Ų145.882%0.81875%0.75SS**  175.6153.9108.542.90000113.8
366Q29.3Very low31.6Very low182 Ų182142.3 Ų142.385%0.8575%0.75SS**  trans-100.3165164.5-65.6-173.5-19.800109.8
367P37.6Very low31.8Very low111 Ų111143.7 Ų143.772%0.72176%0.761SS**  -152.2156.6100.839.2-22.5000118
368T27.1Very low32.4Very low132 Ų132141.7 Ų141.781%0.8176%0.762SS**  trans64.1141.1144.550.70000123.1
369V33.1Very low33.1Very low135 Ų135141 Ų14182%0.81876%0.759SS**  trans-104.6163.5168.3-150.90000109.1
370P34.9Very low33.3Very low112 Ų112141.4 Ų141.473%0.72776%0.763SS**  -149.6169.2105.938.7-22.7000117.5
371S30.5Very low33.6Very low95 Ų95145 Ų14566%0.66478%0.776SS**  trans56.889.1149.5610000121.8
372S34.2Very low34Very low114 Ų114150.6 Ų150.680%0.79779%0.791SS**  34.9111.9117.662.20000121.6
373V34.3Very low34.1Very low144 Ų144146.1 Ų146.187%0.87379%0.791SS**  trans-137.8146.5145.8-177.30000108.9
374K35Very low34.6Very low201 Ų201144.9 Ų144.987%0.87479%0.79SS**PPolyproline II helixtrans-70.8139.5175.7-68.6174.7177.31740110.9
375R37.3Very low34.8Very low219 Ų219146.3 Ų146.383%0.82679%0.792SS**PPolyproline II helixtrans-87.1148.4165.5-75.1-171.4179.8157.31.1111.7
376T42.8Very low35.1Very low118 Ų118147 Ų14772%0.72479%0.786SS**PPolyproline II helixtrans-89.7170.8177.1-200000111.1S378T376-S378 PolarHBondContact O-N 3.21Å
377F35.5Very low35.4Very low209 Ų209145.1 Ų145.192%0.91778%0.781SS**THydrogen-bonded Turntrans-68-2.8-170.3-172.1-109.4000116
378S42.5Very low35.1Very low95 Ų95147.3 Ų147.366%0.66478%0.782SS**THydrogen-bonded Turntrans-80.3-24.1-175490000115.4T376 M380T376-S378 PolarHBondContact O-N 3.21Å; S378-M380 PolarHBondContact O-N 3.07Å
379D44.1Very low35.6Very low105 Ų105147 Ų14756%0.56178%0.78SS**SBendtrans-103.926.8-157.6-62.22.3000114.2
380M34Very low35.5Very low173 Ų173151 Ų15185%0.85278%0.781SS**  trans-130.976.3179-80.7-173.46000112.9S378S378-M380 PolarHBondContact O-N 3.07Å
381N33.6Very low35.4Very low172 Ų172150.5 Ų150.592%0.9279%0.785SS**  trans-164.179153-104-32.6000113.1
382R35.8Very low35.6Very low246 Ų246156.1 Ų156.193%0.92880%0.798SS**  trans-155.8106156.1-152.5172-168.8167.64.1111.3
383S31.3Very low35.8Very low108 Ų108160.4 Ų160.476%0.75580%0.802SS**  trans-91.8146.9170.6-171.40000110.5
384P37.5Very low36Very low115 Ų115160 Ų16075%0.74780%0.8SS**  trans-124.7137.7146.134.9-24.1000111.9
385E32.8Very low36.3Very low170 Ų170158 Ų15879%0.79480%0.799SS**  trans-69.3176.1161.2-58.1-177101.500109.7
386L33.9Very low36.6Very low130 Ų130151.8 Ų151.868%0.68179%0.794SS**  cis-164.8150.530.6-161.1126000111.5
387L35.1Very low36.5Very low144 Ų144155 Ų15575%0.75480%0.801SS**  trans30.5125.9167.2-64.6175.3000121.7
388E31.1Very low36.3Very low156 Ų156154.5 Ų154.573%0.72979%0.794SS**  -155.3145.4112.8-136.2-171.9-122.200111.8R390E388-R390 IonicContact OE2-CZ 3.83Å; E388-R390 IonicContact OE2-NE 3.66Å; E388-R390 IonicContact OE2-NH2 3.13Å; E388-R390 PolarHBondContact OE2-NH2 2.98Å; E388-R390 VanDerWaalsContact OE2-NH2 3.13Å
389T38.4Very low36Very low126 Ų126160.8 Ų160.877%0.77380%0.804SS**  trans-101.5123.7-174.342.60000113
390R31.7Very low35.7Very low220 Ų220166.6 Ų166.683%0.8382%0.818SS**  trans-138.2146163.4-65.2-168.7-172.1-171.14.5112.6E388E388-R390 IonicContact OE2-CZ 3.83Å; E388-R390 IonicContact OE2-NE 3.66Å; E388-R390 IonicContact OE2-NH2 3.13Å; E388-R390 PolarHBondContact OE2-NH2 2.98Å; E388-R390 VanDerWaalsContact OE2-NH2 3.13Å
391A32.5Very low35.6Very low100 Ų100167 Ų16783%0.82682%0.815SS**PPolyproline II helixtrans-76.9148-167.300000114K393A391-K393 PolarHBondContact O-N 3.11Å
392K34.3Very low35.5Very low214 Ų214168.5 Ų168.593%0.9381%0.814SS**PPolyproline II helixtrans-73.7121.8174.4-67-179.6179176.60110.6
393K38.8Very low35.3Very low204 Ų204165.9 Ų165.989%0.88781%0.812SS**PPolyproline II helixtrans-80.5160.5166.5-74.1-174.3175.1-177.30111.2A391A391-K393 PolarHBondContact O-N 3.11Å
394T39.1Very low35.5Very low136 Ų136168.5 Ų168.583%0.83482%0.816SS**PPolyproline II helixtrans-74.9147.9-17837.80000113.1A396T394-A396 VanDerWaalsContact C-N 3.28Å; T394-A396 PolarHBondContact O-N 2.87Å
395N39.9Very low35.4Very low159 Ų159168.8 Ų168.885%0.8582%0.818SS**SBendtrans-8654.7-167.6-163.221.6000113.1
396A43.5Very low35.5Very low87 Ų87168.5 Ų168.572%0.71982%0.822SS**  trans-91.4-19-172.600000114.7T394T394-A396 VanDerWaalsContact C-N 3.28Å; T394-A396 PolarHBondContact O-N 2.87Å
397E41.3Very low35.4Very low187 Ų187169.4 Ų169.487%0.87483%0.833SS**  trans-132.488.5-170.8-66.3-175.5149.700111.8
398Y31.3Very low35.4Very low197 Ų197167 Ų16777%0.77383%0.834SS**  trans-147.195.7163.5-156.7-90.5000111.4
399R37Very low35.4Very low227 Ų227167.4 Ų167.486%0.85784%0.84SS**PPolyproline II helixtrans-80.2132.8169.2-71.5-168.8176.8-147.10.9109.6
400R37.3Very low35.1Very low228 Ų228166 Ų16686%0.8684%0.835SS**PPolyproline II helixtrans-83.7146.6164.3-67.9-176.1179.9176.50.3109.4
401F31.4Very low35.2Very low180 Ų180164.4 Ų164.479%0.78984%0.837SS**PPolyproline II helixtrans-95.7157.8171.1-79.1-106.7000110.2
402F31.9Very low35.4Very low204 Ų204166.7 Ų166.790%0.89584%0.841SS**  trans76.1136.8179.3-65.3-84.8000117.8
403E32.2Very low35.6Very low191 Ų191160 Ų16089%0.89383%0.832SS**  trans-112.9158.4177.5-61.7172.6126.500109.5
404I35.1Very low35.3Very low164 Ų164158.5 Ų158.584%0.84183%0.833SS**  trans-137.6140.4168.6-63-178.1000107.5
405P34.8Very low35.1Very low121 Ų121159 Ų15979%0.78684%0.836SS**  trans-92.5154.6-161.5-3.624.4000114.9
406D34.8Very low34.8Very low163 Ų163155 Ų15587%0.87283%0.833SS**  trans-74.6133.1171.4-70.7-58.1000113
407T32Very low34.2Very low150 Ų150156.7 Ų156.792%0.9283%0.834SS**  trans-144142.8149.534.90000109.1
408A34Very low33.6Very low94 Ų94157.9 Ų157.978%0.77784%0.837SS**  trans-106.7152.9-169.700000112.9
409L32Very low33.6Very low164 Ų164153.6 Ų153.686%0.85984%0.836SS**  trans-158.4125.7141.1-13474.2000114
410S33.2Very low33.3Very low95 Ų95148.9 Ų148.966%0.66483%0.832SS**  trans33.3104.414859.80000122
411H33.9Very low32.9Very low187 Ų187145.2 Ų145.287%0.86683%0.828SS**  trans-5.8140.6144.7-50.1-81.8000121.2
412T35.3Very low32.8Very low149 Ų149144.9 Ų144.991%0.91483%0.829SS**  -126.7160.7121.4490000109.4
413G38.3Very low32.6Very low73 Ų73143.5 Ų143.575%0.75383%0.829SS**  trans-96.9-165.6-15700000118.1
414L32.3Very low32.4Very low173 Ų173137.5 Ų137.591%0.90682%0.818SS**  trans85.356.4178.9-55.8176.3000118.5
415T36.7Very low32.2Very low146 Ų146136.6 Ų136.690%0.89682%0.816SS**  -171.1132.3109.518.70000110.7
416G31.7Very low31.8Very low75 Ų75141.1 Ų141.177%0.77382%0.823SS**  trans-85.8122.4-175.900000112.8
417T31.1Very low31.5Very low122 Ų122140 Ų14075%0.74882%0.816SS**  trans-83.4145.8160.249.50000109.9
418F29.9Very low31.3Very low213 Ų213138.6 Ų138.693%0.93481%0.808SS**  trans-125.894.8159.8-82.2-70.7000109.2
419S30.3Very low31Very low107 Ų107140.4 Ų140.475%0.74881%0.809SS**  trans-81.6128.1169.3-820000110.8
420T32.1Very low30.8Very low127 Ų127139.2 Ų139.278%0.77981%0.809SS**  trans10.3120.2137.4-28.20000118.4
421I28.3Very low30.5Very low152 Ų152138.3 Ų138.378%0.77982%0.815SS**  trans176.2138149.2-96.3150.1000105.4
422Q28.1Very low30.3Very low173 Ų173136.9 Ų136.981%0.80881%0.814SS**  cis-147.4159.7-12.3-113.4166.9-17.800107
423I28.1Very low29.9Very low174 Ų174138.2 Ų138.289%0.89281%0.811SS**  trans-122.3117.7156.3-64.6179.7000106.6
424G28.1Very low29.4Very low65 Ų65139.1 Ų139.167%0.6781%0.812SS**  trans-115.4148.5168.300000109.3
425D31.4Very low29.2Very low146 Ų146134.8 Ų134.878%0.78180%0.801SS**  trans-63.4150.9-170.4-50-77.5000114
426F26Very low28.8Very low216 Ų216134.6 Ų134.695%0.94780%0.795SS**  trans-148.3141.2140.4-112.6-75.8000111.6
427L29.7Very low28.5Very low138 Ų138139.2 Ų139.272%0.72380%0.796SS**  trans-90.6158.3-179.2-98.382.6000112.6
428T27.2Very low28.2Very low122 Ų122145.1 Ų145.175%0.74880%0.804SS**  trans55.9126.9151.250.80000119.5
429T28.2Very low27.9Very low132 Ų132141.2 Ų141.281%0.8179%0.794SS**  -177.4156.3103.5-74.70000111
430T27.6Very low28.4Very low139 Ų139141 Ų14185%0.85379%0.789SS**  trans-72.9144.1176.548.90000113.6
431G26.7Very low28.1Very low76 Ų76146.8 Ų146.878%0.78480%0.797SS**  trans-157.6144.8171.300000113.5
432N28.5Very low28Very low157 Ų157151.3 Ų151.384%0.8480%0.804SS**  trans-103.2-175.4175.1-93.2-23.3000110.9
433M27.5Very low27.9Very low176 Ų176148.8 Ų148.887%0.86781%0.806SS**  trans86.4128.4-179.8-47.5-52.5179.400113
434A27.8Very low27.9Very low92 Ų92145.7 Ų145.776%0.7680%0.799SS**  cis77.9132.54400000112.4
435A27.9Very low28.1Very low83 Ų83148.4 Ų148.469%0.68681%0.805SS**  cis-160.8-175.6-6.300000111.8
436D27.9Very low28Very low141 Ų141148.7 Ų148.775%0.75481%0.805SS**  trans75.6123.3151-59.2-24.4000124.1
437H25.9Very low28.3Very low172 Ų172144 Ų14480%0.79680%0.796SS**  trans44.8115.8137.6-74.9-84.4000122.7
438W24.2Very low28.3Very low246 Ų246144 Ų14493%0.93280%0.802SS**  -158.1150.898.8-155-85000112.4
439D25.1Very low28.5Very low132 Ų132144.8 Ų144.871%0.70680%0.795SS**  trans-153.5160.2-179.3-148.95000107.4
440P39.9Very low28.7Very low101 Ų101142 Ų14266%0.65678%0.781SS**  cis-128.9-176.9-13.542.5-28.4000113.4
441R25.3Very low29.4Very low249 Ų249142.7 Ų142.794%0.9478%0.778SS**  trans-161.1153.9133.5-119.3176.6-72.1-153.63.5113.4
442R25.8Very low29.9Very low248 Ų248142.8 Ų142.894%0.93676%0.757SS**  trans-85.4138.8-169.4-60.5176.7177.8-178.2-1.6113.8
443S27.1Very low30.1Very low120 Ų120139.5 Ų139.584%0.83975%0.747SS**  trans-149.9141132.656.70000109.2
444S27.3Very low30.6Very low109 Ų109138.2 Ų138.276%0.76274%0.739SS**PPolyproline II helixtrans-99134-16948.80000112.6
445P32.5Very low30.7Very low122 Ų122140 Ų14079%0.79274%0.735SS**PPolyproline II helixtrans-74.8144.5168.831.8-33.4000111.3
446I30.1Very low31Very low152 Ų152145.1 Ų145.178%0.77974%0.744SS**PPolyproline II helixtrans-78.9132.1-179.3-62.9164.7000109.7V448I446-V448 PolarHBondContact O-N 2.79Å
447P31.7Very low31.3Very low117 Ų117146.3 Ų146.376%0.7675%0.745SS**  trans-77.6110.1174.730.7-32.8000110.9K449P447-K449 PolarHBondContact O-N 2.7Å
448V30Very low31.5Very low139 Ų139143.6 Ų143.684%0.84274%0.743SS**  trans-73.7109.8169.3-178.40000108.6I446I446-V448 PolarHBondContact O-N 2.79Å
449K31Very low31.7Very low137 Ų137136.6 Ų136.660%0.59674%0.738SS**  trans-60.1142.2174.5-77.9-165.2-177.3-1710110.8P447 E454P447-K449 PolarHBondContact O-N 2.7Å; K449-E454 IonicContact NZ-OE1 2.83Å; K449-E454 PolarHBondContact NZ-OE1 3.15Å; K449-E454 IonicContact NZ-OE2 3.48Å; K449-E454 PolarHBondContact NZ-OE2 3.44Å
450S33.8Very low31.9Very low74 Ų74139.8 Ų139.852%0.51775%0.748SS.*  trans-77.7120.6170.1178.20000109.9F452S450-F452 PolarHBondContact O-N 2.88Å
451L41Very low31.4Very low153 Ų153142.4 Ų142.480%0.80176%0.757SS**THydrogen-bonded Turntrans-74.346.1-176-66.2167.2000114.1
452F38.1Very low31.6Very low78 Ų78136.4 Ų136.434%0.34275%0.748SS.*THydrogen-bonded Turntrans-134.218.5175-80.1-73.9000112V29 S450V29-F452 HydrophobicContact CB-CZ 4.46Å; V29-F452 HydrophobicContact CG2-CZ 4.07Å; S450-F452 PolarHBondContact O-N 2.88Å
453S32.4Very low31.7Very low88 Ų88134.9 Ų134.962%0.61575%0.748SS**SBendtrans-145.4144177.6-540000107.7
454E38Very low31.9Very low150 Ų150138 Ų13870%0.70175%0.749SS**  trans69.880.5-162.6-59.6152.2-144.600112.9K449K449-E454 IonicContact NZ-OE1 2.83Å; K449-E454 PolarHBondContact NZ-OE1 3.15Å; K449-E454 IonicContact NZ-OE2 3.48Å; K449-E454 PolarHBondContact NZ-OE2 3.44Å
455L29.8Very low32Very low130 Ų130140.3 Ų140.368%0.68175%0.754SS**  trans-166.683.5149-109.5170.3000109.8E457L455-E457 HydrophobicContact CD2-CG 3.82Å
456E34.5Very low31.6Very low189 Ų189137.3 Ų137.388%0.88375%0.745SS**  trans-114105.1162.3-178.3166.7-129.400104.4
457E32.9Very low31.5Very low166 Ų166135.6 Ų135.678%0.77674%0.742SS**PPolyproline II helixtrans-76128.7-174.9-70-172.6145.100110.1L455L455-E457 HydrophobicContact CD2-CG 3.82Å
458P30Very low31.5Very low115 Ų115139.6 Ų139.675%0.74775%0.747SS**PPolyproline II helixtrans-68.7148.3168.931.3-34000109.6E460P458-E460 PolarHBondContact O-N 3.1Å
459A29.3Very low31.2Very low99 Ų99141.6 Ų141.682%0.81875%0.747SS**PPolyproline II helixtrans-65.2127.9174.400000110.6D461A459-D461 PolarHBondContact O-N 3.27Å
460E29.9Very low31.8Very low200 Ų200140.3 Ų140.394%0.93575%0.753SS**  trans-78.8115.3166.9-70-156.7155.200109.7P458P458-E460 PolarHBondContact O-N 3.1Å
461D28.1Very low31.5Very low155 Ų155142.1 Ų142.183%0.82977%0.765SS**  trans-146.868.2176.7-152.22.1000110.2A459A459-D461 PolarHBondContact O-N 3.27Å
462V30Very low30.8Very low124 Ų124143.4 Ų143.475%0.75277%0.767SS**  trans-140.5107.7172.4-175.80000111.6
463F28Very low30.1Very low215 Ų215144.5 Ų144.594%0.94378%0.783SS**  trans-142.9111.1132-106.1-74.5000109.1
464Q30.9Very low29.7Very low185 Ų185144.8 Ų144.886%0.86479%0.785SS**  trans-100.7137.8169.8-73.2-179-29.300109.7
465D29.1Very low29Very low159 Ų159146.7 Ų146.785%0.8579%0.792SS**  -160.6157.4101-163.1-1.2000108.7
466G24.9Very low28.7Very low59 Ų59146.1 Ų146.161%0.60879%0.794SS**  trans179.6-5.9-171.800000119.4
467T28.7Very low28.4Very low116 Ų116142 Ų14271%0.71279%0.786SS**  trans73.2141.1169.2800000120.8
468K30.7Very low28.8Very low200 Ų200139.9 Ų139.987%0.8779%0.787SS**  trans85.7116.9152-70.4165.9-176.8173.70121.9
469E25.1Very low28.6Very low182 Ų182142 Ų14285%0.8579%0.791SS**  trans-76.5-171.1162.2-59.3-172.6128.500113.1
470P43.3Very low29.4Very low110 Ų110143.2 Ų143.271%0.71479%0.79SS**  -136.8156-52.334.3-18.5000114.7
471S26.8Very low29.2Very low111 Ų111137.5 Ų137.578%0.77679%0.785SS**  trans-171.1111.9150.445.90000110.8
472Q25.7Very low29.2Very low181 Ų181137.6 Ų137.685%0.84679%0.785SS**  78118.896.1-78.2-166.7-7.600117.7
473C23.2Very low29.3Very low101 Ų101137.3 Ų137.368%0.68278%0.784SS**  trans74.2105.2133.8-65.10000122.5
474S24Very low29.3Very low94 Ų94134.2 Ų134.266%0.65778%0.777SS**  74.5130106.3-61.20000122.5
475F24.5Very low29.2Very low190 Ų190131.2 Ų131.283%0.83377%0.771SS**  trans70.6150.4144.8-75.8-134.7000116.1
476T23.9Very low29.2Very low118 Ų118129.2 Ų129.272%0.72477%0.768SS**  cis-154176.9-11.68.20000110.4
477S26.3Very low29.4Very low103 Ų103137.4 Ų137.472%0.7278%0.781SS**  trans-63.6176.416255.30000112.3
478P41.4Very low29.3Very low121 Ų121137 Ų13779%0.78678%0.783SS**  cis-147.9-174.123.842.8-20.1000119.6
479L25.7Very low29.2Very low159 Ų159134.5 Ų134.583%0.83278%0.778SS**  trans-66.6-179.1157.4-95.176.9000112.1
480P46.7Very low29.5Very low125 Ų125130.9 Ų130.981%0.81277%0.773SS**  cis-131.7-176.2-2.131.1-9.2000114.9
481G25.6Very low29Very low80 Ų80131.8 Ų131.883%0.82577%0.771SS**  trans-179.8118.7165.300000115.8
482N29Very low29Very low156 Ų156134.2 Ų134.283%0.83478%0.776SS**  trans-74.8150.7-173.5-94.7-16.3000116.5
483V30.9Very low29.5Very low118 Ų118129.7 Ų129.772%0.71576%0.764SS**  trans56.6123134.51790000120
484D28.8Very low29.8Very low150 Ų150132.9 Ų132.980%0.80277%0.774SS**  -167.4-173.1107.6-131.2-45.9000115
485V29.1Very low30.2Very low123 Ų123131.6 Ų131.675%0.74578%0.776SS**  trans-108.6163.4-161.1174.30000114.5
486C29.4Very low30.7Very low117 Ų117127.6 Ų127.679%0.79177%0.771SS**  trans119.2136.5166-63.90000112.9
487R28.8Very low31.4Very low230 Ų230129.1 Ų129.187%0.86877%0.773SS**  cis95.986.817.3-166-162.9-101.6-179.8-5116.2
488S27.1Very low31.7Very low108 Ų108130.8 Ų130.876%0.75577%0.77SS**  trans-163.8135.1154.542.40000105.7
489L28Very low31.2Very low147 Ų147132.9 Ų132.977%0.7777%0.769SS**  cis63.2127.142.9-51.7-178.7000110.9
490S30.4Very low31.5Very low107 Ų107131.5 Ų131.575%0.74877%0.767SS**  cis-138.4155.122.9-70.80000111.1
491L34Very low30.7Very low128 Ų128130.7 Ų130.767%0.6777%0.765SS**  86.4125.250.1-135.9178.9000112.6S493L491-S493 WeakPolarHBondContact CD2-OG 3.44Å
