A0A087YGE4_POEFO Loading...

Paired box protein Pax-6

AlphaFold DB (A0A3Q1GAP0), UniProt , Accession A0A087YGE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M37.2Very low37.3Very low238 Ų238165 Ų165100%1.17282%0.821SS**  0138.10-72.7177.4164.900108.1
2P36.9Very low37.4Very low126 Ų126169 Ų16982%0.81882