492D27.3Very low30.8Very low163 Ų163135 Ų13587%0.87277%0.768SS**  trans163.4101.1159.9-84.9-12.1000105.8
493S35.3Very low30.8Very low86 Ų86133.2 Ų133.260%0.60176%0.763SS**  cis79.6100.640.1-68.50000116.1L491L491-S493 WeakPolarHBondContact CD2-OG 3.44Å
494D29.7Very low30.7Very low168 Ų168133.3 Ų133.390%0.89876%0.763SS**  158.1147.1124.6-81.8-6.9000111.5
495G31.7Very low30.7Very low67 Ų67134 Ų13469%0.69177%0.767SS**  cis171.8117.5-10.300000114.9
496S36.5Very low30.6Very low106 Ų106134.1 Ų134.174%0.74177%0.772SS**  trans67.4163.7159.7-122.10000117.9
497I37Very low30.7Very low149 Ų149136.8 Ų136.876%0.76478%0.778SS**  cis-137.1137.720.142.9174.8000114.7
498H32.9Very low30.9Very low138 Ų138130.2 Ų130.264%0.63977%0.773SS**  trans40.2118.2141.8-60.7-67.4000121.1
499E30.4Very low31Very low165 Ų165130.1 Ų130.177%0.77177%0.773SS**  77.8147.678.3-77.5-171.8114.600114.4
500T32.8Very low31.1Very low131 Ų131131.3 Ų131.380%0.80478%0.779SS**  cis-129.1145.62853.70000115.6
501S30.1Very low31Very low108 Ų108134.3 Ų134.376%0.75578%0.781SS**  trans-94.4167.8163.9-60.60000111.8
502L26.9Very low31.2Very low170 Ų170133.1 Ų133.189%0.8978%0.781SS**  trans-151.3149.2136.5-110.6176000111
503T28.6Very low31.1Very low118 Ų118133 Ų13372%0.72478%0.778SS**  trans-116.8-176.6-171.952.40000111
504V30Very low30.6Very low121 Ų121137.9 Ų137.973%0.73379%0.789SS**  180126.5122.1147.60000110.8
505D29.5Very low31.1Very low163 Ų163134.3 Ų134.387%0.87278%0.775SS**  trans-97.3157.2158.9-77.4-60.5000109.3
506C27.1Very low31Very low126 Ų126139.2 Ų139.285%0.85178%0.78SS**  trans-143.4144.7171.5-111.20000113.8
507N31.3Very low30.5Very low173 Ų173142.2 Ų142.293%0.92578%0.782SS**  trans-109.4179.8-179.6-109-44.1000111.9
508A31.9Very low30Very low92 Ų92142.1 Ų142.176%0.7678%0.778SS**  trans-108.8159.6-153.200000118.6
509S30.7Very low29.8Very low107 Ų107141.4 Ų141.475%0.74878%0.775SS**  trans79.6110.8145.9-164.40000121
510L29.2Very low29.7Very low171 Ų171142.2 Ų142.290%0.89577%0.771SS**  -170.8175111.7-99.9167.6000112.5
511Q27.3Very low29.4Very low171 Ų171146 Ų14680%0.79977%0.771SS**  trans-108.6177.6-173.9-102.4-158.532.500111.9
512P38.3Very low29.2Very low103 Ų103145.3 Ų145.367%0.66977%0.766SS**  cis-149.1-165.231.834.9-8.2000118.5
513I25.1Very low29.2Very low159 Ų159146.5 Ų146.582%0.81577%0.767SS**  trans105.4149.7160.3-56.5177.9000117.1
514K26.1Very low29.3Very low190 Ų190146.2 Ų146.283%0.82677%0.77SS**  trans-138.4178.5-165.2-113.6-167.9177.8-170.10108.9
515P39.9Very low29.9Very low93 Ų93146.5 Ų146.560%0.60477%0.774SS**  cis-141-178.824.843.8-24.9000118.2
516E28.8Very low29.8Very low170 Ų170146.6 Ų146.679%0.79477%0.769SS**  trans59.6154.1154.3-81.7128-140.400120.8
517E25.8Very low29.7Very low169 Ų169151 Ų15179%0.7977%0.768SS**  cis-142.3-169.613.6-144.2175-164.300114.1
518H27.4Very low29.4Very low146 Ų146148.7 Ų148.768%0.67676%0.76SS**  trans-41.3165.2178.9-83.3-136.4000119.7
519E28.2Very low29.4Very low124 Ų124153.6 Ų153.658%0.57977%0.765SS**  cis-160.7166.1-3-127.7-178.3124.700117.6
520R28.4Very low30Very low181 Ų181153.9 Ų153.968%0.68376%0.764SS**  trans-1.1136.2158.5-80.2-170.9-82.7-154.2-5.3125.4
521R27.1Very low30Very low210 Ų210151.8 Ų151.879%0.79276%0.758SS**  94.8106.9122.1-84.6-175.2177.5-173-2.9125.1
522S26.3Very low29.9Very low94 Ų94149.1 Ų149.166%0.65775%0.754SS**  54.8120.9116.367.30000125.1
523E26.7Very low29.6Very low196 Ų196150.9 Ų150.992%0.91676%0.756SS**  trans78.9161.7137-66.1-173.3166.100122.3
524S29.6Very low29.7Very low111 Ų111151.6 Ų151.678%0.77676%0.756SS**  trans-102.7174.6-166.872.50000111.4
525P42.6Very low29.8Very low127 Ų127148.5 Ų148.583%0.82575%0.753SS**  cis-149.1-126.441.542.4-17.2000116.3
526Q27.8Very low29.9Very low166 Ų166148.8 Ų148.878%0.77676%0.755SS**  trans-91.2167.3-159.1-57.5-179.7-9.600116.9
527R26.2Very low29.9Very low219 Ų219150 Ų15083%0.82676%0.758SS**  trans108.7124.4130.7-109.6-176.6-169.8-1641.9121.6
528T23.3Very low29.8Very low124 Ų124148.6 Ų148.676%0.76176%0.755SS**  trans82.7155.6144.628.30000123.1
529F32.6Very low29.7Very low194 Ų194146.7 Ų146.785%0.85175%0.753SS**  trans-87.2179.5-165.7-49.7-93.2000115
530P44.2Very low29.6Very low113 Ų113148.5 Ų148.573%0.73476%0.762SS**  -152.1150.29239.3-21.7000118.7
531V28.3Very low29.4Very low127 Ų127144.3 Ų144.377%0.7776%0.76SS**  trans69.5142.1137.31710000117.3
532T26Very low29.3Very low115 Ų115140.8 Ų140.871%0.70676%0.757SS**  -157.5152.855-21.90000115.5
533I31.7Very low29.4Very low141 Ų141142.3 Ų142.372%0.72376%0.757SS**  trans83.3125.8147.5-86.5157.9000122.4
534E26.8Very low29.4Very low173 Ų173143.8 Ų143.881%0.80875%0.754SS**  trans74.4139156-79162.6-143.300125.1
535T27.7Very low29.2Very low125 Ų125142.2 Ų142.277%0.76776%0.756SS**  trans-137.1172.5-166.158.40000105.6
536P43.3Very low28.5Very low100 Ų100144.1 Ų144.165%0.64975%0.754SS**  cis-150.3164.127.343.1-22.6000119.4
537K28.2Very low28.5Very low194 Ų194144.7 Ų144.784%0.84375%0.754SS**  trans52.6148.7135.7-65.1172.1-176.3176.80119.2
538L24.1Very low28.6Very low140 Ų140141.3 Ų141.373%0.73375%0.752SS**  cis-161.9159.523.1-157.277.8000110.8
539V25.2Very low28.7Very low106 Ų106142.5 Ų142.564%0.64275%0.748SS**  trans58.6108.1142.2145.70000120.9
540E25.6Very low28.4Very low162 Ų162138.5 Ų138.576%0.75774%0.744SS**  63.3137.2110.3-102.2-180171.100123.4
541S24.2Very low27.6Very low93 Ų93142.8 Ų142.865%0.6575%0.746SS**  trans88.1121.9130.5-64.60000123.3
542D24.4Very low27.6Very low137 Ų137142.7 Ų142.773%0.73374%0.74SS**  trans61117.6130.1-83.2-0.1000124.2
543L29.4Very low27.5Very low125 Ų125144.4 Ų144.465%0.65474%0.739SS**  76.4141124.2-65.8170.2000122.1
544R25.4Very low27.2Very low227 Ų227144.1 Ų144.186%0.85774%0.739SS**  trans85.4130.5145.6-127.5176.6-61.8-102.5-2117.4
545G26Very low27.1Very low78 Ų78143.4 Ų143.480%0.80474%0.738SS**  trans167.286.7177.500000110.5
546E28.2Very low27Very low167 Ų167142.1 Ų142.178%0.7873%0.734SS**  trans-91.2148.4-178.4-87.4-166.6135.400112.7
547F27.1Very low26.1Very low178 Ų178143.6 Ų143.678%0.78175%0.745SS**  trans45.1131.6145.5-78.2-87000119.8
548L28.7Very low26Very low149 Ų149138.7 Ų138.778%0.7874%0.735SS**  -171.4173.965.1-124.1163.1000113.9
549H26.5Very low26.3Very low148 Ų148140.7 Ų140.769%0.68574%0.739SS**  trans-48.9158175.6-73.9-56.4000116.7
550S25.3Very low26.6Very low110 Ų110140 Ų14077%0.76974%0.739SS**  -165.9132.967.534.30000112.4
551R26.8Very low26.8Very low203 Ų203140.3 Ų140.377%0.76674%0.74SS**  85.3113.976.2-81.2-171.1172.2-1481.4116.9
552I28.4Very low27Very low126 Ų126140.8 Ų140.865%0.64674%0.743SS**  trans76.1144.3130.7-63175.1000116.8
553H25.2Very low27.8Very low151 Ų151140.5 Ų140.570%0.69975%0.749SS**  cis-147.1152.413.9-124.6-49.1000111.6
554D25.6Very low28.1Very low134 Ų134139.5 Ų139.572%0.71775%0.752SS**  trans48.6163.5141.9-65.217.4000122.7
555M24.8Very low28.3Very low159 Ų159137.8 Ų137.878%0.78375%0.751SS**  cis-153168.513.4-149.2-170.874.300113.7
556S23.9Very low28.6Very low98 Ų98141.7 Ų141.769%0.68575%0.753SS**  trans71128.416966.10000117.7
557C24.2Very low29Very low130 Ų130142.1 Ų142.188%0.87875%0.752SS**  cis85.713524.4-157.30000113.4
558S27.9Very low29.6Very low92 Ų92139.8 Ų139.864%0.64376%0.755SS**  cis-129.6-175.110.166.10000110.6
559F29.8Very low29.8Very low182 Ų182142.6 Ų142.680%0.79876%0.755SS**  cis-154-1545.7-134.7-32.8000106.4
560S30.4Very low29.9Very low92 Ų92143.6 Ų143.664%0.64377%0.766SS**  cis-176.7139.8-11.339.30000105.5
561Q31.1Very low30.2Very low167 Ų167144.2 Ų144.278%0.7876%0.764SS**  cis-139.3-160.5-11.7-86.3169.924.100105.1
562S28.2Very low30.2Very low104 Ų104141.2 Ų141.273%0.72777%0.768SS**  cis-152.1161.714-55.90000110.5
563P41.3Very low30.2Very low130 Ų130141 Ų14184%0.84477%0.772SS**  trans-104.7177.8-168.940.3-35.6000115.7
564S35.3Very low30.3Very low104 Ų104143.7 Ų143.773%0.72778%0.783SS**  trans-126.9165.7175.759.60000110.9
565F30.6Very low30.4Very low191 Ų191147.7 Ų147.784%0.83879%0.788SS**  trans-174.9142.6150.1-100-48.5000117.5
566L32Very low30.6Very low160 Ų160145 Ų14584%0.83878%0.784SS**  trans66.8162147.4-60.6-172.9000123.6
567K36Very low30.8Very low177 Ų177149.8 Ų149.877%0.7779%0.789SS**  trans-109.8177.7-172.6-57.8175.6178.5174.50111
568P39.9Very low31Very low128 Ų128149.3 Ų149.383%0.83179%0.786SS**  -127.4167.7105.237-33.2000114.7
569R33.5Very low31Very low208 Ų208150.5 Ų150.579%0.78579%0.794SS**  trans-95.7155.5167.1-82.2174.8160.6163.9-8109.5
570N27.7Very low31.3Very low170 Ų170147.2 Ų147.291%0.90979%0.794SS**  trans-133.6149.2147.4-92.7-34.4000109.3
571V31.2Very low31.3Very low123 Ų123151.1 Ų151.175%0.74581%0.805SS**  trans-136.4122.2-178.6173.30000107.8
572V26.8Very low31.2Very low140 Ų140150.4 Ų150.485%0.84881%0.807SS**  trans-135.4131.5169.6-174.80000110.5
573V29Very low31.3Very low120 Ų120156.9 Ų156.973%0.72782%0.815SS**PPolyproline II helixtrans-54.8136-179.9174.10000113.3R575V573-R575 PolarHBondContact O-N 2.89Å
574F26.8Very low30.7Very low209 Ų209155 Ų15592%0.91781%0.805SS**PPolyproline II helixtrans-67.1116.9158.9-89.6-91.9000109.9
575R27.7Very low30.5Very low217 Ų217157.4 Ų157.482%0.81981%0.81SS**PPolyproline II helixtrans-88.2122.2165-93.1-170.7167.6-151.2-2.6110V573V573-R575 PolarHBondContact O-N 2.89Å
576S29.7Very low30.5Very low102 Ų102155.4 Ų155.471%0.71381%0.814SS**PPolyproline II helixtrans-64.4142.5158.6174.70000110
577Y28.6Very low30.5Very low200 Ų200153.2 Ų153.278%0.78481%0.812SS**  trans-163.8125.9140.2-101.5-64.6000111.1
578C27.6Very low30.2Very low120 Ų120148.5 Ų148.581%0.81181%0.813SS**  trans-99.6127.6157.8-64.30000108.7
579S27.4Very low29.7Very low116 Ų116148.2 Ų148.281%0.81181%0.809SS**  trans176.7152.6145.533.20000111.8
580S37Very low29.5Very low114 Ų114144.2 Ų144.280%0.79781%0.813SS**  trans-96.9154.1-175-37.40000112.1
581I29.2Very low29.8Very low174 Ų174146.8 Ų146.889%0.89281%0.81SS**  trans-159149.7155.5-107.3149.8000111.1
582N30.3Very low29.9Very low151 Ų151148.4 Ų148.481%0.80781%0.813SS**  trans-80.2142.7178.8-68.2-54.9000112.8
583R29Very low30.1Very low240 Ų240146.1 Ų146.191%0.90680%0.803SS**  178.3132.9113-104177.8171.6164.7-2.3116.6
584S29.9Very low30.2Very low90 Ų90147.3 Ų147.363%0.62981%0.811SS**  trans22.5131.7140.160.80000123.2
585N31.4Very low30.4Very low155 Ų155140.7 Ų140.783%0.82980%0.801SS**  trans45.2123.7138.9-63.66.3000121.5
586T30.5Very low30.5Very low149 Ų149136.1 Ų136.191%0.91480%0.803SS**  -157.4164.7117.315.30000112.7
587S32.2Very low30.9Very low115 Ų115138 Ų13880%0.80481%0.81SS**  trans-79157.6-175.145.30000114.6
588G28.8Very low31.2Very low77 Ų77136.2 Ų136.279%0.79481%0.808SS**  trans-151.921.2-172.900000119
589V30.3Very low31.6Very low122 Ų122135 Ų13574%0.73981%0.807SS**  trans39.1112.9161.2-176.80000119.4R591V589-R591 HydrophobicContact CG1-CG 4.32Å
590S29.5Very low31.9Very low124 Ų124137.2 Ų137.287%0.86781%0.806SS**  trans-95.4148155.8-62.80000112.3
591R33.2Very low31.5Very low224 Ų224138.9 Ų138.985%0.84581%0.807SS**  trans-134.3142.8163.4-66174165.9174.3-6.5104.6V589V589-R591 HydrophobicContact CG1-CG 4.32Å
592L34Very low31.7Very low157 Ų157136.3 Ų136.382%0.82280%0.798SS**  cis-151.8168.333.4-66164.4000108
593S29.7Very low32Very low92 Ų92134.6 Ų134.664%0.64380%0.798SS**  cis-169.3147.2-20.7-96.90000111.3
594V31.1Very low32.1Very low146 Ų146127.2 Ų127.289%0.88579%0.789SS**  trans47.9119.2139.3-172.80000120.8
595G32.1Very low32.1Very low69 Ų69127.6 Ų127.671%0.71180%0.797SS**  trans175.993.3157.400000115.3
596S29.8Very low32.2Very low122 Ų122125 Ų12585%0.85380%0.797SS**  trans31.9137.7141.3-72.20000121.8
597V38.1Very low32.2Very low141 Ų141122.7 Ų122.786%0.85579%0.788SS**  cis-147.9171.48.7-161.80000109.9
598E33.4Very low32.1Very low163 Ų163121.7 Ų121.776%0.76278%0.78SS**  trans-84.2152.5178.8-64.8170.795.100116.7
599A36.1Very low32.3Very low95 Ų95126.3 Ų126.379%0.78578%0.78SS**  trans179.5109.313600000107.5
600M33.6Very low32.3Very low161 Ų161125.7 Ų125.779%0.79378%0.781SS**  76.6138.469.5-73.4-157.7178.800116.2
601D29.1Very low32.5Very low150 Ų150124 Ų12480%0.80278%0.775SS**  trans86117.7-179.8-61.9-16.9000118.9
602V34.8Very low32.2Very low119 Ų119119.8 Ų119.872%0.72178%0.778SS**  cis97.9118.919.2-177.80000114.8
603S35.5Very low32.1Very low115 Ų115115.4 Ų115.480%0.80477%0.771SS**  trans67.8158.8161.9-70.50000118.9
604A30.9Very low32.1Very low85 Ų85118.5 Ų118.570%0.70279%0.786SS**  cis-166.1142.1-27.800000112.5
605A30.8Very low32Very low98 Ų98115.1 Ų115.181%0.8177%0.774SS**  trans58.2168.7134.600000123.6
606A32.4Very low32Very low100 Ų100118.3 Ų118.383%0.82678%0.779SS**  trans75.6150.116100000119.7
607S30.5Very low33Very low102 Ų102117.7 Ų117.771%0.71377%0.773SS**  cis-172.5172.8-29.9-159.30000111
608C30.9Very low32.5Very low94 Ų94117.2 Ų117.264%0.63577%0.77SS**  trans68.2153.9156.6-57.80000118.8
609H33.6Very low32.5Very low173 Ų173117.9 Ų117.980%0.80177%0.773SS**  cis-166.7168.3-19.9-100.3-28.6000112
610S28.6Very low32.1Very low110 Ų110125.1 Ų125.177%0.76978%0.78SS**  trans74.2136.7166.5-137.80000118.4
611A33.8Very low31.8Very low89 Ų89128.8 Ų128.874%0.73679%0.785SS**  cis83.2141.214.600000115.8
612C28.4Very low31.7Very low135 Ų135133.1 Ų133.191%0.91279%0.79SS**  cis-169.3168.1-12.1-170.80000111.4
613G31.7Very low31.4Very low65 Ų65133.4 Ų133.467%0.6780%0.797SS**  trans97.6161.6161.100000117.6
614T28.6Very low31.1Very low156 Ų156132.6 Ų132.696%0.95779%0.791SS**  cis-156.8-177.1-8.2-59.60000108.8
615A28.9Very low31.1Very low76 Ų76136.7 Ų136.763%0.62880%0.802SS**  trans-136.1162.7-151.600000120.6
616T33Very low30.9Very low135 Ų135135.5 Ų135.583%0.82880%0.799SS**  trans69.6173.6157.165.90000118.9
617P49.4Very low30.7Very low110 Ų110136 Ų13671%0.71480%0.797SS**  cis-139.6-1673.329.2-2.5000117.7
618V28.9Very low30.7Very low131 Ų131137.3 Ų137.379%0.79480%0.8SS**  trans83.9148.9158-163.80000118.6
619Q32.9Very low30.8Very low176 Ų176140.5 Ų140.582%0.82281%0.81SS**  177.5125.8-56.3174.4-173.249.400111.1
620R28.7Very low30.6Very low248 Ų248141.2 Ų141.294%0.93681%0.814SS**  trans-165.8149.1147.5-115.5173.4-172.7-166.11.3114.6
621R25.8Very low30.6Very low237 Ų237142.3 Ų142.389%0.89482%0.816SS**  trans-82.2168.9172.8-67.6177171.8173.2-4.2110.2
622R28.7Very low30.5Very low241 Ų241143.5 Ų143.591%0.90982%0.816SS**  cis-149.6157.527-59.5168.2169.5170.5-5.1112.4
623S27.2Very low30.8Very low125 Ų125145 Ų14587%0.87481%0.81SS**  trans-150.3167133.5-162.80000109.2
624S30Very low30.9Very low98 Ų98147.6 Ų147.669%0.68582%0.815SS**  trans-145.3131.5-166.553.60000114.4
625N29.8Very low30.8Very low172 Ų172149.1 Ų149.192%0.9281%0.813SS**  trans55.5118.6157.9-60.98.9000119.4
626G26.5Very low30.8Very low73 Ų73151 Ų15175%0.75382%0.822SS**  trans173.3116163.100000111.7
627S28.5Very low30.9Very low111 Ų111150.2 Ų150.278%0.77682%0.817SS**  trans-5.5119.2173.153.60000117.5
628V30Very low30.1Very low129 Ų129150.5 Ų150.578%0.78282%0.822SS**  51.898.274.8-176.40000112.9
629N32.9Very low30.2Very low160 Ų160152.8 Ų152.886%0.85682%0.824SS**  -157.9132.1124.7-96.3-34000109
630Q30.2Very low30.5Very low189 Ų189149.7 Ų149.788%0.88382%0.817SS**PPolyproline II helixtrans-82.3147.8176.8-76.5171.9-48.800110.7P632Q630-P632 WeakPolarHBondContact O-CD 3.31Å
631T29.4Very low31.1Very low133 Ų133143.6 Ų143.682%0.81681%0.809SS**PPolyproline II helixtrans-62.9125.2170.4-41.90000110.2Q633T631-Q633 PolarHBondContact O-N 3.46Å
632P31.3Very low31.6Very low113 Ų113140.4 Ų140.473%0.73480%0.802SS**PPolyproline II helixtrans-64132.6168.5-20.233.3000110.5Q630Q630-P632 WeakPolarHBondContact O-CD 3.31Å
633Q34.6Very low31.7Very low168 Ų168140.2 Ų140.279%0.78580%0.802SS**PPolyproline II helixtrans-60.6144.1165.8-70.9-76.7-7.400109.5T631 M635T631-Q633 PolarHBondContact O-N 3.46Å; Q633-M635 PolarHBondContact O-N 3.44Å
634P32.7Very low32.2Very low118 Ų118139.7 Ų139.777%0.76679%0.793SS**PPolyproline II helixtrans-62.7127.4176.426.6-33.5000110.1
635M27.2Very low32.5Very low188 Ų188140.9 Ų140.993%0.92680%0.799SS**PPolyproline II helixtrans-70152.8179.5-79.8-172.5164.100112.2Q633Q633-M635 PolarHBondContact O-N 3.44Å
636S29.2Very low32.8Very low115 Ų115142.1 Ų142.180%0.80480%0.796SS**PPolyproline II helixtrans-60.5153.3-176.4-165.20000113.4S638S636-S638 PolarHBondContact O-N 2.88Å
637T35.4Very low33.1Very low119 Ų119143.1 Ų143.173%0.7379%0.791SS**PPolyproline II helixtrans-62.9121.9-178.150.20000112.5
638S32.4Very low33.4Very low117 Ų117144.2 Ų144.282%0.81879%0.793SS**PPolyproline II helixtrans-72128.4164.752.60000110.4S636S636-S638 PolarHBondContact O-N 2.88Å
639H30.8Very low33.5Very low179 Ų179149.3 Ų149.383%0.82980%0.798SS**PPolyproline II helixtrans-69132.6-173.5-67.5-99.8000113.6
640T40.2Very low33.6Very low110 Ų110153.6 Ų153.668%0.67580%0.802SS**PPolyproline II helixtrans-86146.1148.752.70000108.9F642T640-F642 VanDerWaalsContact C-N 3.3Å; T640-F642 PolarHBondContact O-N 3.29Å; T640-F642 PolarHBondContact OG1-O 3.25Å
641P40Very low33.5Very low120 Ų120148.1 Ų148.178%0.77980%0.796SS**SBendtrans-71.1-26.3178.827.3-33.3000112.8
642F37.4Very low33.8Very low171 Ų171146.6 Ų146.675%0.7580%0.798SS**SBendtrans-101144.3178-64.2-71.3000112.7T640T640-F642 VanDerWaalsContact C-N 3.3Å; T640-F642 PolarHBondContact O-N 3.29Å; T640-F642 PolarHBondContact OG1-O 3.25Å
643R29.5Very low33.9Very low236 Ų236149 Ų14989%0.89180%0.803SS**  trans-119.9101.3-161.8178.6-168-171.6-174.84.3110P645R643-P645 WeakPolarHBondContact O-CD 3.29Å
644T38.4Very low34.2Very low115 Ų115146.6 Ų146.671%0.70680%0.802SS**  trans-70.7125.4173.541.80000111.2K646T644-K646 PolarHBondContact O-N 2.93Å
645P35.7Very low34.8Very low122 Ų122147.7 Ų147.779%0.79281%0.807SS**  trans-73.284.5176-18.834.1000112.2R643 S647R643-P645 WeakPolarHBondContact O-CD 3.29Å; P645-S647 PolarHBondContact O-N 2.95Å
646K37.5Very low35.3Very low198 Ų198148.1 Ų148.186%0.86181%0.806SS**  trans-72.472.3172.2-80.4-172.8172.5179.10112.2T644T644-K646 PolarHBondContact O-N 2.93Å
647S32.3Very low35.7Very low94 Ų94145 Ų14566%0.65779%0.792SS**  trans-159.5108166.457.90000114.7P645P645-S647 PolarHBondContact O-N 2.95Å
648V35.1Very low35.9Very low134 Ų134142.8 Ų142.881%0.81279%0.786SS**  trans46.3110.6130.7-177.40000116
649R31.9Very low36.3Very low236 Ų236142.5 Ų142.589%0.89178%0.782SS**  -151.4162.463.9-68.6179-175.4-150.7-3.8112.6
650R33.7Very low37.2Very low251 Ų251138.4 Ų138.495%0.94777%0.765SS**PPolyproline II helixtrans-70128.4159.3-68.6-177.7-177.7168.21.3109.2
651G29.7Very low37.5Very low73 Ų73138.2 Ų138.275%0.75376%0.759SS**PPolyproline II helixtrans-67168.9166.400000112.2
652A34.3Very low38.2Very low102 Ų102133.9 Ų133.984%0.84374%0.736SS**PPolyproline II helixtrans-69.4168.2177.400000112.5
653L33.4Very low39.6Very low163 Ų163128.4 Ų128.485%0.85372%0.717SS**PPolyproline II helixtrans-56142-178.7-80.8159.4000112.6
654P40.6Very low42.3Very low117 Ų117118.2 Ų118.276%0.7668%0.681SS**PPolyproline II helixtrans-61.2143.2171.9-21.132.9000112.2
655V46.1Very low44.8Very low142 Ų142113.4 Ų113.486%0.86165%0.651SS**PPolyproline II helixtrans-69.1143.4167.51790000109.4
656E37.9Very low47.6Very low196 Ų196108.2 Ų108.292%0.91662%0.616SS**SBendtrans-62.3132.3-176.3-60.2-174.6116.700112.6
657G37.8Very low50.3Low49 Ų4999.6 Ų99.651%0.50558%0.579SS.*SBendtrans-163.915.3-175.500000116.8R674G657-R674 PolarHBondContact O-NH2 2.88Å
658A38.7Very low53.3Low74 Ų7495.1 Ų95.161%0.61255%0.548SS*.  trans66.8147.4-16100000113.7I660A658-I660 PolarHBondContact O-N 2.57Å
659P41.6Very low56.2Low111 Ų11189 Ų8972%0.72151%0.511SS*.  trans-64.1128.1179.326.1-34000110.8L661P659-L661 PolarHBondContact O-N 2.7Å
660I49.8Very low59.2Low92 Ų9278.1 Ų78.147%0.47247%0.47SS..  trans-65.9116.3167.8-65.8154.2000106.8A658 G662 L667 F709A658-I660 PolarHBondContact O-N 2.57Å; I660-G662 PolarHBondContact O-N 3.32Å; I660-L667 HydrophobicContact CG2-CD1 4.03Å; I660-F709 HydrophobicContact CB-CZ 4.48Å; I660-F709 HydrophobicContact CD1-CE2 3.74Å; I660-F709 HydrophobicContact CD1-CZ 3.57Å; I660-F709 HydrophobicContact CG1-CE2 4.26Å; I660-F709 HydrophobicContact CG1-CZ 3.86Å; I660-F709 HydrophobicContact CG2-CE1 4.36Å; I660-F709 HydrophobicContact CG2-CZ 3.8Å
661L45.5Very low62Low106 Ų10668 Ų6856%0.55544%0.435SS*.  trans-87.7109.5-175.8-71.6156000109.4L171 P659L171-L661 HydrophobicContact CD1-CB 4.05Å; L171-L661 HydrophobicContact CD2-CB 4.2Å; L171-L661 HydrophobicContact CD2-CD2 3.74Å; L171-L661 HydrophobicContact CD2-CG 4.45Å; P659-L661 PolarHBondContact O-N 2.7Å
662G54.4Low64.9Low29 Ų2966.2 Ų66.230%0.29941%0.407SS..SBendtrans109.6172.7179.600000113.5I660I660-G662 PolarHBondContact O-N 3.32Å
663T68.1Low67.5Low56 Ų5665.4 Ų65.434%0.34439%0.388SS..  trans-76121.9169.2-55.20000107D665 Y666T663-D665 VanDerWaalsContact CG2-OD2 3.24Å; T663-D665 WeakPolarHBondContact CG2-OD2 3.4Å; T663-D665 PolarHBondContact O-N 3.28Å; T663-D665 VanDerWaalsContact O-N 3.11Å; T663-Y666 HydrophobicContact CG2-CD2 4.09Å; T663-Y666 HydrophobicContact CG2-CE2 3.72Å; T663-Y666 PolarHBondContact O-N 3.49Å
664P84.9Confident70.1Confident23 Ų2366.9 Ų66.915%0.14938%0.383CS..G310 helixtrans-62.7-28.4-160.624.8-34.9000113.8Y666 L667 P705 V708 F709 I712P664-Y666 PolarHBondContact O-N 2.93Å; P664-L667 WeakPolarHBondContact O-CB 3.47Å; P664-L667 PolarHBondContact O-N 3.18Å; P664-L667 VanDerWaalsContact O-N 3.08Å; P664-P705 HydrophobicContact CG-CB 4.28Å; P664-V708 HydrophobicContact CB-CG1 4.02Å; P664-V708 HydrophobicContact CG-CG1 4.25Å; P664-F709 HydrophobicContact CB-CD1 4.2Å; P664-F709 HydrophobicContact CB-CE1 3.57Å; P664-F709 HydrophobicContact CB-CZ 4.42Å; P664-I712 VanDerWaalsContact O-CD1 3.29Å; P664-I712 WeakPolarHBondContact O-CD1 3.22Å
665D91.6Very high72.5Confident13 Ų1366.7 Ų66.77%0.0737%0.37CS..G310 helixtrans-59.6-26.5-173.2-46.1-99.3000114.2T663 V688 P698 N701T663-D665 VanDerWaalsContact CG2-OD2 3.24Å; T663-D665 WeakPolarHBondContact CG2-OD2 3.4Å; T663-D665 PolarHBondContact O-N 3.28Å; T663-D665 VanDerWaalsContact O-N 3.11Å; D665-V688 WeakPolarHBondContact O-CG1 3.43Å; D665-P698 HydrophobicContact CB-CB 4.05Å; D665-P698 HydrophobicContact CB-CG 4.39Å; D665-N701 VanDerWaalsContact OD1-CA 3.23Å; D665-N701 WeakPolarHBondContact OD1-CA 3.37Å; D665-N701 WeakPolarHBondContact OD1-CB 3.39Å
666Y95.5Very high74.5Confident14 Ų1466 Ų666%0.05537%0.368CS..G310 helixtrans-98.7-3.7-178.3-48.3-93.5000112.9K152 T663 P664 V688 E692K152-Y666 HydrophobicContact CB-CD1 3.8Å; K152-Y666 HydrophobicContact CB-CD2 3.85Å; K152-Y666 HydrophobicContact CB-CE1 3.71Å; K152-Y666 HydrophobicContact CB-CE2 3.76Å; K152-Y666 HydrophobicContact CB-CG 3.88Å; K152-Y666 HydrophobicContact CD-CE2 4.39Å; T663-Y666 HydrophobicContact CG2-CD2 4.09Å; T663-Y666 HydrophobicContact CG2-CE2 3.72Å; T663-Y666 PolarHBondContact O-N 3.49Å; P664-Y666 PolarHBondContact O-N 2.93Å; Y666-V688 HydrophobicContact CD1-CB 4.12Å; Y666-V688 HydrophobicContact CD1-CG1 3.46Å; Y666-V688 VanDerWaalsContact CD1-CG1 3.46Å; Y666-V688 HydrophobicContact CE1-CG1 3.86Å; Y666-V688 HydrophobicContact CG-CG1 4.14Å; Y666-E692 WeakPolarHBondContact CE1-OE2 3.33Å; Y666-E692 PolarHBondContact OH-OE1 3.45Å; Y666-E692 PolarHBondContact OH-OE2 3.21Å; Y666-E692 VanDerWaalsContact OH-OE2 3.13Å
667L94.2Very high77Confident17 Ų1759.3 Ų59.39%0.08934%0.337CS..  trans-74.7129.9-174.4-63.8179.6000111.7I660 P664 L671 L672 W684 F709I660-L667 HydrophobicContact CG2-CD1 4.03Å; P664-L667 WeakPolarHBondContact O-CB 3.47Å; P664-L667 PolarHBondContact O-N 3.18Å; P664-L667 VanDerWaalsContact O-N 3.08Å; L667-L671 HydrophobicContact CD2-CD1 4.02Å; L667-L672 HydrophobicContact CB-CD2 3.86Å; L667-L672 HydrophobicContact CB-CG 4.39Å; L667-L672 HydrophobicContact CD1-CD2 3.72Å; L667-L672 HydrophobicContact CG-CD2 4.46Å; L667-W684 PolarHBondContact O-NE1 2.73Å; L667-F709 HydrophobicContact CD1-CE1 4.36Å
668A95.2Very high79.5Confident0 Ų060.5 Ų60.50%033%0.332CS..  trans-68.5146.6173.500000111.5E670 L671 L672 V681 W684A668-E670 HydrophobicContact CB-CG 4.31Å; A668-E670 PolarHBondContact O-N 3.37Å; A668-E670 VanDerWaalsContact O-N 3.15Å; A668-L671 HydrophobicContact CB-CD1 4.43Å; A668-L671 HydrophobicContact CB-CG 4.45Å; A668-L671 WeakPolarHBondContact O-CB 3.2Å; A668-L671 PolarHBondContact O-N 3.46Å; A668-L672 PolarHBondContact O-N 3.34Å; A668-V681 HydrophobicContact CB-CB 4.06Å; A668-V681 HydrophobicContact CB-CG1 4.05Å; A668-W684 VanDerWaalsContact CA-CD1 3.48Å; A668-W684 HydrophobicContact CB-CB 3.84Å; A668-W684 HydrophobicContact CB-CD2 4.36Å; A668-W684 HydrophobicContact CB-CG 3.76Å
669P95.6Very high82.2Confident6 Ų658.4 Ų58.44%0.03931%0.312CS..Hα-helixtrans-60.5-29.6-175.224.1-35.2000113.2L671 L672 L673 W684 I712 L713 M740P669-L671 VanDerWaalsContact C-N 3.31Å; P669-L671 PolarHBondContact O-N 3.18Å; P669-L672 PolarHBondContact O-N 3.19Å; P669-L673 WeakPolarHBondContact O-CB 3.21Å; P669-L673 VanDerWaalsContact O-CG 3.28Å; P669-L673 WeakPolarHBondContact O-CG 3.35Å; P669-L673 PolarHBondContact O-N 2.8Å; P669-W684 HydrophobicContact CG-CE3 4.37Å; P669-W684 HydrophobicContact CG-CH2 4.15Å; P669-W684 HydrophobicContact CG-CZ3 4.05Å; P669-I712 HydrophobicContact CB-CG2 4.11Å; P669-L713 HydrophobicContact CB-CD2 4.18Å; P669-M740 HydrophobicContact CB-CE 3.73Å; P669-M740 HydrophobicContact CB-SD 4.4Å; P669-M740 HydrophobicContact CG-CE 3.84Å; P669-M740 HydrophobicContact CG-SD 3.88Å
670E94.6Very high84.8Confident7 Ų755.4 Ų55.43%0.03329%0.289CS..Hα-helixtrans-65.7-28.117362.3-91.5-154.700114.1A668 R674 K675 H677 V681 M742 R745A668-E670 HydrophobicContact CB-CG 4.31Å; A668-E670 PolarHBondContact O-N 3.37Å; A668-E670 VanDerWaalsContact O-N 3.15Å; E670-R674 PolarHBondContact O-N 3.41Å; E670-K675 HydrophobicContact CB-CB 4.24Å; E670-K675 PolarHBondContact O-N 3.46Å; E670-H677 HydrophobicContact CG-CB 3.82Å; E670-V681 HydrophobicContact CG-CG1 3.93Å; E670-V681 WeakPolarHBondContact OE1-CG1 3.41Å; E670-M742 HydrophobicContact CB-SD 3.83Å; E670-M742 HydrophobicContact CG-CE 4.04Å; E670-M742 HydrophobicContact CG-CG 4.18Å; E670-M742 HydrophobicContact CG-SD 3.65Å; E670-M742 WeakPolarHBondContact OE1-CG 3.08Å; E670-R745 IonicContact OE1-CZ 2.71Å; E670-R745 IonicContact OE1-NH1 2.7Å; E670-R745 PolarHBondContact OE1-NH1 3.48Å; E670-R745 IonicContact OE1-NH2 3.22Å; E670-R745 PolarHBondContact OE1-NH2 2.74Å; E670-R745 IonicContact OE2-CZ 3.85Å; E670-R745 IonicContact OE2-NH1 2.79Å; E670-R745 IonicContact OE2-NH2 2.8Å; E670-R745 PolarHBondContact OE2-NH2 2.7Å
671L91.6Very high87Confident38 Ų3851.2 Ų51.220%0.19927%0.268CS..Hα-helixtrans-72.6-45.4174.8-64.9176.1000110.6L667 A668 P669 L673 R674 H677 V681L667-L671 HydrophobicContact CD2-CD1 4.02Å; A668-L671 HydrophobicContact CB-CD1 4.43Å; A668-L671 HydrophobicContact CB-CG 4.45Å; A668-L671 WeakPolarHBondContact O-CB 3.2Å; A668-L671 PolarHBondContact O-N 3.46Å; P669-L671 VanDerWaalsContact C-N 3.31Å; P669-L671 PolarHBondContact O-N 3.18Å; L671-L673 VanDerWaalsContact C-N 3.32Å; L671-L673 PolarHBondContact O-N 2.74Å; L671-R674 PolarHBondContact O-N 2.93Å; L671-H677 HydrophobicContact CD2-CB 4.49Å; L671-V681 HydrophobicContact CD1-CB 4.09Å; L671-V681 HydrophobicContact CD1-CG1 4.09Å; L671-V681 HydrophobicContact CD2-CG1 4Å; L671-V681 HydrophobicContact CG-CB 4.42Å; L671-V681 HydrophobicContact CG-CG1 3.86Å
672L90.6Very high89.5Confident35 Ų3546.1 Ų46.118%0.18324%0.241CC..Hα-helixtrans-59.2-43.9176.4-58.2-172.2000111.5L667 A668 P669 R674 F709 I712 L713L667-L672 HydrophobicContact CB-CD2 3.86Å; L667-L672 HydrophobicContact CB-CG 4.39Å; L667-L672 HydrophobicContact CD1-CD2 3.72Å; L667-L672 HydrophobicContact CG-CD2 4.46Å; A668-L672 PolarHBondContact O-N 3.34Å; P669-L672 PolarHBondContact O-N 3.19Å; L672-R674 PolarHBondContact O-N 3.42Å; L672-F709 HydrophobicContact CD1-CB 4.07Å; L672-F709 HydrophobicContact CD1-CD1 3.7Å; L672-F709 HydrophobicContact CD1-CE1 4.39Å; L672-F709 HydrophobicContact CD1-CG 4.03Å; L672-F709 HydrophobicContact CD2-CD1 3.54Å; L672-F709 HydrophobicContact CD2-CE1 3.34Å; L672-F709 HydrophobicContact CD2-CG 4.22Å; L672-F709 HydrophobicContact CD2-CZ 3.87Å; L672-F709 HydrophobicContact CG-CD1 4.28Å; L672-I712 HydrophobicContact CD1-CB 3.89Å; L672-I712 HydrophobicContact CD1-CD1 4.04Å; L672-I712 HydrophobicContact CD1-CG2 3.55Å; L672-L713 HydrophobicContact CD1-CG 4.36Å
673L90.1Very high91.6Very high85 Ų8545.2 Ų45.245%0.44523%0.229SC..THydrogen-bonded Turntrans-77.76.1177.4-61.8174.7000113.9P669 L671 K675 L713P669-L673 WeakPolarHBondContact O-CB 3.21Å; P669-L673 VanDerWaalsContact O-CG 3.28Å; P669-L673 WeakPolarHBondContact O-CG 3.35Å; P669-L673 PolarHBondContact O-N 2.8Å; L671-L673 VanDerWaalsContact C-N 3.32Å; L671-L673 PolarHBondContact O-N 2.74Å; L673-K675 HydrophobicContact CB-CD 3.96Å; L673-K675 HydrophobicContact CB-CG 3.97Å; L673-K675 HydrophobicContact CD1-CD 4.25Å; L673-K675 PolarHBondContact O-N 3.4Å; L673-K675 VanDerWaalsContact O-N 3.09Å; L673-L713 HydrophobicContact CD1-CD2 3.94Å; L673-L713 HydrophobicContact CD2-CD1 4.46Å; L673-L713 HydrophobicContact CD2-CD2 3.85Å; L673-L713 HydrophobicContact CG-CD2 3.74Å
674R88.2Confident93Very high195 Ų19542.5 Ų42.574%0.73621%0.212SC*.THydrogen-bonded Turntrans50.431.8-178.5-59-176.3178.8-179.5-0.4113.8G657 E670 L671 L672G657-R674 PolarHBondContact O-NH2 2.88Å; E670-R674 PolarHBondContact O-N 3.41Å; L671-R674 PolarHBondContact O-N 2.93Å; L672-R674 PolarHBondContact O-N 3.42Å
675K89.7Confident93.6Very high113 Ų11341.6 Ų41.649%0.49121%0.207SC..  trans-79157.4-178.6-72.3174.5178.7173.50111.3E670 L673 H677E670-K675 HydrophobicContact CB-CB 4.24Å; E670-K675 PolarHBondContact O-N 3.46Å; L673-K675 HydrophobicContact CB-CD 3.96Å; L673-K675 HydrophobicContact CB-CG 3.97Å; L673-K675 HydrophobicContact CD1-CD 4.25Å; L673-K675 PolarHBondContact O-N 3.4Å; L673-K675 VanDerWaalsContact O-N 3.09Å; K675-H677 PolarHBondContact O-N 2.68Å; K675-H677 PolarHBondContact O-ND1 3.11Å; K675-H677 VanDerWaalsContact O-ND1 3.1Å
676P88.3Confident93.9Very high126 Ų12641 Ų4182%0.81820%0.204SC*.  trans-54.9126.6164.9-22.533.7000109.8
677H90.2Very high94.1Very high56 Ų5640.3 Ų40.326%0.25920%0.201SC..  trans-134.6154-174.458.9-92.2000111.5R149 E670 L671 K675 V681 M742R149-H677 PolarHBondContact NE-NE2 3.07Å; R149-H677 PolarHBondContact NH2-NE2 3.47Å; E670-H677 HydrophobicContact CG-CB 3.82Å; L671-H677 HydrophobicContact CD2-CB 4.49Å; K675-H677 PolarHBondContact O-N 2.68Å; K675-H677 PolarHBondContact O-ND1 3.11Å; K675-H677 VanDerWaalsContact O-ND1 3.1Å; H677-V681 HydrophobicContact CB-CG1 3.91Å; H677-M742 HydrophobicContact CB-CE 4.01Å
678D91.8Very high94.3Very high75 Ų7539.5 Ų39.540%0.40120%0.197SC..  trans-116.3-147.9177.763.217.9000110.1M680 M742D678-M680 VanDerWaalsContact C-N 3.34Å; D678-M680 VanDerWaalsContact OD1-CB 3.29Å; D678-M680 WeakPolarHBondContact OD1-CB 3.38Å; D678-M680 VanDerWaalsContact OD1-CG 3.29Å; D678-M680 WeakPolarHBondContact OD1-CG 3.5Å; D678-M680 PolarHBondContact OD1-N 2.94Å; D678-M742 HydrophobicContact CB-CE 4.5Å; D678-M742 WeakPolarHBondContact OD1-CE 3.33Å
679C94.4Very high94.4Very high30 Ų3039.5 Ų39.520%0.20320%0.197CC..THydrogen-bonded Turntrans-84-2.5-179.168.40000114.9H142 I147 V681 D682H142-C679 HydrophobicContact CB-CB 4.4Å; H142-C679 PolarHBondContact CE1-O 3.21Å; H142-C679 VanDerWaalsContact CE1-O 3.31Å; H142-C679 PolarHBondContact ND1-SG 3.33Å; H142-C679 VanDerWaalsContact ND1-SG 3.4Å; I147-C679 HydrophobicContact CD1-CB 4.34Å; I147-C679 HydrophobicContact CG1-CB 4.03Å; I147-C679 HydrophobicContact CG2-CB 4.13Å; C679-V681 PolarHBondContact O-N 3.35Å; C679-D682 PolarHBondContact O-N 3.06Å
680M96.4Very high94.6Very high47 Ų4739.2 Ų39.223%0.23220%0.195CC..Hα-helixtrans-66.4-16175.4-63.2-58.6166.900113.4D678 D682 W683 W684 M742 R745D678-M680 VanDerWaalsContact C-N 3.34Å; D678-M680 VanDerWaalsContact OD1-CB 3.29Å; D678-M680 WeakPolarHBondContact OD1-CB 3.38Å; D678-M680 VanDerWaalsContact OD1-CG 3.29Å; D678-M680 WeakPolarHBondContact OD1-CG 3.5Å; D678-M680 PolarHBondContact OD1-N 2.94Å; M680-D682 VanDerWaalsContact C-N 3.27Å; M680-D682 PolarHBondContact O-N 3.24Å; M680-W683 PolarHBondContact O-N 2.79Å; M680-W683 HydrophobicContact SD-CG 4.4Å; M680-W684 PolarHBondContact O-N 2.97Å; M680-W684 VanDerWaalsContact O-N 3.09Å; M680-M742 HydrophobicContact CB-CB 4.32Å; M680-M742 HydrophobicContact CB-CE 4.35Å; M680-R745 VanDerWaalsContact C-NH1 3.26Å; M680-R745 WeakPolarHBondContact O-CD 3.15Å; M680-R745 PolarHBondContact O-NH1 3.26Å
681V96.3Very high94.8Very high4 Ų439.2 Ų39.22%0.02420%0.195CC..Hα-helixtrans-60.4-36.4171.8-57.50000112.2I147 R149 A668 E670 L671 H677 C679 W684 A685I147-V681 HydrophobicContact CG2-CG2 3.83Å; R149-V681 HydrophobicContact CG-CG2 4.2Å; A668-V681 HydrophobicContact CB-CB 4.06Å; A668-V681 HydrophobicContact CB-CG1 4.05Å; E670-V681 HydrophobicContact CG-CG1 3.93Å; E670-V681 WeakPolarHBondContact OE1-CG1 3.41Å; L671-V681 HydrophobicContact CD1-CB 4.09Å; L671-V681 HydrophobicContact CD1-CG1 4.09Å; L671-V681 HydrophobicContact CD2-CG1 4Å; L671-V681 HydrophobicContact CG-CB 4.42Å; L671-V681 HydrophobicContact CG-CG1 3.86Å; H677-V681 HydrophobicContact CB-CG1 3.91Å; C679-V681 PolarHBondContact O-N 3.35Å; V681-W684 PolarHBondContact O-N 3.33Å; V681-A685 PolarHBondContact O-N 3.09Å
682D97.4Very high95.1Very high0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-74-33.5179.7-59.8-20.5000111.2L138 H142 I147 H148 R149 L151 C679 M680 A685 L686L138-D682 HydrophobicContact CD1-CB 3.97Å; L138-D682 HydrophobicContact CD2-CB 3.73Å; L138-D682 HydrophobicContact CG-CB 4.43Å; H142-D682 IonicContact CD2-OD2 3.56Å; H142-D682 IonicContact CE1-OD2 2.92Å; H142-D682 IonicContact NE2-OD2 3.97Å; H142-D682 PolarHBondContact NE2-OD2 3.14Å; I147-D682 WeakPolarHBondContact CG2-OD2 3.48Å; H148-D682 PolarHBondContact N-OD1 2.92Å; H148-D682 PolarHBondContact N-OD2 2.95Å; R149-D682 WeakPolarHBondContact CA-OD1 3.37Å; R149-D682 PolarHBondContact N-OD1 3.31Å; L151-D682 WeakPolarHBondContact CD2-O 3.49Å; C679-D682 PolarHBondContact O-N 3.06Å; M680-D682 VanDerWaalsContact C-N 3.27Å; M680-D682 PolarHBondContact O-N 3.24Å; D682-A685 PolarHBondContact O-N 2.73Å; D682-L686 PolarHBondContact O-N 3.42Å
683W98.3Very high95.4Very high9 Ų935.8 Ų35.83%0.03418%0.177CC..Hα-helixtrans-71.2-30.5176-65.6107.8000112.5A135 L138 D139 H142 M680 L686 G687 L737 A746 L748 L751A135-W683 HydrophobicContact CB-CH2 3.97Å; A135-W683 HydrophobicContact CB-CZ3 3.76Å; A135-W683 WeakPolarHBondContact O-CH2 3.29Å; L138-W683 HydrophobicContact CB-CH2 4.06Å; L138-W683 HydrophobicContact CB-CZ2 3.93Å; L138-W683 HydrophobicContact CD1-CD2 4.31Å; L138-W683 HydrophobicContact CD1-CE3 4.2Å; L138-W683 HydrophobicContact CD1-CH2 4.47Å; L138-W683 HydrophobicContact CD1-CZ3 4.27Å; D139-W683 HydrophobicContact CB-CZ2 4.4Å; H142-W683 AromaticContact CE1-CD1 3.68Å; H142-W683 AromaticContact CE1-CE2 3.87Å; H142-W683 AromaticContact CE1-NE1 3.15Å; H142-W683 PolarHBondContact CE1-NE1 2.91Å; H142-W683 AromaticContact ND1-CE2 3.94Å; H142-W683 AromaticContact ND1-NE1 3.17Å; H142-W683 PolarHBondContact ND1-NE1 2.91Å; H142-W683 VanDerWaalsContact ND1-NE1 3.17Å; M680-W683 PolarHBondContact O-N 2.79Å; M680-W683 HydrophobicContact SD-CG 4.4Å; W683-L686 HydrophobicContact CE3-CD2 3.62Å; W683-L686 HydrophobicContact CZ3-CD2 3.56Å; W683-G687 PolarHBondContact O-N 2.84Å; W683-L737 HydrophobicContact CB-CD2 4.43Å; W683-L737 HydrophobicContact CE3-CD2 4.3Å; W683-A746 WeakPolarHBondContact CB-O 3.3Å; W683-L748 HydrophobicContact CH2-CB 3.74Å; W683-L748 HydrophobicContact CZ2-CB 4.13Å; W683-L751 HydrophobicContact CE3-CD1 4.09Å; W683-L751 HydrophobicContact CZ3-CD1 3.63Å
684W98.2Very high95.8Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-63.8-51.3167.4174.3-83000111L667 A668 P669 M680 V681 L686 G687 V688 F700 I712 L738 M740L667-W684 PolarHBondContact O-NE1 2.73Å; A668-W684 VanDerWaalsContact CA-CD1 3.48Å; A668-W684 HydrophobicContact CB-CB 3.84Å; A668-W684 HydrophobicContact CB-CD2 4.36Å; A668-W684 HydrophobicContact CB-CG 3.76Å; P669-W684 HydrophobicContact CG-CE3 4.37Å; P669-W684 HydrophobicContact CG-CH2 4.15Å; P669-W684 HydrophobicContact CG-CZ3 4.05Å; M680-W684 PolarHBondContact O-N 2.97Å; M680-W684 VanDerWaalsContact O-N 3.09Å; V681-W684 PolarHBondContact O-N 3.33Å; W684-L686 PolarHBondContact O-N 3.42Å; W684-G687 WeakPolarHBondContact O-CA 2.96Å; W684-G687 PolarHBondContact O-N 2.77Å; W684-V688 PolarHBondContact O-N 3.36Å; W684-F700 HydrophobicContact CH2-CE2 4.32Å; W684-F700 HydrophobicContact CH2-CZ 4.03Å; W684-F700 HydrophobicContact CZ2-CD2 4.43Å; W684-F700 AromaticContact CZ2-CE2 3.45Å; W684-F700 HydrophobicContact CZ2-CE2 3.45Å; W684-F700 VanDerWaalsContact CZ2-CE2 3.45Å; W684-F700 AromaticContact CZ2-CZ 3.6Å; W684-F700 HydrophobicContact CZ2-CZ 3.6Å; W684-I712 HydrophobicContact CZ2-CG2 3.96Å; W684-L738 HydrophobicContact CD2-CD2 3.82Å; W684-L738 HydrophobicContact CE3-CB 4.43Å; W684-L738 HydrophobicContact CE3-CD2 4.14Å; W684-L738 HydrophobicContact CG-CD2 4.21Å; W684-L738 HydrophobicContact CH2-CB 4.43Å; W684-L738 HydrophobicContact CZ2-CD2 4.22Å; W684-L738 HydrophobicContact CZ3-CB 4.19Å; W684-L738 HydrophobicContact CZ3-CD2 4.48Å; W684-L738 VanDerWaalsContact CZ3-O 3.3Å; W684-L738 WeakPolarHBondContact CZ3-O 3.47Å; W684-L738 WeakPolarHBondContact O-CD2 3.39Å; W684-M740 HydrophobicContact CH2-SD 3.61Å; W684-M740 HydrophobicContact CZ3-SD 3.73Å
685A98Very high96.2Very high4 Ų425.3 Ų25.33%0.03314%0.137CC..Hα-helixtrans-60.2-31.3178.500000112.6L151 V681 D682 V688 C689L151-A685 HydrophobicContact CB-CB 3.86Å; L151-A685 HydrophobicContact CD2-CB 4.18Å; L151-A685 HydrophobicContact CG-CB 4.46Å; V681-A685 PolarHBondContact O-N 3.09Å; D682-A685 PolarHBondContact O-N 2.73Å; A685-V688 WeakPolarHBondContact O-CB 3.39Å; A685-V688 PolarHBondContact O-N 2.77Å; A685-C689 PolarHBondContact O-N 3.03Å; A685-C689 PolarHBondContact O-SG 3.19Å
686L98.4Very high96.4Very high0 Ų021 Ų210%012%0.124CC..Hα-helixtrans-64.3-38.4170.9-170.768.3000112.4I131 V134 A135 L138 L151 D682 W683 W684 C689 L690 L737 L751I131-L686 HydrophobicContact CD1-CD1 3.59Å; I131-L686 HydrophobicContact CD1-CG 4.23Å; I131-L686 HydrophobicContact CG2-CD1 4.07Å; I131-L686 HydrophobicContact CG2-CD2 4.18Å; I131-L686 HydrophobicContact CG2-CG 4.08Å; V134-L686 HydrophobicContact CB-CD1 3.84Å; V134-L686 HydrophobicContact CG1-CD1 3.5Å; V134-L686 VanDerWaalsContact CG1-CD1 3.5Å; A135-L686 HydrophobicContact CB-CD2 4.07Å; L138-L686 HydrophobicContact CD1-CB 4.3Å; L138-L686 HydrophobicContact CD1-CD2 4.33Å; L151-L686 HydrophobicContact CD2-CB 4.17Å; L151-L686 HydrophobicContact CD2-CD1 4.38Å; D682-L686 PolarHBondContact O-N 3.42Å; W683-L686 HydrophobicContact CE3-CD2 3.62Å; W683-L686 HydrophobicContact CZ3-CD2 3.56Å; W684-L686 PolarHBondContact O-N 3.42Å; L686-C689 PolarHBondContact O-N 2.94Å; L686-L690 WeakPolarHBondContact O-CB 3.47Å; L686-L690 PolarHBondContact O-N 3.47Å; L686-L737 HydrophobicContact CG-CD1 4.48Å; L686-L751 HydrophobicContact CD2-CD1 4Å
687G98.4Very high96.7Very high0 Ų018.5 Ų18.50%011%0.107CC..Hα-helixtrans-64.9-38173.400000113W683 W684 L690 F691W683-G687 PolarHBondContact O-N 2.84Å; W684-G687 WeakPolarHBondContact O-CA 2.96Å; W684-G687 PolarHBondContact O-N 2.77Å; G687-L690 PolarHBondContact O-N 3.42Å; G687-F691 PolarHBondContact O-N 2.92Å; G687-F691 VanDerWaalsContact O-N 3.1Å
688V98.4Very high97Very high0 Ų016.3 Ų16.30%010%0.098CC..Hα-helixtrans-61.7-47.4171.9177.90000110.1D665 Y666 W684 A685 L690 F691 E692 P698 F700 L738D665-V688 WeakPolarHBondContact O-CG1 3.43Å; Y666-V688 HydrophobicContact CD1-CB 4.12Å; Y666-V688 HydrophobicContact CD1-CG1 3.46Å; Y666-V688 VanDerWaalsContact CD1-CG1 3.46Å; Y666-V688 HydrophobicContact CE1-CG1 3.86Å; Y666-V688 HydrophobicContact CG-CG1 4.14Å; W684-V688 PolarHBondContact O-N 3.36Å; A685-V688 WeakPolarHBondContact O-CB 3.39Å; A685-V688 PolarHBondContact O-N 2.77Å; V688-L690 PolarHBondContact O-N 2.81Å; V688-F691 PolarHBondContact O-N 3.49Å; V688-E692 WeakPolarHBondContact O-CB 3.22Å; V688-E692 PolarHBondContact O-N 3.44Å; V688-P698 HydrophobicContact CG1-CB 4.12Å; V688-F700 HydrophobicContact CG2-CD2 4.28Å; V688-F700 HydrophobicContact CG2-CE2 4.07Å; V688-L738 HydrophobicContact CG2-CD2 3.79Å
689C98.4Very high97.2Very high0 Ų013 Ų130%08%0.08CC..Hα-helixtrans-63.4-38177.2-62.70000112.8I131 M156 A685 L686 E692 F693I131-C689 HydrophobicContact CD1-CB 3.98Å; M156-C689 HydrophobicContact CE-CB 4.14Å; M156-C689 VanDerWaalsContact CE-SG 3.58Å; A685-C689 PolarHBondContact O-N 3.03Å; A685-C689 PolarHBondContact O-SG 3.19Å; L686-C689 PolarHBondContact O-N 2.94Å; C689-E692 PolarHBondContact O-N 3.32Å; C689-F693 HydrophobicContact CB-CZ 4.48Å; C689-F693 WeakPolarHBondContact O-CB 3.46Å; C689-F693 WeakPolarHBondContact O-CD1 3.24Å; C689-F693 WeakPolarHBondContact O-CG 3.5Å; C689-F693 PolarHBondContact O-N 2.76Å
690L98.6Very high97.3Very high0 Ų011.5 Ų11.50%07%0.07CC..Hα-helixtrans-65.8-44.5177.9174.260.6000111.6A127 I131 L686 G687 V688 F693 L694 A733 I734 L737 L756A127-L690 HydrophobicContact CB-CD1 4.44Å; I131-L690 HydrophobicContact CD1-CB 3.95Å; I131-L690 HydrophobicContact CG1-CB 4.03Å; I131-L690 HydrophobicContact CG1-CD1 3.97Å; L686-L690 WeakPolarHBondContact O-CB 3.47Å; L686-L690 PolarHBondContact O-N 3.47Å; G687-L690 PolarHBondContact O-N 3.42Å; V688-L690 PolarHBondContact O-N 2.81Å; L690-F693 PolarHBondContact O-N 3.15Å; L690-L694 HydrophobicContact CD1-CD1 3.87Å; L690-L694 HydrophobicContact CD1-CG 4.36Å; L690-L694 HydrophobicContact CG-CD1 4.28Å; L690-L694 WeakPolarHBondContact O-CG 3.23Å; L690-L694 PolarHBondContact O-N 3.49Å; L690-A733 HydrophobicContact CD2-CB 3.85Å; L690-I734 HydrophobicContact CB-CG1 4.3Å; L690-I734 HydrophobicContact CD2-CG1 3.71Å; L690-I734 HydrophobicContact CG-CD1 4.32Å; L690-I734 HydrophobicContact CG-CG1 3.73Å; L690-L737 HydrophobicContact CD2-CD1 4.26Å; L690-L756 HydrophobicContact CD1-CD2 4.43Å; L690-L756 HydrophobicContact CD2-CD2 4.2Å
691F98.6Very high97.1Very high7 Ų713.5 Ų13.53%0.0318%0.082CC..Hα-helixtrans-62.4-46.4173.7-177.9-75.1000110.9G687 V688 F693 L694 T695 V697 P699 I717 P718 W719 I734G687-F691 PolarHBondContact O-N 2.92Å; G687-F691 VanDerWaalsContact O-N 3.1Å; V688-F691 PolarHBondContact O-N 3.49Å; F691-F693 VanDerWaalsContact C-N 3.34Å; F691-F693 PolarHBondContact O-N 3.17Å; F691-L694 PolarHBondContact O-N 3.07Å; F691-T695 HydrophobicContact CD1-CG2 4.15Å; F691-T695 VanDerWaalsContact CD1-OG1 3.28Å; F691-T695 WeakPolarHBondContact CD1-OG1 3.49Å; F691-T695 HydrophobicContact CE1-CG2 3.82Å; F691-T695 WeakPolarHBondContact CE1-OG1 3.19Å; F691-T695 HydrophobicContact CE2-CG2 4.38Å; F691-T695 HydrophobicContact CZ-CG2 3.95Å; F691-T695 PolarHBondContact O-N 3.33Å; F691-T695 PolarHBondContact O-OG1 3.39Å; F691-V697 WeakPolarHBondContact CD1-O 3.38Å; F691-V697 WeakPolarHBondContact CE1-O 3.33Å; F691-P699 HydrophobicContact CB-CB 4.44Å; F691-P699 HydrophobicContact CB-CG 4.06Å; F691-P699 HydrophobicContact CD1-CB 3.62Å; F691-P699 VanDerWaalsContact CD1-CD 3.44Å; F691-P699 HydrophobicContact CD1-CG 3.92Å; F691-P699 HydrophobicContact CD2-CB 3.98Å; F691-P699 HydrophobicContact CD2-CG 4.48Å; F691-P699 HydrophobicContact CE1-CB 3.74Å; F691-P699 HydrophobicContact CE2-CB 4.09Å; F691-P699 HydrophobicContact CG-CB 3.75Å; F691-P699 HydrophobicContact CG-CG 3.91Å; F691-P699 HydrophobicContact CZ-CB 3.98Å; F691-I717 HydrophobicContact CD2-CG2 4.04Å; F691-I717 HydrophobicContact CE2-CG2 3.59Å; F691-I717 HydrophobicContact CZ-CG2 4.34Å; F691-P718 HydrophobicContact CZ-CG 4.39Å; F691-P718 WeakPolarHBondContact CZ-O 3.5Å; F691-W719 HydrophobicContact CD2-CE3 4.49Å; F691-W719 HydrophobicContact CD2-CZ3 4.2Å; F691-W719 HydrophobicContact CE2-CE3 4.13Å; F691-W719 HydrophobicContact CE2-CZ3 4.3Å; F691-I734 HydrophobicContact CB-CD1 3.94Å; F691-I734 HydrophobicContact CB-CG1 4.35Å; F691-I734 HydrophobicContact CB-CG2 4.23Å; F691-I734 HydrophobicContact CD2-CD1 4.09Å; F691-I734 HydrophobicContact CD2-CG2 4.31Å; F691-I734 HydrophobicContact CG-CD1 4.45Å
692E97.9Very high96.9Very high0 Ų016 Ų160%010%0.095CC..Hα-helixtrans-62.1-38.3179.5-179.4-178.6-16600112.4K113 L116 P153 Y666 V688 C689 L694 G696 V697 P698K113-E692 IonicContact NZ-OE1 2.63Å; K113-E692 PolarHBondContact NZ-OE1 2.91Å; L116-E692 HydrophobicContact CD2-CG 3.67Å; P153-E692 WeakPolarHBondContact CD-OE2 3.45Å; P153-E692 VanDerWaalsContact CG-OE2 3.27Å; P153-E692 WeakPolarHBondContact CG-OE2 3.45Å; Y666-E692 WeakPolarHBondContact CE1-OE2 3.33Å; Y666-E692 PolarHBondContact OH-OE1 3.45Å; Y666-E692 PolarHBondContact OH-OE2 3.21Å; Y666-E692 VanDerWaalsContact OH-OE2 3.13Å; V688-E692 WeakPolarHBondContact O-CB 3.22Å; V688-E692 PolarHBondContact O-N 3.44Å; C689-E692 PolarHBondContact O-N 3.32Å; E692-L694 VanDerWaalsContact C-N 3.34Å; E692-L694 PolarHBondContact O-N 2.83Å; E692-G696 CarbonylContact O-C 3.43Å; E692-G696 WeakPolarHBondContact O-CA 3.32Å; E692-G696 PolarHBondContact O-N 2.68Å; E692-V697 WeakPolarHBondContact CA-O 3.12Å; E692-P698 HydrophobicContact CG-CG 4.21Å
693F98.3Very high96.4Very high0 Ų025.1 Ų25.10%014%0.138CC..Hα-helixtrans-63.7-40.4175-71.1-7.2000111.9V112 L116 F122 A127 I131 P153 M156 C689 L690 F691V112-F693 HydrophobicContact CG1-CE1 3.63Å; V112-F693 HydrophobicContact CG1-CZ 3.68Å; L116-F693 HydrophobicContact CD1-CD1 4.45Å; L116-F693 HydrophobicContact CD2-CD1 4.44Å; F122-F693 HydrophobicContact CD2-CB 3.83Å; F122-F693 AromaticContact CD2-CD1 3.93Å; F122-F693 HydrophobicContact CD2-CD1 3.93Å; F122-F693 HydrophobicContact CD2-CD2 4.18Å; F122-F693 AromaticContact CD2-CG 3.72Å; F122-F693 HydrophobicContact CD2-CG 3.72Å; F122-F693 AromaticContact CE2-CD1 3.8Å; F122-F693 HydrophobicContact CE2-CD1 3.8Å; F122-F693 HydrophobicContact CE2-CD2 4.47Å; F122-F693 HydrophobicContact CE2-CE1 4.05Å; F122-F693 HydrophobicContact CE2-CG 4.04Å; F122-F693 HydrophobicContact CE2-CZ 4.5Å; F122-F693 PolarHBondContact N-O 2.82Å; A127-F693 HydrophobicContact CB-CB 3.82Å; A127-F693 HydrophobicContact CB-CD2 4.36Å; I131-F693 HydrophobicContact CD1-CD2 3.86Å; I131-F693 HydrophobicContact CD1-CE2 3.68Å; I131-F693 HydrophobicContact CG1-CD2 3.77Å; I131-F693 HydrophobicContact CG1-CE2 3.89Å; P153-F693 HydrophobicContact CB-CE1 4.16Å; P153-F693 HydrophobicContact CG-CE1 3.8Å; M156-F693 HydrophobicContact SD-CZ 3.87Å; C689-F693 HydrophobicContact CB-CZ 4.48Å; C689-F693 WeakPolarHBondContact O-CB 3.46Å; C689-F693 WeakPolarHBondContact O-CD1 3.24Å; C689-F693 WeakPolarHBondContact O-CG 3.5Å; C689-F693 PolarHBondContact O-N 2.76Å; L690-F693 PolarHBondContact O-N 3.15Å; F691-F693 VanDerWaalsContact C-N 3.34Å; F691-F693 PolarHBondContact O-N 3.17Å
694L98Very high96Very high18 Ų1827.5 Ų27.59%0.09415%0.154CC..Hα-helixtrans-80.6-18.4-176.9-66.6169.4000114.2E124 A127 L690 F691 E692 L726 S730 I734E124-L694 HydrophobicContact CB-CD2 4.31Å; A127-L694 HydrophobicContact CB-CD2 3.75Å; A127-L694 HydrophobicContact CB-CG 4.1Å; L690-L694 HydrophobicContact CD1-CD1 3.87Å; L690-L694 HydrophobicContact CD1-CG 4.36Å; L690-L694 HydrophobicContact CG-CD1 4.28Å; L690-L694 WeakPolarHBondContact O-CG 3.23Å; L690-L694 PolarHBondContact O-N 3.49Å; F691-L694 PolarHBondContact O-N 3.07Å; E692-L694 VanDerWaalsContact C-N 3.34Å; E692-L694 PolarHBondContact O-N 2.83Å; L694-L726 HydrophobicContact CB-CD1 4.44Å; L694-L726 HydrophobicContact CB-CD2 3.84Å; L694-L726 HydrophobicContact CD1-CD1 4.44Å; L694-S730 WeakPolarHBondContact CD1-OG 3.35Å; L694-I734 HydrophobicContact CD1-CD1 4.18Å
695T96.4Very high95.6Very high42 Ų4230.4 Ų30.426%0.25817%0.172SC..Hα-helixtrans-124.3-11.9-174.162.50000114.5F691 V697 P720 L726F691-T695 HydrophobicContact CD1-CG2 4.15Å; F691-T695 VanDerWaalsContact CD1-OG1 3.28Å; F691-T695 WeakPolarHBondContact CD1-OG1 3.49Å; F691-T695 HydrophobicContact CE1-CG2 3.82Å; F691-T695 WeakPolarHBondContact CE1-OG1 3.19Å; F691-T695 HydrophobicContact CE2-CG2 4.38Å; F691-T695 HydrophobicContact CZ-CG2 3.95Å; F691-T695 PolarHBondContact O-N 3.33Å; F691-T695 PolarHBondContact O-OG1 3.39Å; T695-V697 VanDerWaalsContact C-N 3.31Å; T695-V697 PolarHBondContact O-N 2.78Å; T695-V697 PolarHBondContact OG1-O 3.21Å; T695-V697 VanDerWaalsContact OG1-O 3.09Å; T695-P720 HydrophobicContact CG2-CG 4.39Å; T695-L726 HydrophobicContact CG2-CD1 4.23Å; T695-L726 HydrophobicContact CG2-CD2 4.21Å
696G94.4Very high95.3Very high22 Ų2236.4 Ų36.423%0.22720%0.199CC..SBendtrans82.5-8.2-176.400000115.8G120 E692G120-G696 WeakPolarHBondContact O-CA 3.28Å; E692-G696 CarbonylContact O-C 3.43Å; E692-G696 WeakPolarHBondContact O-CA 3.32Å; E692-G696 PolarHBondContact O-N 2.68Å
697V93.8Very high94.9Very high74 Ų7439.2 Ų39.245%0.44821%0.214SC..SBendtrans-139.1139.7-174.3-173.90000110.6F691 E692 T695 N701F691-V697 WeakPolarHBondContact CD1-O 3.38Å; F691-V697 WeakPolarHBondContact CE1-O 3.33Å; E692-V697 WeakPolarHBondContact CA-O 3.12Å; T695-V697 VanDerWaalsContact C-N 3.31Å; T695-V697 PolarHBondContact O-N 2.78Å; T695-V697 PolarHBondContact OG1-O 3.21Å; T695-V697 VanDerWaalsContact OG1-O 3.09Å; V697-N701 HydrophobicContact CG1-CB 4.11Å
698P96.4Very high94.7Very high10 Ų1039.4 Ų39.47%0.06522%0.215CC..  trans-60.9142174.3-21.431.9000112.3D665 V688 E692 F700 N701D665-P698 HydrophobicContact CB-CB 4.05Å; D665-P698 HydrophobicContact CB-CG 4.39Å; V688-P698 HydrophobicContact CG1-CB 4.12Å; E692-P698 HydrophobicContact CG-CG 4.21Å; P698-F700 PolarHBondContact O-N 2.87Å; P698-F700 VanDerWaalsContact O-N 3.13Å; P698-N701 HydrophobicContact CB-CB 4.07Å; P698-N701 HydrophobicContact CG-CB 4.3Å; P698-N701 WeakPolarHBondContact O-CB 3.37Å; P698-N701 PolarHBondContact O-N 3.13Å
699P96.5Very high94.5Very high5 Ų541.5 Ų41.53%0.03223%0.225CC..THydrogen-bonded Turntrans-63.2-24.2-174.123.5-32.3000114.1F691 I717 P718 L738F691-P699 HydrophobicContact CB-CB 4.44Å; F691-P699 HydrophobicContact CB-CG 4.06Å; F691-P699 HydrophobicContact CD1-CB 3.62Å; F691-P699 VanDerWaalsContact CD1-CD 3.44Å; F691-P699 HydrophobicContact CD1-CG 3.92Å; F691-P699 HydrophobicContact CD2-CB 3.98Å; F691-P699 HydrophobicContact CD2-CG 4.48Å; F691-P699 HydrophobicContact CE1-CB 3.74Å; F691-P699 HydrophobicContact CE2-CB 4.09Å; F691-P699 HydrophobicContact CG-CB 3.75Å; F691-P699 HydrophobicContact CG-CG 3.91Å; F691-P699 HydrophobicContact CZ-CB 3.98Å; P699-I717 HydrophobicContact CB-CG2 4.08Å; P699-P718 WeakPolarHBondContact O-CD 3.38Å; P699-L738 HydrophobicContact CG-CD1 4.14Å
700F96.3Very high94.3Very high0 Ų046.6 Ų46.60%025%0.248CC..THydrogen-bonded Turntrans-1051.5-176.4-51.6-61.6000113.8W684 V688 P698 D702 V708 N711 I712 D716 I717 L738W684-F700 HydrophobicContact CH2-CE2 4.32Å; W684-F700 HydrophobicContact CH2-CZ 4.03Å; W684-F700 HydrophobicContact CZ2-CD2 4.43Å; W684-F700 AromaticContact CZ2-CE2 3.45Å; W684-F700 HydrophobicContact CZ2-CE2 3.45Å; W684-F700 VanDerWaalsContact CZ2-CE2 3.45Å; W684-F700 AromaticContact CZ2-CZ 3.6Å; W684-F700 HydrophobicContact CZ2-CZ 3.6Å; V688-F700 HydrophobicContact CG2-CD2 4.28Å; V688-F700 HydrophobicContact CG2-CE2 4.07Å; P698-F700 PolarHBondContact O-N 2.87Å; P698-F700 VanDerWaalsContact O-N 3.13Å; F700-D702 PolarHBondContact O-N 3.4Å; F700-V708 HydrophobicContact CB-CG1 4.38Å; F700-V708 WeakPolarHBondContact O-CA 3.25Å; F700-V708 WeakPolarHBondContact O-CG2 3.43Å; F700-N711 HydrophobicContact CB-CB 4.23Å; F700-N711 HydrophobicContact CD1-CB 4.13Å; F700-I712 HydrophobicContact CB-CD1 4.37Å; F700-I712 HydrophobicContact CB-CG1 3.7Å; F700-I712 HydrophobicContact CD1-CG1 4.15Å; F700-I712 HydrophobicContact CD2-CD1 4.47Å; F700-I712 HydrophobicContact CD2-CG1 3.58Å; F700-I712 HydrophobicContact CE2-CG1 4.23Å; F700-I712 HydrophobicContact CG-CG1 3.53Å; F700-D716 WeakPolarHBondContact CD1-O 3.44Å; F700-D716 WeakPolarHBondContact CE1-O 3.29Å; F700-I717 HydrophobicContact CE1-CG1 3.79Å; F700-I717 HydrophobicContact CZ-CD1 4.49Å; F700-I717 HydrophobicContact CZ-CG1 4.1Å; F700-L738 HydrophobicContact CE2-CD1 4.19Å; F700-L738 HydrophobicContact CE2-CD2 4.26Å; F700-L738 HydrophobicContact CZ-CD1 4.05Å
701N92.6Very high94.1Very high88 Ų8847.6 Ų47.647%0.47125%0.254SS..  trans-66.1128.3-174.1167.2111.7000112.1D665 V697 P698D665-N701 VanDerWaalsContact OD1-CA 3.23Å; D665-N701 WeakPolarHBondContact OD1-CA 3.37Å; D665-N701 WeakPolarHBondContact OD1-CB 3.39Å; V697-N701 HydrophobicContact CG1-CB 4.11Å; P698-N701 HydrophobicContact CB-CB 4.07Å; P698-N701 HydrophobicContact CG-CB 4.3Å; P698-N701 WeakPolarHBondContact O-CB 3.37Å; P698-N701 PolarHBondContact O-N 3.13Å
702D90.8Very high94Very high58 Ų5847.3 Ų47.331%0.3125%0.252SS..  trans-148.9171.7-173.3-144.9-43.3000112.1F700 T704 L707 V708 N711F700-D702 PolarHBondContact O-N 3.4Å; D702-T704 PolarHBondContact O-N 3.25Å; D702-L707 HydrophobicContact CB-CB 4.2Å; D702-L707 HydrophobicContact CB-CG 4.38Å; D702-L707 WeakPolarHBondContact OD1-CD2 3.42Å; D702-L707 WeakPolarHBondContact OD2-CD2 3.28Å; D702-L707 VanDerWaalsContact OD2-CG 3.3Å; D702-L707 WeakPolarHBondContact OD2-CG 3.35Å; D702-V708 HydrophobicContact CB-CG2 3.85Å; D702-N711 PolarHBondContact OD2-ND2 3.41Å
703E87.8Confident93.9Very high190 Ų19050.5 Ų50.589%0.88827%0.269SS*.SBendtrans-61.3-25.5-175.8-66.9-164.6162.900114.1
704T89.9Confident93.7Very high60 Ų6055.6 Ų55.637%0.36830%0.297SS..SBendtrans-137.3142.4-177.767.20000112.2D702 Q706 L707 V708D702-T704 PolarHBondContact O-N 3.25Å; T704-Q706 PolarHBondContact O-N 2.84Å; T704-Q706 VanDerWaalsContact O-N 3.12Å; T704-L707 PolarHBondContact O-N 3.09Å; T704-L707 WeakPolarHBondContact OG1-CB 3.41Å; T704-L707 PolarHBondContact OG1-N 3.29Å; T704-V708 PolarHBondContact O-N 3.15Å
705P90Very high93.7Very high60 Ų6058.2 Ų58.239%0.3931%0.305SS..Hα-helixtrans-56.8-28.8177-27.235.6000114.1P664 F709P664-P705 HydrophobicContact CG-CB 4.28Å; P705-F709 WeakPolarHBondContact O-CB 3.41Å; P705-F709 WeakPolarHBondContact O-CD1 3.12Å; P705-F709 WeakPolarHBondContact O-CG 3.29Å; P705-F709 PolarHBondContact O-N 3.31Å
706Q90.6Very high93.6Very high130 Ų13060.8 Ų60.861%0.60732%0.317SS*.Hα-helixtrans-65.7-38.6175.8-66.6777.100111.7T704 Q710T704-Q706 PolarHBondContact O-N 2.84Å; T704-Q706 VanDerWaalsContact O-N 3.12Å; Q706-Q710 PolarHBondContact O-N 3.09Å; Q706-Q710 VanDerWaalsContact O-N 3.1Å
707L91.9Very high93.6Very high60 Ų6060.3 Ų60.331%0.31431%0.31SS..Hα-helixtrans-77.9-38.5178.1-158.555.3000110.8D702 T704 F709 Q710 N711D702-L707 HydrophobicContact CB-CB 4.2Å; D702-L707 HydrophobicContact CB-CG 4.38Å; D702-L707 WeakPolarHBondContact OD1-CD2 3.42Å; D702-L707 WeakPolarHBondContact OD2-CD2 3.28Å; D702-L707 VanDerWaalsContact OD2-CG 3.3Å; D702-L707 WeakPolarHBondContact OD2-CG 3.35Å; T704-L707 PolarHBondContact O-N 3.09Å; T704-L707 WeakPolarHBondContact OG1-CB 3.41Å; T704-L707 PolarHBondContact OG1-N 3.29Å; L707-F709 VanDerWaalsContact C-N 3.28Å; L707-F709 PolarHBondContact O-N 3.31Å; L707-Q710 HydrophobicContact CD1-CB 4.37Å; L707-Q710 WeakPolarHBondContact O-CA 3.29Å; L707-Q710 WeakPolarHBondContact O-CB 3.4Å; L707-Q710 PolarHBondContact O-N 3.18Å; L707-N711 PolarHBondContact O-N 3.01Å; L707-N711 PolarHBondContact O-ND2 3.1Å; L707-N711 PolarHBondContact O-OD1 3.46Å
708V93.6Very high93.6Very high3 Ų360.8 Ų60.82%0.01831%0.314CS..Hα-helixtrans-52.5-45.4166.9176.80000111.4P664 F700 D702 T704 N711 I712P664-V708 HydrophobicContact CB-CG1 4.02Å; P664-V708 HydrophobicContact CG-CG1 4.25Å; F700-V708 HydrophobicContact CB-CG1 4.38Å; F700-V708 WeakPolarHBondContact O-CA 3.25Å; F700-V708 WeakPolarHBondContact O-CG2 3.43Å; D702-V708 HydrophobicContact CB-CG2 3.85Å; T704-V708 PolarHBondContact O-N 3.15Å; V708-N711 PolarHBondContact O-N 3.28Å; V708-I712 HydrophobicContact CG1-CD1 3.88Å; V708-I712 WeakPolarHBondContact O-CG1 3.13Å; V708-I712 PolarHBondContact O-N 3.17Å
709F93.8Very high93.6Very high45 Ų4562.9 Ų62.920%0.19732%0.321CS..Hα-helixtrans-64.1-39.4175.5-67.8-11.4000113I660 P664 L667 L672 P705 L707 I712 L713I660-F709 HydrophobicContact CB-CZ 4.48Å; I660-F709 HydrophobicContact CD1-CE2 3.74Å; I660-F709 HydrophobicContact CD1-CZ 3.57Å; I660-F709 HydrophobicContact CG1-CE2 4.26Å; I660-F709 HydrophobicContact CG1-CZ 3.86Å; I660-F709 HydrophobicContact CG2-CE1 4.36Å; I660-F709 HydrophobicContact CG2-CZ 3.8Å; P664-F709 HydrophobicContact CB-CD1 4.2Å; P664-F709 HydrophobicContact CB-CE1 3.57Å; P664-F709 HydrophobicContact CB-CZ 4.42Å; L667-F709 HydrophobicContact CD1-CE1 4.36Å; L672-F709 HydrophobicContact CD1-CB 4.07Å; L672-F709 HydrophobicContact CD1-CD1 3.7Å; L672-F709 HydrophobicContact CD1-CE1 4.39Å; L672-F709 HydrophobicContact CD1-CG 4.03Å; L672-F709 HydrophobicContact CD2-CD1 3.54Å; L672-F709 HydrophobicContact CD2-CE1 3.34Å; L672-F709 HydrophobicContact CD2-CG 4.22Å; L672-F709 HydrophobicContact CD2-CZ 3.87Å; L672-F709 HydrophobicContact CG-CD1 4.28Å; P705-F709 WeakPolarHBondContact O-CB 3.41Å; P705-F709 WeakPolarHBondContact O-CD1 3.12Å; P705-F709 WeakPolarHBondContact O-CG 3.29Å; P705-F709 PolarHBondContact O-N 3.31Å; L707-F709 VanDerWaalsContact C-N 3.28Å; L707-F709 PolarHBondContact O-N 3.31Å; F709-I712 PolarHBondContact O-N 3.13Å; F709-L713 WeakPolarHBondContact O-CB 3.14Å; F709-L713 WeakPolarHBondContact O-CG 3.48Å; F709-L713 PolarHBondContact O-N 3.07Å
710Q93.9Very high93.5Very high106 Ų10663.8 Ų63.850%0.49533%0.327SS..Hα-helixtrans-63.6-43175.2179.3172.4-39.200111.1Q706 L707 L713 N714Q706-Q710 PolarHBondContact O-N 3.09Å; Q706-Q710 VanDerWaalsContact O-N 3.1Å; L707-Q710 HydrophobicContact CD1-CB 4.37Å; L707-Q710 WeakPolarHBondContact O-CA 3.29Å; L707-Q710 WeakPolarHBondContact O-CB 3.4Å; L707-Q710 PolarHBondContact O-N 3.18Å; Q710-L713 PolarHBondContact O-N 3.39Å; Q710-N714 VanDerWaalsContact O-CB 3.31Å; Q710-N714 WeakPolarHBondContact O-CB 3.39Å; Q710-N714 VanDerWaalsContact O-CG 3.29Å; Q710-N714 PolarHBondContact O-N 3.49Å; Q710-N714 PolarHBondContact O-ND2 2.81Å
711N95.3Very high93.3Very high22 Ų2272 Ų7212%0.11837%0.365CS..Hα-helixtrans-63.5-44.6178.3-59.1-12.7000110.6F700 D702 L707 V708 R715 D716F700-N711 HydrophobicContact CB-CB 4.23Å; F700-N711 HydrophobicContact CD1-CB 4.13Å; D702-N711 PolarHBondContact OD2-ND2 3.41Å; L707-N711 PolarHBondContact O-N 3.01Å; L707-N711 PolarHBondContact O-ND2 3.1Å; L707-N711 PolarHBondContact O-OD1 3.46Å; V708-N711 PolarHBondContact O-N 3.28Å; N711-R715 WeakPolarHBondContact O-CA 3.3Å; N711-R715 PolarHBondContact O-N 2.9Å; N711-D716 PolarHBondContact O-N 2.89Å
712I96.1Very high93.3Very high0 Ų070.7 Ų70.70%037%0.373CS..Hα-helixtrans-60-46.7173-70163000111.9P664 P669 L672 W684 F700 V708 F709 R715 M740P664-I712 VanDerWaalsContact O-CD1 3.29Å; P664-I712 WeakPolarHBondContact O-CD1 3.22Å; P669-I712 HydrophobicContact CB-CG2 4.11Å; L672-I712 HydrophobicContact CD1-CB 3.89Å; L672-I712 HydrophobicContact CD1-CD1 4.04Å; L672-I712 HydrophobicContact CD1-CG2 3.55Å; W684-I712 HydrophobicContact CZ2-CG2 3.96Å; F700-I712 HydrophobicContact CB-CD1 4.37Å; F700-I712 HydrophobicContact CB-CG1 3.7Å; F700-I712 HydrophobicContact CD1-CG1 4.15Å; F700-I712 HydrophobicContact CD2-CD1 4.47Å; F700-I712 HydrophobicContact CD2-CG1 3.58Å; F700-I712 HydrophobicContact CE2-CG1 4.23Å; F700-I712 HydrophobicContact CG-CG1 3.53Å; V708-I712 HydrophobicContact CG1-CD1 3.88Å; V708-I712 WeakPolarHBondContact O-CG1 3.13Å; V708-I712 PolarHBondContact O-N 3.17Å; F709-I712 PolarHBondContact O-N 3.13Å; I712-R715 PolarHBondContact O-N 3.1Å; I712-M740 WeakPolarHBondContact O-CE 3.4Å
713L95.1Very high93.2Very high67 Ų6778 Ų7835%0.35141%0.405SS..Hα-helixtrans-72.3-32.9-175.7-71.6173.4000113.2P669 L672 L673 F709 Q710 R715 M740P669-L713 HydrophobicContact CB-CD2 4.18Å; L672-L713 HydrophobicContact CD1-CG 4.36Å; L673-L713 HydrophobicContact CD1-CD2 3.94Å; L673-L713 HydrophobicContact CD2-CD1 4.46Å; L673-L713 HydrophobicContact CD2-CD2 3.85Å; L673-L713 HydrophobicContact CG-CD2 3.74Å; F709-L713 WeakPolarHBondContact O-CB 3.14Å; F709-L713 WeakPolarHBondContact O-CG 3.48Å; F709-L713 PolarHBondContact O-N 3.07Å; Q710-L713 PolarHBondContact O-N 3.39Å; L713-R715 VanDerWaalsContact C-N 3.32Å; L713-M740 VanDerWaalsContact O-CE 3.29Å; L713-M740 WeakPolarHBondContact O-CE 3.44Å
714N95.5Very high93.3Very high108 Ų10876.1 Ų76.158%0.57840%0.396SS*.Hα-helixtrans-79.7-16.5172.5-68.8-18.4000112.6Q710 D716Q710-N714 VanDerWaalsContact O-CB 3.31Å; Q710-N714 WeakPolarHBondContact O-CB 3.39Å; Q710-N714 VanDerWaalsContact O-CG 3.29Å; Q710-N714 PolarHBondContact O-N 3.49Å; Q710-N714 PolarHBondContact O-ND2 2.81Å; N714-D716 VanDerWaalsContact C-N 3.27Å; N714-D716 HydrophobicContact CB-CB 4.47Å
715R96.2Very high93.4Very high72 Ų7278.5 Ų78.527%0.27240%0.403SS..THydrogen-bonded Turntrans56.342.1-166.9-162.3-158.3164.2147.310.7111.7N711 I712 L713 I717 E735 L738 M740N711-R715 WeakPolarHBondContact O-CA 3.3Å; N711-R715 PolarHBondContact O-N 2.9Å; I712-R715 PolarHBondContact O-N 3.1Å; L713-R715 VanDerWaalsContact C-N 3.32Å; R715-I717 HydrophobicContact CG-CD1 4.17Å; R715-I717 PolarHBondContact O-N 3.34Å; R715-E735 VanDerWaalsContact NH2-CA 3.31Å; R715-E735 PolarHBondContact NH2-O 3.26Å; R715-L738 PolarHBondContact NE-O 3.41Å; R715-L738 VanDerWaalsContact NE-O 3.13Å; R715-L738 PolarHBondContact NH1-O 3.08Å; R715-L738 PolarHBondContact NH2-O 3.38Å; R715-M740 HydrophobicContact CB-CG 4.26Å; R715-M740 HydrophobicContact CB-SD 3.82Å; R715-M740 HydrophobicContact CG-CG 4.47Å; R715-M740 HydrophobicContact CG-SD 4.09Å
716D94.3Very high93.6Very high96 Ų9676.5 Ų76.551%0.51339%0.389SS..  trans-76.6121.1174.7-155.2-10.6000108.8F700 N711 N714F700-D716 WeakPolarHBondContact CD1-O 3.44Å; F700-D716 WeakPolarHBondContact CE1-O 3.29Å; N711-D716 PolarHBondContact O-N 2.89Å; N714-D716 VanDerWaalsContact C-N 3.27Å; N714-D716 HydrophobicContact CB-CB 4.47Å
717I95.6Very high93.9Very high13 Ų1373.5 Ų73.57%0.06738%0.381CS..  trans-129.8114.8-174-62.4170.7000107.5F691 P699 F700 R715 W719 L738F691-I717 HydrophobicContact CD2-CG2 4.04Å; F691-I717 HydrophobicContact CE2-CG2 3.59Å; F691-I717 HydrophobicContact CZ-CG2 4.34Å; P699-I717 HydrophobicContact CB-CG2 4.08Å; F700-I717 HydrophobicContact CE1-CG1 3.79Å; F700-I717 HydrophobicContact CZ-CD1 4.49Å; F700-I717 HydrophobicContact CZ-CG1 4.1Å; R715-I717 HydrophobicContact CG-CD1 4.17Å; R715-I717 PolarHBondContact O-N 3.34Å; I717-W719 VanDerWaalsContact C-N 3.28Å; I717-W719 HydrophobicContact CB-CZ2 4.29Å; I717-W719 HydrophobicContact CD1-CZ2 4Å; I717-W719 HydrophobicContact CG2-CD2 3.81Å; I717-W719 HydrophobicContact CG2-CE3 4.23Å; I717-W719 HydrophobicContact CG2-CG 4.27Å; I717-W719 HydrophobicContact CG2-CH2 4.21Å; I717-W719 HydrophobicContact CG2-CZ2 3.77Å; I717-W719 HydrophobicContact CG2-CZ3 4.4Å; I717-W719 PolarHBondContact O-N 3.05Å; I717-L738 HydrophobicContact CD1-CB 4.38Å; I717-L738 HydrophobicContact CD1-CD1 3.84Å
718P94.4Very high94.1Very high84 Ų8476.2 Ų76.255%0.54540%0.4SS..  trans-77.578.6179.632.5-34.1000109.7F691 P699F691-P718 HydrophobicContact CZ-CG 4.39Å; F691-P718 WeakPolarHBondContact CZ-O 3.5Å; P699-P718 WeakPolarHBondContact O-CD 3.38Å
719W95.6Very high94.3Very high53 Ų5378.9 Ų78.920%0.20141%0.414CS..  trans-60.4130.9174.2-60.3102.4000110.2F691 I717 L726 R731 I734 E735F691-W719 HydrophobicContact CD2-CE3 4.49Å; F691-W719 HydrophobicContact CD2-CZ3 4.2Å; F691-W719 HydrophobicContact CE2-CE3 4.13Å; F691-W719 HydrophobicContact CE2-CZ3 4.3Å; I717-W719 VanDerWaalsContact C-N 3.28Å; I717-W719 HydrophobicContact CB-CZ2 4.29Å; I717-W719 HydrophobicContact CD1-CZ2 4Å; I717-W719 HydrophobicContact CG2-CD2 3.81Å; I717-W719 HydrophobicContact CG2-CE3 4.23Å; I717-W719 HydrophobicContact CG2-CG 4.27Å; I717-W719 HydrophobicContact CG2-CH2 4.21Å; I717-W719 HydrophobicContact CG2-CZ2 3.77Å; I717-W719 HydrophobicContact CG2-CZ3 4.4Å; I717-W719 PolarHBondContact O-N 3.05Å; W719-L726 HydrophobicContact CE3-CD1 4.38Å; W719-L726 HydrophobicContact CZ3-CD1 4.31Å; W719-R731 HydrophobicContact CD2-CG 4.5Å; W719-R731 HydrophobicContact CE3-CG 4.06Å; W719-R731 HydrophobicContact CH2-CG 3.89Å; W719-R731 HydrophobicContact CZ2-CG 4.35Å; W719-R731 HydrophobicContact CZ3-CB 4.21Å; W719-R731 HydrophobicContact CZ3-CG 3.76Å; W719-I734 HydrophobicContact CH2-CB 3.94Å; W719-I734 HydrophobicContact CH2-CG2 3.66Å; W719-I734 HydrophobicContact CZ3-CB 4.29Å; W719-I734 HydrophobicContact CZ3-CD1 4.12Å; W719-I734 HydrophobicContact CZ3-CG2 4.16Å; W719-E735 HydrophobicContact CH2-CG 3.97Å; W719-E735 HydrophobicContact CZ2-CG 3.82Å
720P94.1Very high94.4Very high25 Ų2576.7 Ų76.716%0.16240%0.404CS..  trans-68.9148.3172.630.7-35.3000110.3T695 E724 L726T695-P720 HydrophobicContact CG2-CG 4.39Å; P720-E724 HydrophobicContact CB-CB 4.05Å; P720-E724 VanDerWaalsContact CB-O 3.31Å; P720-E724 WeakPolarHBondContact CB-O 3.47Å; P720-E724 WeakPolarHBondContact CG-O 3.45Å; P720-L726 HydrophobicContact CG-CD2 4.23Å; P720-L726 HydrophobicContact CG-CG 3.78Å
721E92.6Very high94.6Very high172 Ų17275.3 Ų75.380%0.80440%0.395SS*.  trans-124.5153-174.5-60.6-171.9163.300111
722G92.8Very high94.7Very high61 Ų6177.4 Ų77.463%0.62941%0.406SS*.G310 helixtrans77.1-127.7175.600000113E724 E725G722-E724 PolarHBondContact O-N 3.09Å; G722-E725 WeakPolarHBondContact O-CB 3.38Å; G722-E725 PolarHBondContact O-N 2.85Å
723E88.1Confident94.8Very high212 Ų21277.4 Ų77.499%0.99141%0.406SS*.G310 helixtrans-69.6-16.5-176.1-63.6-175.2-174.100113.5
724E89.8Confident94.9Very high150 Ų15074.2 Ų74.270%0.70139%0.389SS*.G310 helixtrans-1026.3177.4-62.6179.3178.700112.8P720 G722 L726P720-E724 HydrophobicContact CB-CB 4.05Å; P720-E724 VanDerWaalsContact CB-O 3.31Å; P720-E724 WeakPolarHBondContact CB-O 3.47Å; P720-E724 WeakPolarHBondContact CG-O 3.45Å; G722-E724 PolarHBondContact O-N 3.09Å; E724-L726 PolarHBondContact O-N 3.34Å
725E93.2Very high95Very high110 Ų11071.8 Ų71.851%0.51437%0.374SS..PPolyproline II helixtrans-61.4126.7-177.4-177.3172.4-165.300112.5G722 R731G722-E725 WeakPolarHBondContact O-CB 3.38Å; G722-E725 PolarHBondContact O-N 2.85Å; E725-R731 IonicContact OE1-NH1 3.12Å
726L94.3Very high95.1Very high17 Ų1770.4 Ų70.49%0.08937%0.372CS..PPolyproline II helixtrans-65.1135.9178.5-63-174.6000111.4L694 T695 W719 P720 E724 V728 I734L694-L726 HydrophobicContact CB-CD1 4.44Å; L694-L726 HydrophobicContact CB-CD2 3.84Å; L694-L726 HydrophobicContact CD1-CD1 4.44Å; T695-L726 HydrophobicContact CG2-CD1 4.23Å; T695-L726 HydrophobicContact CG2-CD2 4.21Å; W719-L726 HydrophobicContact CE3-CD1 4.38Å; W719-L726 HydrophobicContact CZ3-CD1 4.31Å; P720-L726 HydrophobicContact CG-CD2 4.23Å; P720-L726 HydrophobicContact CG-CG 3.78Å; E724-L726 PolarHBondContact O-N 3.34Å; L726-V728 PolarHBondContact O-N 2.97Å; L726-I734 HydrophobicContact CD1-CD1 3.85Å
727P95.4Very high95.3Very high68 Ų6865.9 Ų65.944%0.44235%0.347SS..PPolyproline II helixtrans-52.3142.8175.2-29.337.2000112.7E124 N729 S730 R731E124-P727 WeakPolarHBondContact OE2-CB 3.34Å; E124-P727 VanDerWaalsContact OE2-CG 3.31Å; E124-P727 WeakPolarHBondContact OE2-CG 3.48Å; P727-N729 CarbonylContact O-C 3.59Å; P727-N729 PolarHBondContact O-N 3.38Å; P727-S730 WeakPolarHBondContact O-CA 3.48Å; P727-S730 WeakPolarHBondContact O-CB 3.38Å; P727-S730 PolarHBondContact O-N 2.77Å; P727-R731 PolarHBondContact O-N 3.42Å
728V96.2Very high95.4Very high117 Ų11765.2 Ų65.271%0.70934%0.344SS*.Hα-helixtrans-53.8-33.2-173.5-177.90000112.7L726 N732L726-V728 PolarHBondContact O-N 2.97Å; V728-N732 VanDerWaalsContact O-CB 3.29Å; V728-N732 WeakPolarHBondContact O-CB 3.23Å; V728-N732 PolarHBondContact O-N 3.06Å
729N97.3Very high95.6Very high58 Ų5862.6 Ų62.631%0.3133%0.326SS..Hα-helixtrans-65.9-51.1173.2-68-22.3000111.6P727 R731 N732 A733 H754 R755 L756P727-N729 CarbonylContact O-C 3.59Å; P727-N729 PolarHBondContact O-N 3.38Å; N729-R731 PolarHBondContact O-N 3.23Å; N729-N732 PolarHBondContact O-N 3.09Å; N729-A733 WeakPolarHBondContact O-CB 3.31Å; N729-A733 PolarHBondContact O-N 3.27Å; N729-H754 PolarHBondContact O-CE1 2.91Å; N729-R755 WeakPolarHBondContact OD1-CB 3.13Å; N729-L756 HydrophobicContact CB-CB 4.14Å; N729-L756 HydrophobicContact CB-CD1 4.28Å
730S97.3Very high95.6Very high0 Ų063.3 Ų63.30%033%0.333CS..Hα-helixtrans-57.8-48176.2-87.40000112.5E124 L694 P727 N732 A733 I734 L756E124-S730 VanDerWaalsContact CD-OG 3.28Å; E124-S730 VanDerWaalsContact OE2-CB 3.31Å; E124-S730 WeakPolarHBondContact OE2-CB 3.34Å; E124-S730 PolarHBondContact OE2-OG 3.02Å; L694-S730 WeakPolarHBondContact CD1-OG 3.35Å; P727-S730 WeakPolarHBondContact O-CA 3.48Å; P727-S730 WeakPolarHBondContact O-CB 3.38Å; P727-S730 PolarHBondContact O-N 2.77Å; S730-N732 VanDerWaalsContact C-N 3.35Å; S730-N732 PolarHBondContact O-N 2.93Å; S730-A733 PolarHBondContact O-N 3.04Å; S730-I734 WeakPolarHBondContact O-CD1 3.48Å; S730-I734 WeakPolarHBondContact O-CG1 3.34Å; S730-I734 PolarHBondContact O-N 3.22Å; S730-I734 VanDerWaalsContact O-N 3.07Å; S730-L756 VanDerWaalsContact OG-CD1 3.31Å; S730-L756 WeakPolarHBondContact OG-CD1 3.44Å
731R97Very high95.6Very high77 Ų7764.4 Ų64.429%0.29134%0.337SS..Hα-helixtrans-54.1-49.8173.8179.6172.5-173.5142.612.4111.7W719 E725 P727 N729 A733 I734 E735W719-R731 HydrophobicContact CD2-CG 4.5Å; W719-R731 HydrophobicContact CE3-CG 4.06Å; W719-R731 HydrophobicContact CH2-CG 3.89Å; W719-R731 HydrophobicContact CZ2-CG 4.35Å; W719-R731 HydrophobicContact CZ3-CB 4.21Å; W719-R731 HydrophobicContact CZ3-CG 3.76Å; E725-R731 IonicContact OE1-NH1 3.12Å; P727-R731 PolarHBondContact O-N 3.42Å; N729-R731 PolarHBondContact O-N 3.23Å; R731-A733 PolarHBondContact O-N 3.48Å; R731-I734 PolarHBondContact O-N 2.86Å; R731-E735 HydrophobicContact CG-CG 4.48Å; R731-E735 WeakPolarHBondContact CG-OE1 3.31Å; R731-E735 IonicContact NE-OE1 2.74Å; R731-E735 PolarHBondContact NE-OE1 3.49Å; R731-E735 VanDerWaalsContact O-CG 3.31Å; R731-E735 WeakPolarHBondContact O-CG 3.2Å; R731-E735 PolarHBondContact O-N 3.35Å
732N97.6Very high95.7Very high66 Ų6657.7 Ų57.735%0.35331%0.306SS..Hα-helixtrans-69.7-33.2-177.2-165.6-120.5000113.6V728 N729 S730 E735 I736 H754V728-N732 VanDerWaalsContact O-CB 3.29Å; V728-N732 WeakPolarHBondContact O-CB 3.23Å; V728-N732 PolarHBondContact O-N 3.06Å; N729-N732 PolarHBondContact O-N 3.09Å; S730-N732 VanDerWaalsContact C-N 3.35Å; S730-N732 PolarHBondContact O-N 2.93Å; N732-E735 PolarHBondContact ND2-OE2 3.34Å; N732-E735 VanDerWaalsContact ND2-OE2 3.14Å; N732-E735 PolarHBondContact O-N 3.25Å; N732-I736 PolarHBondContact O-N 3.5Å; N732-H754 PolarHBondContact OD1-NE2 3.4Å
733A98.1Very high95.8Very high0 Ų065.5 Ų65.50%032%0.317CS..Hα-helixtrans-62.9-42.7172.800000111.9L690 N729 S730 R731 E735 I736 L737 L756 F757L690-A733 HydrophobicContact CD2-CB 3.85Å; N729-A733 WeakPolarHBondContact O-CB 3.31Å; N729-A733 PolarHBondContact O-N 3.27Å; S730-A733 PolarHBondContact O-N 3.04Å; R731-A733 PolarHBondContact O-N 3.48Å; A733-E735 VanDerWaalsContact C-N 3.34Å; A733-I736 VanDerWaalsContact O-CG1 3.28Å; A733-I736 WeakPolarHBondContact O-CG1 3.39Å; A733-L737 WeakPolarHBondContact O-CG 3.23Å; A733-L737 PolarHBondContact O-N 3.49Å; A733-L756 HydrophobicContact CB-CB 4.37Å; A733-L756 HydrophobicContact CB-CD2 3.48Å; A733-L756 VanDerWaalsContact CB-CD2 3.48Å; A733-F757 HydrophobicContact CB-CE2 4.49Å
734I98.3Very high96.2Very high0 Ų062.9 Ų62.90%030%0.302CS..Hα-helixtrans-63.8-41.8172.8-63.8161000110.1L690 F691 L694 W719 L726 S730 R731 I736 L737 L738L690-I734 HydrophobicContact CB-CG1 4.3Å; L690-I734 HydrophobicContact CD2-CG1 3.71Å; L690-I734 HydrophobicContact CG-CD1 4.32Å; L690-I734 HydrophobicContact CG-CG1 3.73Å; F691-I734 HydrophobicContact CB-CD1 3.94Å; F691-I734 HydrophobicContact CB-CG1 4.35Å; F691-I734 HydrophobicContact CB-CG2 4.23Å; F691-I734 HydrophobicContact CD2-CD1 4.09Å; F691-I734 HydrophobicContact CD2-CG2 4.31Å; F691-I734 HydrophobicContact CG-CD1 4.45Å; L694-I734 HydrophobicContact CD1-CD1 4.18Å; W719-I734 HydrophobicContact CH2-CB 3.94Å; W719-I734 HydrophobicContact CH2-CG2 3.66Å; W719-I734 HydrophobicContact CZ3-CB 4.29Å; W719-I734 HydrophobicContact CZ3-CD1 4.12Å; W719-I734 HydrophobicContact CZ3-CG2 4.16Å; L726-I734 HydrophobicContact CD1-CD1 3.85Å; S730-I734 WeakPolarHBondContact O-CD1 3.48Å; S730-I734 WeakPolarHBondContact O-CG1 3.34Å; S730-I734 PolarHBondContact O-N 3.22Å; S730-I734 VanDerWaalsContact O-N 3.07Å; R731-I734 PolarHBondContact O-N 2.86Å; I734-I736 PolarHBondContact O-N 3.28Å; I734-L737 PolarHBondContact O-N 2.87Å; I734-L738 HydrophobicContact CG2-CD1 3.58Å; I734-L738 HydrophobicContact CG2-CG 4.08Å; I734-L738 WeakPolarHBondContact O-CB 3.44Å; I734-L738 PolarHBondContact O-N 3.3Å
735E97.9Very high96.5Very high56 Ų5656.2 Ų56.226%0.26227%0.271SS..Hα-helixtrans-62.6-37.4-179.4-75.1167.8172.600113.8R715 W719 R731 N732 A733 T739R715-E735 VanDerWaalsContact NH2-CA 3.31Å; R715-E735 PolarHBondContact NH2-O 3.26Å; W719-E735 HydrophobicContact CH2-CG 3.97Å; W719-E735 HydrophobicContact CZ2-CG 3.82Å; R731-E735 HydrophobicContact CG-CG 4.48Å; R731-E735 WeakPolarHBondContact CG-OE1 3.31Å; R731-E735 IonicContact NE-OE1 2.74Å; R731-E735 PolarHBondContact NE-OE1 3.49Å; R731-E735 VanDerWaalsContact O-CG 3.31Å; R731-E735 WeakPolarHBondContact O-CG 3.2Å; R731-E735 PolarHBondContact O-N 3.35Å; N732-E735 PolarHBondContact ND2-OE2 3.34Å; N732-E735 VanDerWaalsContact ND2-OE2 3.14Å; N732-E735 PolarHBondContact O-N 3.25Å; A733-E735 VanDerWaalsContact C-N 3.34Å; E735-T739 PolarHBondContact O-OG1 2.7Å
736I97.9Very high96.7Very high44 Ų4451.1 Ų51.123%0.22625%0.247CC..Hα-helixtrans-78.2-27.917864.6176.6000113N732 A733 I734 A746N732-I736 PolarHBondContact O-N 3.5Å; A733-I736 VanDerWaalsContact O-CG1 3.28Å; A733-I736 WeakPolarHBondContact O-CG1 3.39Å; I734-I736 PolarHBondContact O-N 3.28Å; I736-A746 HydrophobicContact CB-CB 3.85Å; I736-A746 HydrophobicContact CD1-CB 3.76Å; I736-A746 HydrophobicContact CG1-CB 3.64Å; I736-A746 PolarHBondContact O-N 2.83Å
737L98.3Very high96.8Very high0 Ų050.6 Ų50.60%025%0.246CC..Hα-helixtrans-78.4-41.7174.2-69.7171.4000112.3W683 L686 L690 A733 I734 T739 R745 A746 L751W683-L737 HydrophobicContact CB-CD2 4.43Å; W683-L737 HydrophobicContact CE3-CD2 4.3Å; L686-L737 HydrophobicContact CG-CD1 4.48Å; L690-L737 HydrophobicContact CD2-CD1 4.26Å; A733-L737 WeakPolarHBondContact O-CG 3.23Å; A733-L737 PolarHBondContact O-N 3.49Å; I734-L737 PolarHBondContact O-N 2.87Å; L737-T739 PolarHBondContact O-N 3.38Å; L737-T739 VanDerWaalsContact O-N 3.09Å; L737-R745 VanDerWaalsContact O-CD 3.22Å; L737-R745 WeakPolarHBondContact O-CD 3.25Å; L737-R745 WeakPolarHBondContact O-CG 3.44Å; L737-A746 HydrophobicContact CD2-CB 4.16Å; L737-L751 HydrophobicContact CD1-CD2 4.1Å; L737-L751 HydrophobicContact CD2-CD1 4.26Å; L737-L751 HydrophobicContact CD2-CD2 4.18Å; L737-L751 HydrophobicContact CD2-CG 4.47Å; L737-L751 HydrophobicContact CG-CD2 4.23Å
738L98.1Very high96.8Very high0 Ų048.1 Ų48.10%023%0.229CC..THydrogen-bonded Turntrans-84.334.6177.1-60.4-175.8000112.9W684 V688 P699 F700 R715 I717 I734W684-L738 HydrophobicContact CD2-CD2 3.82Å; W684-L738 HydrophobicContact CE3-CB 4.43Å; W684-L738 HydrophobicContact CE3-CD2 4.14Å; W684-L738 HydrophobicContact CG-CD2 4.21Å; W684-L738 HydrophobicContact CH2-CB 4.43Å; W684-L738 HydrophobicContact CZ2-CD2 4.22Å; W684-L738 HydrophobicContact CZ3-CB 4.19Å; W684-L738 HydrophobicContact CZ3-CD2 4.48Å; W684-L738 VanDerWaalsContact CZ3-O 3.3Å; W684-L738 WeakPolarHBondContact CZ3-O 3.47Å; W684-L738 WeakPolarHBondContact O-CD2 3.39Å; V688-L738 HydrophobicContact CG2-CD2 3.79Å; P699-L738 HydrophobicContact CG-CD1 4.14Å; F700-L738 HydrophobicContact CE2-CD1 4.19Å; F700-L738 HydrophobicContact CE2-CD2 4.26Å; F700-L738 HydrophobicContact CZ-CD1 4.05Å; R715-L738 PolarHBondContact NE-O 3.41Å; R715-L738 VanDerWaalsContact NE-O 3.13Å; R715-L738 PolarHBondContact NH1-O 3.08Å; R715-L738 PolarHBondContact NH2-O 3.38Å; I717-L738 HydrophobicContact CD1-CB 4.38Å; I717-L738 HydrophobicContact CD1-CD1 3.84Å; I734-L738 HydrophobicContact CG2-CD1 3.58Å; I734-L738 HydrophobicContact CG2-CG 4.08Å; I734-L738 WeakPolarHBondContact O-CB 3.44Å; I734-L738 PolarHBondContact O-N 3.3Å
739T97.6Very high96.8Very high28 Ų2850.1 Ų50.117%0.17223%0.228CC..  trans-85.1127.2177.3-800000111.6E735 L737 D741 K744 R745E735-T739 PolarHBondContact O-OG1 2.7Å; L737-T739 PolarHBondContact O-N 3.38Å; L737-T739 VanDerWaalsContact O-N 3.09Å; T739-D741 PolarHBondContact O-N 3.22Å; T739-K744 HydrophobicContact CG2-CB 4.02Å; T739-R745 PolarHBondContact O-NE 2.94Å; T739-R745 PolarHBondContact O-NH2 3.19Å
740M95.5Very high96.8Very high68 Ų6851.3 Ų51.334%0.33523%0.232SC..SBendtrans-63.7-38.6-173.6-58.8-60.1-81.900113.9P669 W684 I712 L713 R715 M742P669-M740 HydrophobicContact CB-CE 3.73Å; P669-M740 HydrophobicContact CB-SD 4.4Å; P669-M740 HydrophobicContact CG-CE 3.84Å; P669-M740 HydrophobicContact CG-SD 3.88Å; W684-M740 HydrophobicContact CH2-SD 3.61Å; W684-M740 HydrophobicContact CZ3-SD 3.73Å; I712-M740 WeakPolarHBondContact O-CE 3.4Å; L713-M740 VanDerWaalsContact O-CE 3.29Å; L713-M740 WeakPolarHBondContact O-CE 3.44Å; R715-M740 HydrophobicContact CB-CG 4.26Å; R715-M740 HydrophobicContact CB-SD 3.82Å; R715-M740 HydrophobicContact CG-CG 4.47Å; R715-M740 HydrophobicContact CG-SD 4.09Å; M740-M742 PolarHBondContact O-N 2.79Å
741D94.9Very high96.7Very high48 Ų4851.3 Ų51.326%0.25723%0.232SC..SBendtrans-81.2105.9177.3-176.2-0.9000109.6T739 R743 K744 R745T739-D741 PolarHBondContact O-N 3.22Å; D741-R743 PolarHBondContact O-N 3.3Å; D741-R743 PolarHBondContact OD1-N 3.13Å; D741-R743 IonicContact OD1-NE 2.7Å; D741-R743 IonicContact OD1-NH2 3.82Å; D741-K744 HydrophobicContact CB-CB 4.35Å; D741-K744 HydrophobicContact CB-CD 4.13Å; D741-K744 HydrophobicContact CB-CG 4.35Å; D741-K744 PolarHBondContact O-N 2.96Å; D741-K744 WeakPolarHBondContact OD2-CD 3.45Å; D741-K744 WeakPolarHBondContact OD2-CE 3.11Å; D741-K744 IonicContact OD2-NZ 2.81Å; D741-K744 PolarHBondContact OD2-NZ 3.28Å; D741-R745 PolarHBondContact O-N 3.25Å; D741-R745 VanDerWaalsContact O-N 3.14Å
742M94.6Very high96.6Very high32 Ų3251.5 Ų51.516%0.15824%0.235CC..G310 helixtrans-46.1-35.7178.4-61.8171.972.600113.6E670 H677 D678 M680 M740 K744 R745E670-M742 HydrophobicContact CB-SD 3.83Å; E670-M742 HydrophobicContact CG-CE 4.04Å; E670-M742 HydrophobicContact CG-CG 4.18Å; E670-M742 HydrophobicContact CG-SD 3.65Å; E670-M742 WeakPolarHBondContact OE1-CG 3.08Å; H677-M742 HydrophobicContact CB-CE 4.01Å; D678-M742 HydrophobicContact CB-CE 4.5Å; D678-M742 WeakPolarHBondContact OD1-CE 3.33Å; M680-M742 HydrophobicContact CB-CB 4.32Å; M680-M742 HydrophobicContact CB-CE 4.35Å; M740-M742 PolarHBondContact O-N 2.79Å; M742-K744 PolarHBondContact O-N 2.92Å; M742-R745 PolarHBondContact O-N 3.13Å
743R94.1Very high96.5Very high225 Ų22558 Ų5885%0.84926%0.255SS*.G310 helixtrans-78-5.7-177.4-66.6171.7-67.5-159.3-1.8113.9D741D741-R743 PolarHBondContact O-N 3.3Å; D741-R743 PolarHBondContact OD1-N 3.13Å; D741-R743 IonicContact OD1-NE 2.7Å; D741-R743 IonicContact OD1-NH2 3.82Å
744K96.2Very high96.5Very high156 Ų15659 Ų5968%0.67826%0.259SS*.G310 helixtrans-119.3-6.1177-61.2175.2-172.9147.20112.6T739 D741 M742T739-K744 HydrophobicContact CG2-CB 4.02Å; D741-K744 HydrophobicContact CB-CB 4.35Å; D741-K744 HydrophobicContact CB-CD 4.13Å; D741-K744 HydrophobicContact CB-CG 4.35Å; D741-K744 PolarHBondContact O-N 2.96Å; D741-K744 WeakPolarHBondContact OD2-CD 3.45Å; D741-K744 WeakPolarHBondContact OD2-CE 3.11Å; D741-K744 IonicContact OD2-NZ 2.81Å; D741-K744 PolarHBondContact OD2-NZ 3.28Å; M742-K744 PolarHBondContact O-N 2.92Å
745R97.7Very high96.4Very high10 Ų1067.5 Ų67.54%0.03829%0.291CS..SBendtrans-67.1137.7177.8-162.5176.8-63153.82.8109.7E670 M680 L737 T739 D741 M742E670-R745 IonicContact OE1-CZ 2.71Å; E670-R745 IonicContact OE1-NH1 2.7Å; E670-R745 PolarHBondContact OE1-NH1 3.48Å; E670-R745 IonicContact OE1-NH2 3.22Å; E670-R745 PolarHBondContact OE1-NH2 2.74Å; E670-R745 IonicContact OE2-CZ 3.85Å; E670-R745 IonicContact OE2-NH1 2.79Å; E670-R745 IonicContact OE2-NH2 2.8Å; E670-R745 PolarHBondContact OE2-NH2 2.7Å; M680-R745 VanDerWaalsContact C-NH1 3.26Å; M680-R745 WeakPolarHBondContact O-CD 3.15Å; M680-R745 PolarHBondContact O-NH1 3.26Å; L737-R745 VanDerWaalsContact O-CD 3.22Å; L737-R745 WeakPolarHBondContact O-CD 3.25Å; L737-R745 WeakPolarHBondContact O-CG 3.44Å; T739-R745 PolarHBondContact O-NE 2.94Å; T739-R745 PolarHBondContact O-NH2 3.19Å; D741-R745 PolarHBondContact O-N 3.25Å; D741-R745 VanDerWaalsContact O-N 3.14Å; M742-R745 PolarHBondContact O-N 3.13Å
746A97.1Very high96.4Very high3 Ų365.4 Ų65.43%0.02528%0.282CS..  trans-67.6143.4178.800000112.2W683 I736 L737 E750W683-A746 WeakPolarHBondContact CB-O 3.3Å; I736-A746 HydrophobicContact CB-CB 3.85Å; I736-A746 HydrophobicContact CD1-CB 3.76Å; I736-A746 HydrophobicContact CG1-CB 3.64Å; I736-A746 PolarHBondContact O-N 2.83Å; L737-A746 HydrophobicContact CD2-CB 4.16Å; A746-E750 HydrophobicContact CB-CB 3.76Å; A746-E750 HydrophobicContact CB-CG 4.32Å
747G96.3Very high96.3Very high6 Ų663.7 Ų63.76%0.06227%0.273CS..  trans-120.9-162.8163.100000111.3K749 E750 L751G747-K749 PolarHBondContact O-N 3.4Å; G747-K749 VanDerWaalsContact O-N 3.12Å; G747-E750 PolarHBondContact N-OE2 2.85Å; G747-E750 PolarHBondContact O-N 2.92Å; G747-E750 VanDerWaalsContact O-N 3.11Å; G747-L751 PolarHBondContact O-N 3.24Å
748L95.8Very high96Very high16 Ų1669.1 Ų69.18%0.08430%0.302CS..Hα-helixtrans-55.3-33.4-177.4-17565.8000113.9A135 L136 D139 W683 E750 K752 W762A135-L748 HydrophobicContact CB-CD1 3.94Å; L136-L748 HydrophobicContact CD2-CD1 4.24Å; L136-L748 HydrophobicContact CD2-CD2 4.04Å; D139-L748 HydrophobicContact CB-CB 4.2Å; D139-L748 HydrophobicContact CB-CD2 3.54Å; D139-L748 HydrophobicContact CB-CG 4.44Å; D139-L748 VanDerWaalsContact OD2-CD2 3.25Å; D139-L748 WeakPolarHBondContact OD2-CD2 3.31Å; W683-L748 HydrophobicContact CH2-CB 3.74Å; W683-L748 HydrophobicContact CZ2-CB 4.13Å; L748-E750 VanDerWaalsContact C-N 3.3Å; L748-E750 PolarHBondContact O-N 3.14Å; L748-K752 HydrophobicContact CD1-CG 4.04Å; L748-K752 HydrophobicContact CG-CD 4.41Å; L748-K752 HydrophobicContact CG-CG 4.16Å; L748-K752 VanDerWaalsContact O-CB 3.3Å; L748-K752 WeakPolarHBondContact O-CB 3.4Å; L748-K752 WeakPolarHBondContact O-CG 3.44Å; L748-K752 PolarHBondContact O-N 3.46Å; L748-W762 HydrophobicContact CD1-CE3 4.12Å; L748-W762 HydrophobicContact CD1-CH2 4.06Å; L748-W762 HydrophobicContact CD1-CZ3 3.6Å
749K95.3Very high95.5Very high159 Ų15973.4 Ų73.469%0.69135%0.346SS*.Hα-helixtrans-66.9-33.9-178.2-71177.2-176.9172.10112.4G747 R753G747-K749 PolarHBondContact O-N 3.4Å; G747-K749 VanDerWaalsContact O-N 3.12Å; K749-R753 WeakPolarHBondContact O-CD 3.38Å; K749-R753 WeakPolarHBondContact O-CG 3.28Å
750E96.4Very high95.2Very high84 Ų8473.4 Ų73.439%0.39335%0.345SS..Hα-helixtrans-81.2-43.7-179.9-65.562.3-128.800109.2A746 G747 L748 K752 R753 H754A746-E750 HydrophobicContact CB-CB 3.76Å; A746-E750 HydrophobicContact CB-CG 4.32Å; G747-E750 PolarHBondContact N-OE2 2.85Å; G747-E750 PolarHBondContact O-N 2.92Å; G747-E750 VanDerWaalsContact O-N 3.11Å; L748-E750 VanDerWaalsContact C-N 3.3Å; L748-E750 PolarHBondContact O-N 3.14Å; E750-K752 PolarHBondContact O-N 3.33Å; E750-R753 CarbonylContact O-C 3.44Å; E750-R753 PolarHBondContact O-N 2.88Å; E750-R753 VanDerWaalsContact O-N 3.07Å; E750-H754 WeakPolarHBondContact O-CB 3.25Å; E750-H754 PolarHBondContact O-N 3.01Å; E750-H754 VanDerWaalsContact O-N 3.13Å
751L96.2Very high95Very high0 Ų074.1 Ų74.10%035%0.35CS..Hα-helixtrans-60.1-44.7173.9-64.3175.2000112.7A135 W683 L686 L737 G747 R753 H754 F757 W762A135-L751 HydrophobicContact CB-CD1 4.11Å; W683-L751 HydrophobicContact CE3-CD1 4.09Å; W683-L751 HydrophobicContact CZ3-CD1 3.63Å; L686-L751 HydrophobicContact CD2-CD1 4Å; L737-L751 HydrophobicContact CD1-CD2 4.1Å; L737-L751 HydrophobicContact CD2-CD1 4.26Å; L737-L751 HydrophobicContact CD2-CD2 4.18Å; L737-L751 HydrophobicContact CD2-CG 4.47Å; L737-L751 HydrophobicContact CG-CD2 4.23Å; G747-L751 PolarHBondContact O-N 3.24Å; L751-R753 PolarHBondContact O-N 2.77Å; L751-H754 PolarHBondContact O-N 3Å; L751-F757 HydrophobicContact CB-CD2 4.49Å; L751-F757 HydrophobicContact CB-CE2 4.29Å; L751-F757 HydrophobicContact CD2-CE2 3.71Å; L751-F757 HydrophobicContact CD2-CZ 4.1Å; L751-F757 WeakPolarHBondContact O-CD2 3.45Å; L751-W762 HydrophobicContact CB-CH2 4.36Å
752K95.4Very high94.9Very high81 Ų8173 Ų7335%0.35234%0.342SS..THydrogen-bonded Turntrans-62.1-4.3174.6-80.1-157.8172.7-153.80114.4L748 E750 W762 D763L748-K752 HydrophobicContact CD1-CG 4.04Å; L748-K752 HydrophobicContact CG-CD 4.41Å; L748-K752 HydrophobicContact CG-CG 4.16Å; L748-K752 VanDerWaalsContact O-CB 3.3Å; L748-K752 WeakPolarHBondContact O-CB 3.4Å; L748-K752 WeakPolarHBondContact O-CG 3.44Å; L748-K752 PolarHBondContact O-N 3.46Å; E750-K752 PolarHBondContact O-N 3.33Å; K752-W762 HydrophobicContact CD-CB 4.32Å; K752-W762 HydrophobicContact CD-CD2 4.17Å; K752-W762 HydrophobicContact CD-CG 4.06Å; K752-W762 VanDerWaalsContact CE-CB 3.44Å; K752-W762 HydrophobicContact CG-CD2 3.68Å; K752-W762 HydrophobicContact CG-CE3 4.12Å; K752-W762 HydrophobicContact CG-CG 3.98Å; K752-W762 HydrophobicContact CG-CH2 4.42Å; K752-W762 HydrophobicContact CG-CZ2 4.01Å; K752-W762 HydrophobicContact CG-CZ3 4.48Å; K752-D763 IonicContact NZ-OD1 3.67Å; K752-D763 PolarHBondContact NZ-OD1 2.94Å; K752-D763 VanDerWaalsContact NZ-OD1 3.12Å
753R95.8Very high94.6Very high203 Ų20378.2 Ų78.277%0.76637%0.37SS*.THydrogen-bonded Turntrans-1231.9177.7-64.8172.8174.7176-3.8112.9K749 E750 L751K749-R753 WeakPolarHBondContact O-CD 3.38Å; K749-R753 WeakPolarHBondContact O-CG 3.28Å; E750-R753 CarbonylContact O-C 3.44Å; E750-R753 PolarHBondContact O-N 2.88Å; E750-R753 VanDerWaalsContact O-N 3.07Å; L751-R753 PolarHBondContact O-N 2.77Å
754H97.3Very high94.3Very high19 Ų1970.9 Ų70.99%0.08835%0.348CS..SBendtrans-93.7135.3-174.4-176.6-80.7000110N729 N732 E750 L751 L756 F757N729-H754 PolarHBondContact O-CE1 2.91Å; N732-H754 PolarHBondContact OD1-NE2 3.4Å; E750-H754 WeakPolarHBondContact O-CB 3.25Å; E750-H754 PolarHBondContact O-N 3.01Å; E750-H754 VanDerWaalsContact O-N 3.13Å; L751-H754 PolarHBondContact O-N 3Å; H754-L756 VanDerWaalsContact ND1-CB 3.34Å; H754-L756 WeakPolarHBondContact ND1-CB 3.41Å; H754-L756 PolarHBondContact ND1-N 3.47Å; H754-L756 PolarHBondContact O-N 2.96Å; H754-F757 HydrophobicContact CB-CD2 4.17Å; H754-F757 PolarHBondContact O-N 3.19Å
755R96.6Very high93.9Very high179 Ų17963.5 Ų63.568%0.67532%0.316SS*.G310 helixtrans-57.4-25.5-169.6-71.2-175.4173.6179.9-1.8115.8N729 F757 D758N729-R755 WeakPolarHBondContact OD1-CB 3.13Å; R755-F757 PolarHBondContact O-N 3.3Å; R755-D758 WeakPolarHBondContact CA-OD2 3.48Å; R755-D758 PolarHBondContact O-N 3.4Å
756L96.5Very high93.3Very high13 Ų1364.7 Ų64.77%0.06832%0.322CS..G310 helixtrans-58.5-25.8172.4-174.964.4000113E124 V128 L690 N729 S730 A733 H754E124-L756 VanDerWaalsContact CD-CD1 3.47Å; E124-L756 HydrophobicContact CG-CD1 3.7Å; V128-L756 HydrophobicContact CG2-CD1 3.59Å; V128-L756 HydrophobicContact CG2-CD2 3.94Å; V128-L756 HydrophobicContact CG2-CG 3.51Å; L690-L756 HydrophobicContact CD1-CD2 4.43Å; L690-L756 HydrophobicContact CD2-CD2 4.2Å; N729-L756 HydrophobicContact CB-CB 4.14Å; N729-L756 HydrophobicContact CB-CD1 4.28Å; S730-L756 VanDerWaalsContact OG-CD1 3.31Å; S730-L756 WeakPolarHBondContact OG-CD1 3.44Å; A733-L756 HydrophobicContact CB-CB 4.37Å; A733-L756 HydrophobicContact CB-CD2 3.48Å; A733-L756 VanDerWaalsContact CB-CD2 3.48Å; H754-L756 VanDerWaalsContact ND1-CB 3.34Å; H754-L756 WeakPolarHBondContact ND1-CB 3.41Å; H754-L756 PolarHBondContact ND1-N 3.47Å; H754-L756 PolarHBondContact O-N 2.96Å
757F95.8Very high92.8Very high8 Ų868.4 Ų68.44%0.03534%0.341CS..G310 helixtrans-110.912.3-177.3-53.6-90.9000112.5V128 I131 S132 A733 L751 H754 R755 G759 L760 W762V128-F757 HydrophobicContact CG1-CD1 3.76Å; V128-F757 HydrophobicContact CG1-CE1 4.03Å; I131-F757 HydrophobicContact CG2-CE1 4.29Å; I131-F757 HydrophobicContact CG2-CZ 4.11Å; S132-F757 VanDerWaalsContact OG-CD1 3.28Å; S132-F757 WeakPolarHBondContact OG-CD1 3.41Å; S132-F757 WeakPolarHBondContact OG-CE1 3.43Å; A733-F757 HydrophobicContact CB-CE2 4.49Å; L751-F757 HydrophobicContact CB-CD2 4.49Å; L751-F757 HydrophobicContact CB-CE2 4.29Å; L751-F757 HydrophobicContact CD2-CE2 3.71Å; L751-F757 HydrophobicContact CD2-CZ 4.1Å; L751-F757 WeakPolarHBondContact O-CD2 3.45Å; H754-F757 HydrophobicContact CB-CD2 4.17Å; H754-F757 PolarHBondContact O-N 3.19Å; R755-F757 PolarHBondContact O-N 3.3Å; F757-G759 PolarHBondContact O-N 3.31Å; F757-L760 WeakPolarHBondContact O-CB 3.46Å; F757-L760 PolarHBondContact O-N 3.26Å; F757-W762 HydrophobicContact CB-CZ2 3.67Å; F757-W762 AromaticContact CD1-CH2 3.88Å; F757-W762 HydrophobicContact CD1-CH2 3.88Å; F757-W762 AromaticContact CD1-CZ2 3.56Å; F757-W762 HydrophobicContact CD1-CZ2 3.56Å; F757-W762 HydrophobicContact CE1-CH2 4.25Å; F757-W762 HydrophobicContact CE1-CZ2 4.34Å; F757-W762 HydrophobicContact CG-CH2 4.35Å; F757-W762 AromaticContact CG-CZ2 3.67Å; F757-W762 HydrophobicContact CG-CZ2 3.67Å
758D92.3Very high92.4Very high114 Ų11470 Ų7061%0.6135%0.347SS*.THydrogen-bonded Turntrans-63.3129.9175.5-80.6-21.7000109.8R755R755-D758 WeakPolarHBondContact CA-OD2 3.48Å; R755-D758 PolarHBondContact O-N 3.4Å
759G87.7Confident92.1Very high90 Ų9074.1 Ų74.193%0.92838%0.375SS*.THydrogen-bonded Turntrans86.1-7.4-177.800000115.7F757 D761F757-G759 PolarHBondContact O-N 3.31Å; G759-D761 PolarHBondContact O-N 3.04Å
760L92.1Very high92Very high28 Ų2867 Ų6715%0.14734%0.344CS..  trans-76121.1175.7-172.5136.4000111.3V128 S132 F757 W762 L765V128-L760 HydrophobicContact CG1-CD1 3.99Å; S132-L760 WeakPolarHBondContact OG-CD1 3.43Å; F757-L760 WeakPolarHBondContact O-CB 3.46Å; F757-L760 PolarHBondContact O-N 3.26Å; L760-W762 HydrophobicContact CD2-CB 4.34Å; L760-W762 HydrophobicContact CD2-CD2 3.51Å; L760-W762 HydrophobicContact CD2-CE3 4.03Å; L760-W762 HydrophobicContact CD2-CG 3.64Å; L760-W762 HydrophobicContact CD2-CZ2 4.34Å; L760-W762 PolarHBondContact O-N 3.21Å; L760-L765 HydrophobicContact CD1-CD1 4.29Å; L760-L765 HydrophobicContact CD2-CD1 4.17Å; L760-L765 HydrophobicContact CD2-CD2 4.45Å; L760-L765 HydrophobicContact CG-CD1 4.33Å
761D91.9Very high91.8Very high83 Ų8365.9 Ų65.944%0.44434%0.344SS..  trans-75.789.1172.8-175.2-12.8000110.6G759 D763 N764 L765 Q768G759-D761 PolarHBondContact O-N 3.04Å; D761-D763 PolarHBondContact O-N 3.07Å; D761-D763 PolarHBondContact OD1-N 3.14Å; D761-N764 PolarHBondContact O-N 3.07Å; D761-N764 PolarHBondContact OD1-N 2.81Å; D761-N764 WeakPolarHBondContact OD2-CB 3.31Å; D761-L765 PolarHBondContact O-N 3.11Å; D761-L765 VanDerWaalsContact O-N 3.16Å; D761-Q768 PolarHBondContact O-NE2 3.12Å
762W91.7Very high91.7Very high24 Ų2467 Ų679%0.09135%0.349CS..THydrogen-bonded Turntrans-64.4-17.9178.5-70.993.3000115.1A135 L136 L748 L751 K752 F757 L760A135-W762 HydrophobicContact CB-CH2 4.48Å; A135-W762 HydrophobicContact CB-CZ3 4.22Å; L136-W762 HydrophobicContact CD1-CE3 4.45Å; L136-W762 HydrophobicContact CD2-CE3 4.04Å; L136-W762 HydrophobicContact CD2-CZ3 4.5Å; L136-W762 HydrophobicContact CG-CE3 4.12Å; L136-W762 HydrophobicContact CG-CZ3 4.38Å; L748-W762 HydrophobicContact CD1-CE3 4.12Å; L748-W762 HydrophobicContact CD1-CH2 4.06Å; L748-W762 HydrophobicContact CD1-CZ3 3.6Å; L751-W762 HydrophobicContact CB-CH2 4.36Å; K752-W762 HydrophobicContact CD-CB 4.32Å; K752-W762 HydrophobicContact CD-CD2 4.17Å; K752-W762 HydrophobicContact CD-CG 4.06Å; K752-W762 VanDerWaalsContact CE-CB 3.44Å; K752-W762 HydrophobicContact CG-CD2 3.68Å; K752-W762 HydrophobicContact CG-CE3 4.12Å; K752-W762 HydrophobicContact CG-CG 3.98Å; K752-W762 HydrophobicContact CG-CH2 4.42Å; K752-W762 HydrophobicContact CG-CZ2 4.01Å; K752-W762 HydrophobicContact CG-CZ3 4.48Å; F757-W762 HydrophobicContact CB-CZ2 3.67Å; F757-W762 AromaticContact CD1-CH2 3.88Å; F757-W762 HydrophobicContact CD1-CH2 3.88Å; F757-W762 AromaticContact CD1-CZ2 3.56Å; F757-W762 HydrophobicContact CD1-CZ2 3.56Å; F757-W762 HydrophobicContact CE1-CH2 4.25Å; F757-W762 HydrophobicContact CE1-CZ2 4.34Å; F757-W762 HydrophobicContact CG-CH2 4.35Å; F757-W762 AromaticContact CG-CZ2 3.67Å; F757-W762 HydrophobicContact CG-CZ2 3.67Å; L760-W762 HydrophobicContact CD2-CB 4.34Å; L760-W762 HydrophobicContact CD2-CD2 3.51Å; L760-W762 HydrophobicContact CD2-CE3 4.03Å; L760-W762 HydrophobicContact CD2-CG 3.64Å; L760-W762 HydrophobicContact CD2-CZ2 4.34Å; L760-W762 PolarHBondContact O-N 3.21Å
763D88.6Confident91.6Very high141 Ų14166.9 Ų66.975%0.75435%0.352SS*.THydrogen-bonded Turntrans-100.1-15-174.6-66.7-6.6000111.4K752 D761K752-D763 IonicContact NZ-OD1 3.67Å; K752-D763 PolarHBondContact NZ-OD1 2.94Å; K752-D763 VanDerWaalsContact NZ-OD1 3.12Å; D761-D763 PolarHBondContact O-N 3.07Å; D761-D763 PolarHBondContact OD1-N 3.14Å
764N88.3Confident91.5Very high71 Ų7157.7 Ų57.738%0.3832%0.318SS..SBendtrans-117.713.9174.8-159.167.1000114D761 Q766 D767D761-N764 PolarHBondContact O-N 3.07Å; D761-N764 PolarHBondContact OD1-N 2.81Å; D761-N764 WeakPolarHBondContact OD2-CB 3.31Å; N764-Q766 VanDerWaalsContact C-N 3.29Å; N764-Q766 PolarHBondContact O-N 2.66Å; N764-D767 PolarHBondContact O-N 3.24Å
765L87.3Confident91.2Very high1 Ų164.8 Ų64.81%0.00535%0.352CS..G310 helixtrans-54.5-39.8-173.1-168.560.8000113.9E133 L136 H163 L760 D761 D767 Q768E133-L765 HydrophobicContact CB-CD2 4.36Å; E133-L765 HydrophobicContact CG-CD2 3.57Å; E133-L765 HydrophobicContact CG-CG 3.88Å; L136-L765 HydrophobicContact CD1-CB 4.26Å; L136-L765 HydrophobicContact CD1-CD2 3.89Å; H163-L765 PolarHBondContact CE1-O 3.13Å; L760-L765 HydrophobicContact CD1-CD1 4.29Å; L760-L765 HydrophobicContact CD2-CD1 4.17Å; L760-L765 HydrophobicContact CD2-CD2 4.45Å; L760-L765 HydrophobicContact CG-CD1 4.33Å; D761-L765 PolarHBondContact O-N 3.11Å; D761-L765 VanDerWaalsContact O-N 3.16Å; L765-D767 PolarHBondContact O-N 3.02Å; L765-Q768 HydrophobicContact CD1-CG 4.48Å; L765-Q768 PolarHBondContact O-N 3.4Å; L765-Q768 VanDerWaalsContact O-N 3.1Å
766Q85.4Confident90.8Very high35 Ų3558.4 Ų58.416%0.16433%0.333CS..G310 helixtrans-66.44.717559.9143.750.100115.8F86 K195 N764F86-Q766 HydrophobicContact CE1-CB 4.25Å; F86-Q766 HydrophobicContact CZ-CB 3.99Å; K195-Q766 PolarHBondContact NZ-O 2.99Å; N764-Q766 VanDerWaalsContact C-N 3.29Å; N764-Q766 PolarHBondContact O-N 2.66Å
767D86.9Confident90.4Very high81 Ų8166.8 Ų66.843%0.43337%0.372SS..G310 helixtrans-133.310.5177.6-71.4-73.3000111.4K195 N764 L765K195-D767 WeakPolarHBondContact CE-OD1 3.18Å; K195-D767 VanDerWaalsContact NZ-CG 3.34Å; K195-D767 IonicContact NZ-OD1 3.55Å; K195-D767 PolarHBondContact NZ-OD1 3.13Å; K195-D767 IonicContact NZ-OD2 3.78Å; N764-D767 PolarHBondContact O-N 3.24Å; L765-D767 PolarHBondContact O-N 3.02Å
768Q87.2Confident90.2Very high39 Ų3970.4 Ų70.418%0.18239%0.392CS..SBendtrans-88148.9172.5-64.8-173.929.900111.7H163 D761 L765 M770H163-Q768 PolarHBondContact CE1-O 3.44Å; H163-Q768 VanDerWaalsContact CE1-O 3.26Å; D761-Q768 PolarHBondContact O-NE2 3.12Å; L765-Q768 HydrophobicContact CD1-CG 4.48Å; L765-Q768 PolarHBondContact O-N 3.4Å; L765-Q768 VanDerWaalsContact O-N 3.1Å; Q768-M770 PolarHBondContact O-N 3.49Å
769P90Very high90Very high103 Ų10371.2 Ų71.267%0.66939%0.392SS*.PPolyproline II helixtrans-69.8125.6172.628.8-33.7000111.3K129K129-P769 PolarHBondContact NZ-O 2.93Å
770M93.1Very high90.1Very high9 Ų968.2 Ų68.24%0.04436%0.356CS..PPolyproline II helixtrans-84.5149178.5-60.3-56.4-74.800111.5K129 Y130 E133 H163 Q768 F772K129-M770 HydrophobicContact CB-CE 4.13Å; Y130-M770 HydrophobicContact CD1-CE 3.48Å; Y130-M770 VanDerWaalsContact CD1-CE 3.48Å; Y130-M770 HydrophobicContact CE1-CE 3.47Å; Y130-M770 VanDerWaalsContact CE1-CE 3.47Å; E133-M770 HydrophobicContact CG-CE 4.44Å; E133-M770 VanDerWaalsContact OE2-CE 3.25Å; E133-M770 WeakPolarHBondContact OE2-CE 3.3Å; H163-M770 WeakPolarHBondContact ND1-CG 3.31Å; Q768-M770 PolarHBondContact O-N 3.49Å; M770-F772 PolarHBondContact O-N 3.31Å
771P91.4Very high89.8Confident61 Ų6168 Ų6840%0.39635%0.354SS..SBendtrans-68-34-172.7-20.934.7000113.5M126 K129M126-P771 HydrophobicContact CB-CB 4.15Å; M126-P771 HydrophobicContact CB-CG 3.91Å; M126-P771 HydrophobicContact CG-CB 3.98Å; M126-P771 HydrophobicContact CG-CG 3.91Å; M126-P771 HydrophobicContact SD-CB 3.97Å; K129-P771 HydrophobicContact CD-CG 3.92Å
772F94.1Very high89.6Confident23 Ų2364.4 Ų64.410%0.10134%0.336CS..  trans-112.7130.1170.7167.2-99.3000109.2L115 M126 I158 G162 M770 P774 Y784L115-F772 HydrophobicContact CD1-CB 4.49Å; L115-F772 HydrophobicContact CD1-CD1 3.76Å; L115-F772 HydrophobicContact CD1-CD2 3.78Å; L115-F772 HydrophobicContact CD1-CE1 3.82Å; L115-F772 HydrophobicContact CD1-CE2 3.86Å; L115-F772 HydrophobicContact CD1-CG 3.73Å; L115-F772 HydrophobicContact CD1-CZ 3.88Å; L115-F772 HydrophobicContact CD2-CB 4.17Å; L115-F772 HydrophobicContact CD2-CD1 3.62Å; L115-F772 HydrophobicContact CD2-CE1 4.21Å; L115-F772 HydrophobicContact CD2-CG 3.96Å; L115-F772 HydrophobicContact CG-CD1 4.35Å; M126-F772 HydrophobicContact CE-CB 4.03Å; I158-F772 HydrophobicContact CD1-CD1 4.42Å; I158-F772 HydrophobicContact CD1-CE1 4.21Å; I158-F772 HydrophobicContact CG2-CD1 4.21Å; I158-F772 HydrophobicContact CG2-CE1 4.1Å; G162-F772 VanDerWaalsContact CA-O 3.25Å; G162-F772 WeakPolarHBondContact CA-O 3.29Å; M770-F772 PolarHBondContact O-N 3.31Å; F772-P774 HydrophobicContact CE1-CG 3.84Å; F772-P774 HydrophobicContact CZ-CB 4.39Å; F772-P774 HydrophobicContact CZ-CG 4.17Å; F772-Y784 HydrophobicContact CE2-CE1 4.11Å; F772-Y784 HydrophobicContact CZ-CD1 4.18Å; F772-Y784 AromaticContact CZ-CE1 3.6Å; F772-Y784 HydrophobicContact CZ-CE1 3.6Å; F772-Y784 AromaticContact CZ-CZ 3.96Å
773I94.4Very high89.3Confident79 Ų7965.4 Ų65.441%0.40535%0.347SS..  trans-125.5125.7172.2-58.7177.2000106.3
774P92.8Very high89.1Confident10 Ų1060.8 Ų60.87%0.06532%0.319CS..  trans-57.3139179.7-26.135.1000112.8I108 I158 S159 F772 P776 Y784I108-P774 HydrophobicContact CG2-CB 4.28Å; I158-P774 HydrophobicContact CG2-CG 4.04Å; S159-P774 VanDerWaalsContact O-CD 3.31Å; S159-P774 WeakPolarHBondContact O-CD 3.47Å; S159-P774 WeakPolarHBondContact O-CG 3.32Å; F772-P774 HydrophobicContact CE1-CG 3.84Å; F772-P774 HydrophobicContact CZ-CB 4.39Å; F772-P774 HydrophobicContact CZ-CG 4.17Å; P774-P776 VanDerWaalsContact O-CD 3.3Å; P774-P776 WeakPolarHBondContact O-CD 3.46Å; P774-Y784 HydrophobicContact CB-CD2 4.34Å; P774-Y784 HydrophobicContact CB-CE2 3.8Å
775Q91.1Very high88.8Confident169 Ų16958.1 Ų58.179%0.7930%0.304SS*.  trans-121.868.1177.1-63.3-173.611.600110.3Y784Q775-Y784 PolarHBondContact N-OH 3.2Å
776P89.1Confident88.4Confident44 Ų4462.8 Ų62.829%0.28633%0.325SS..  trans-68.4154179.830-36.6000112.5I108 P774 D781I108-P776 HydrophobicContact CD1-CB 3.65Å; I108-P776 HydrophobicContact CD1-CG 3.68Å; I108-P776 HydrophobicContact CG1-CB 4.04Å; I108-P776 HydrophobicContact CG1-CG 4.17Å; P774-P776 VanDerWaalsContact O-CD 3.3Å; P774-P776 WeakPolarHBondContact O-CD 3.46Å; P776-D781 WeakPolarHBondContact CA-OD2 3.38Å; P776-D781 HydrophobicContact CB-CB 3.67Å
777E88Confident87.6Confident189 Ų18962.4 Ų62.488%0.88333%0.328SS*.SBendtrans-69.3-38.2174.3-64.8-164.9167.400112.8D781E777-D781 PolarHBondContact N-OD2 3.02Å
778D90.9Very high86.8Confident85 Ų8560.4 Ų60.446%0.45532%0.315SS..SBendtrans-149.3171.2173.784.684.9000112.2T780 D781D778-T780 PolarHBondContact O-N 2.92Å; D778-T780 WeakPolarHBondContact OD1-CA 3.28Å; D778-T780 WeakPolarHBondContact OD1-CB 3.2Å; D778-T780 PolarHBondContact OD1-N 2.86Å; D778-T780 PolarHBondContact OD1-OG1 3.5Å; D778-D781 VanDerWaalsContact O-CB 3.3Å; D778-D781 WeakPolarHBondContact O-CB 3.29Å; D778-D781 PolarHBondContact O-N 2.87Å
779E88.4Confident86.1Confident131 Ų13159 Ų5961%0.61231%0.308SS*.THydrogen-bonded Turntrans-55.9-23.6-179.4-61.4-176157.400114.2R45 L52R45-E779 IonicContact NH1-OE2 2.73Å; L52-E779 HydrophobicContact CD1-CB 3.81Å; L52-E779 WeakPolarHBondContact CD1-O 3.31Å
780T88.9Confident85.2Confident27 Ų2759.4 Ų59.417%0.16631%0.305CS..THydrogen-bonded Turntrans-101.75.6179.271.90000113.7L30 K31 L43 R45 L52 D778L30-T780 HydrophobicContact CD1-CG2 3.75Å; K31-T780 WeakPolarHBondContact CE-O 3.44Å; K31-T780 PolarHBondContact NZ-O 3.33Å; L43-T780 HydrophobicContact CD2-CG2 4.3Å; R45-T780 VanDerWaalsContact NH2-CG2 3.35Å; L52-T780 HydrophobicContact CD1-CG2 3.97Å; L52-T780 HydrophobicContact CD2-CG2 4.21Å; D778-T780 PolarHBondContact O-N 2.92Å; D778-T780 WeakPolarHBondContact OD1-CA 3.28Å; D778-T780 WeakPolarHBondContact OD1-CB 3.2Å; D778-T780 PolarHBondContact OD1-N 2.86Å; D778-T780 PolarHBondContact OD1-OG1 3.5Å
781D87.2Confident83.5Confident22 Ų2262.1 Ų62.112%0.11833%0.329CS..  trans-57.5143.6171-17313000110.7Y106 P776 E777 D778 S783Y106-D781 PolarHBondContact OH-O 2.65Å; P776-D781 WeakPolarHBondContact CA-OD2 3.38Å; P776-D781 HydrophobicContact CB-CB 3.67Å; E777-D781 PolarHBondContact N-OD2 3.02Å; D778-D781 VanDerWaalsContact O-CB 3.3Å; D778-D781 WeakPolarHBondContact O-CB 3.29Å; D778-D781 PolarHBondContact O-N 2.87Å; D781-S783 VanDerWaalsContact CG-OG 3.28Å; D781-S783 VanDerWaalsContact OD1-CB 3.29Å; D781-S783 WeakPolarHBondContact OD1-CB 3.48Å; D781-S783 PolarHBondContact OD1-N 3.1Å; D781-S783 PolarHBondContact OD1-OG 3.02Å; D781-S783 PolarHBondContact OD2-OG 2.96Å
782T87.3Confident82Confident8 Ų863.2 Ų63.25%0.04933%0.329CS..  trans-133.910.7-179.854.30000112.6K31 I33 L43 Y106 Y784 F785 E786K31-T782 HydrophobicContact CD-CG2 4.01Å; K31-T782 VanDerWaalsContact CE-CG2 3.43Å; K31-T782 PolarHBondContact NZ-OG1 2.66Å; I33-T782 HydrophobicContact CB-CG2 4.44Å; I33-T782 HydrophobicContact CG2-CG2 3.48Å; I33-T782 VanDerWaalsContact CG2-CG2 3.48Å; L43-T782 HydrophobicContact CD2-CG2 4.37Å; Y106-T782 WeakPolarHBondContact OH-CG2 3.29Å; T782-Y784 PolarHBondContact O-N 2.54Å; T782-Y784 VanDerWaalsContact O-N 3.16Å; T782-F785 HydrophobicContact CG2-CD2 4.5Å; T782-F785 WeakPolarHBondContact O-CA 3.34Å; T782-F785 WeakPolarHBondContact O-CB 3.37Å; T782-F785 PolarHBondContact O-N 3.14Å; T782-E786 PolarHBondContact O-N 3.13Å
783S84.8Confident80.3Confident46 Ų4670.5 Ų70.532%0.32236%0.363SS..Hα-helixtrans-45.4-43.4178.755.30000113.3D781 F785 E786D781-S783 VanDerWaalsContact CG-OG 3.28Å; D781-S783 VanDerWaalsContact OD1-CB 3.29Å; D781-S783 WeakPolarHBondContact OD1-CB 3.48Å; D781-S783 PolarHBondContact OD1-N 3.1Å; D781-S783 PolarHBondContact OD1-OG 3.02Å; D781-S783 PolarHBondContact OD2-OG 2.96Å; S783-F785 PolarHBondContact O-N 3.32Å; S783-E786 WeakPolarHBondContact O-CB 3.3Å; S783-E786 PolarHBondContact O-N 3.07Å
784Y84.9Confident78.6Confident44 Ų4468.1 Ų68.117%0.17335%0.35CS..Hα-helixtrans-64.3-17.1176.5-63.4-68.7000115.2I108 F772 P774 Q775 T782I108-Y784 WeakPolarHBondContact O-CD2 3.07Å; F772-Y784 HydrophobicContact CE2-CE1 4.11Å; F772-Y784 HydrophobicContact CZ-CD1 4.18Å; F772-Y784 AromaticContact CZ-CE1 3.6Å; F772-Y784 HydrophobicContact CZ-CE1 3.6Å; F772-Y784 AromaticContact CZ-CZ 3.96Å; P774-Y784 HydrophobicContact CB-CD2 4.34Å; P774-Y784 HydrophobicContact CB-CE2 3.8Å; Q775-Y784 PolarHBondContact N-OH 3.2Å; T782-Y784 PolarHBondContact O-N 2.54Å; T782-Y784 VanDerWaalsContact O-N 3.16Å
785F82.5Confident76.4Confident15 Ų1571 Ų717%0.06638%0.376CS..Hα-helixtrans-91.6-19.1170-62.1-89.2000112.7I33 Y106 L107 T782 S783 R788 N789I33-F785 HydrophobicContact CB-CG 4.46Å; I33-F785 HydrophobicContact CD1-CE1 4.41Å; I33-F785 HydrophobicContact CD1-CZ 4.3Å; Y106-F785 AromaticContact CE2-CE2 3.72Å; Y106-F785 HydrophobicContact CE2-CE2 3.72Å; Y106-F785 HydrophobicContact CE2-CZ 4.02Å; L107-F785 VanDerWaalsContact O-CZ 3.29Å; L107-F785 WeakPolarHBondContact O-CZ 3.41Å; T782-F785 HydrophobicContact CG2-CD2 4.5Å; T782-F785 WeakPolarHBondContact O-CA 3.34Å; T782-F785 WeakPolarHBondContact O-CB 3.37Å; T782-F785 PolarHBondContact O-N 3.14Å; S783-F785 PolarHBondContact O-N 3.32Å; F785-R788 WeakPolarHBondContact O-CB 3.34Å; F785-R788 PolarHBondContact O-N 3.44Å; F785-N789 PolarHBondContact O-N 2.85Å; F785-N789 VanDerWaalsContact O-N 3.09Å; F785-N789 PolarHBondContact O-ND2 2.96Å
786E77.2Confident74.6Confident98 Ų9866.1 Ų66.146%0.45836%0.357SS..Hα-helixtrans-70.4-33-177.9-65.8-178.9-165.100111.9T782 S783 R788 N789 N790T782-E786 PolarHBondContact O-N 3.13Å; S783-E786 WeakPolarHBondContact O-CB 3.3Å; S783-E786 PolarHBondContact O-N 3.07Å; E786-R788 PolarHBondContact O-N 3.5Å; E786-N789 PolarHBondContact O-N 3.02Å; E786-N790 VanDerWaalsContact O-CB 3.25Å; E786-N790 WeakPolarHBondContact O-CB 3.48Å; E786-N790 PolarHBondContact O-N 3.12Å; E786-N790 PolarHBondContact O-ND2 2.97Å
787A69.3Low72.3Confident27 Ų2768.6 Ų68.622%0.22338%0.375CS..Hα-helixtrans-54.2-50.6170.600000111.7A791A787-A791 VanDerWaalsContact O-CB 3.31Å; A787-A791 WeakPolarHBondContact O-CB 3.49Å; A787-A791 PolarHBondContact O-N 3.42Å
788R70.6Confident70Confident40 Ų4062.9 Ų62.915%0.15137%0.367CS..Hα-helixtrans-55.5-54.8173.6-170.3-164-174.867.413111.9D111 S114 D154 F785 E786 N790 A791 Q792D111-R788 IonicContact OD1-NH1 2.71Å; D111-R788 VanDerWaalsContact OD2-CD 3.26Å; D111-R788 WeakPolarHBondContact OD2-CD 3.37Å; D111-R788 IonicContact OD2-CZ 2.65Å; D111-R788 IonicContact OD2-NE 3.2Å; D111-R788 IonicContact OD2-NH1 2.68Å; D111-R788 PolarHBondContact OD2-NH1 3.12Å; S114-R788 WeakPolarHBondContact OG-CB 3.29Å; D154-R788 IonicContact OD1-CZ 2.69Å; D154-R788 IonicContact OD1-NH1 3.56Å; D154-R788 PolarHBondContact OD1-NH1 2.71Å; D154-R788 IonicContact OD1-NH2 3.63Å; D154-R788 PolarHBondContact OD1-NH2 3.24Å; F785-R788 WeakPolarHBondContact O-CB 3.34Å; F785-R788 PolarHBondContact O-N 3.44Å; E786-R788 PolarHBondContact O-N 3.5Å; R788-N790 VanDerWaalsContact C-N 3.34Å; R788-N790 PolarHBondContact O-N 2.89Å; R788-A791 PolarHBondContact O-N 3.26Å; R788-Q792 WeakPolarHBondContact O-CB 3.2Å; R788-Q792 WeakPolarHBondContact O-CG 3.43Å; R788-Q792 PolarHBondContact O-N 2.99Å
789N72.3Confident67.9Low9 Ų966.4 Ų66.45%0.04838%0.379CS..Hα-helixtrans-62.8-41.6-173.5-71.2-51.5000111.4I33 F785 E786 Q792 H793 I794 V796I33-N789 PolarHBondContact O-ND2 3.04Å; F785-N789 PolarHBondContact O-N 2.85Å; F785-N789 VanDerWaalsContact O-N 3.09Å; F785-N789 PolarHBondContact O-ND2 2.96Å; E786-N789 PolarHBondContact O-N 3.02Å; N789-Q792 PolarHBondContact O-N 2.96Å; N789-H793 PolarHBondContact O-N 3.47Å; N789-I794 HydrophobicContact CB-CB 4.3Å; N789-I794 PolarHBondContact O-N 3.46Å; N789-V796 HydrophobicContact CB-CG2 3.85Å
790N70.2Confident65.2Low111 Ų11164.8 Ų64.859%0.59438%0.382SS*.Hα-helixtrans-65.3-45.4176.6-71.6-34.9000112.2E786 R788 Q792 H793E786-N790 VanDerWaalsContact O-CB 3.25Å; E786-N790 WeakPolarHBondContact O-CB 3.48Å; E786-N790 PolarHBondContact O-N 3.12Å; E786-N790 PolarHBondContact O-ND2 2.97Å; R788-N790 VanDerWaalsContact C-N 3.34Å; R788-N790 PolarHBondContact O-N 2.89Å; N790-Q792 VanDerWaalsContact C-N 3.32Å; N790-Q792 PolarHBondContact O-N 3.26Å; N790-H793 PolarHBondContact O-N 3.23Å; N790-H793 VanDerWaalsContact O-N 3.1Å; N790-H793 PolarHBondContact O-ND1 2.98Å
791A59.1Low62.9Low66 Ų6668.4 Ų68.455%0.54540%0.4SS..Hα-helixtrans-63.7-3617800000112.6A787 R788 H793A787-A791 VanDerWaalsContact O-CB 3.31Å; A787-A791 WeakPolarHBondContact O-CB 3.49Å; A787-A791 PolarHBondContact O-N 3.42Å; R788-A791 PolarHBondContact O-N 3.26Å; A791-H793 PolarHBondContact O-N 3.29Å
792Q59.4Low61.7Low84 Ų8470.7 Ų70.739%0.39341%0.414SS..THydrogen-bonded Turntrans-84.15.4176.4-66.3178.7-900113.1R788 N789 N790 I794R788-Q792 WeakPolarHBondContact O-CB 3.2Å; R788-Q792 WeakPolarHBondContact O-CG 3.43Å; R788-Q792 PolarHBondContact O-N 2.99Å; N789-Q792 PolarHBondContact O-N 2.96Å; N790-Q792 VanDerWaalsContact C-N 3.32Å; N790-Q792 PolarHBondContact O-N 3.26Å; Q792-I794 HydrophobicContact CB-CD1 3.66Å; Q792-I794 HydrophobicContact CB-CG1 3.73Å; Q792-I794 PolarHBondContact O-N 3.16Å; Q792-I794 VanDerWaalsContact O-N 3.1Å
793H58.9Low60.4Low176 Ų17674 Ų7482%0.81543%0.433SS*.THydrogen-bonded Turntrans50.928.2-173.2-61.9-30.1000113.9N789 N790 A791 A795N789-H793 PolarHBondContact O-N 3.47Å; N790-H793 PolarHBondContact O-N 3.23Å; N790-H793 VanDerWaalsContact O-N 3.1Å; N790-H793 PolarHBondContact O-ND1 2.98Å; A791-H793 PolarHBondContact O-N 3.29Å; H793-A795 PolarHBondContact O-N 3.48Å
794I56.9Low59Low29 Ų2975.6 Ų75.615%0.14944%0.439CS..  trans-7893.5175.3-58.2170.6000107.2R35 N789 Q792 V796R35-I794 HydrophobicContact CB-CD1 4.35Å; R35-I794 HydrophobicContact CB-CG2 4.03Å; N789-I794 HydrophobicContact CB-CB 4.3Å; N789-I794 PolarHBondContact O-N 3.46Å; Q792-I794 HydrophobicContact CB-CD1 3.66Å; Q792-I794 HydrophobicContact CB-CG1 3.73Å; Q792-I794 PolarHBondContact O-N 3.16Å; Q792-I794 VanDerWaalsContact O-N 3.1Å; I794-V796 HydrophobicContact CG2-CG2 3.86Å; I794-V796 PolarHBondContact O-N 3Å
795A47.7Very low57.5Low72 Ų7277.4 Ų77.460%0.59546%0.455SS*.  trans-60.8100.3161.200000108.7H793 S797H793-A795 PolarHBondContact O-N 3.48Å; A795-S797 PolarHBondContact O-N 3.48Å
796V53.3Low55.9Low66 Ų6681.3 Ų81.340%0.448%0.479SS..  trans-7948.5171.7-164.50000109.3P32 N789 I794P32-V796 HydrophobicContact CB-CG1 3.63Å; P32-V796 HydrophobicContact CG-CG1 3.36Å; N789-V796 HydrophobicContact CB-CG2 3.85Å; I794-V796 HydrophobicContact CG2-CG2 3.86Å; I794-V796 PolarHBondContact O-N 3Å
797S39.7Very low54.5Low95 Ų9580.2 Ų80.266%0.66448%0.481SS*.  trans-94.4121.6-168.856.50000112.1A795A795-S797 PolarHBondContact O-N 3.48Å
798G41.4Very low53.4Low70 Ų7084 Ų8472%0.72250%0.499SS*.SBendtrans84.1141.3163.300000115.9S800G798-S800 PolarHBondContact O-N 3.06Å
799F44.9Very low52.1Low158 Ų15887.4 Ų87.469%0.69353%0.526SS*.  trans-76.3115.4168.6-81.1-100.9000110L801F799-L801 HydrophobicContact CD1-CD1 4.46Å
800S33.7Very low50.4Low97 Ų9793.9 Ų93.968%0.67857%0.566SS**  trans-151.2126.5163.6173.20000106.4G798G798-S800 PolarHBondContact O-N 3.06Å
801L39.9Very low48.6Very low103 Ų10392.4 Ų92.454%0.53956%0.563SS.*  trans-131.20-150.1-104172.7000114.8K99 F799K99-L801 PolarHBondContact NZ-OXT 3.13Å; F799-L801 HydrophobicContact CD1-CD1 4.46Å

Retrieved 801 of 801 residues in 341.7 ms (Link to these results)

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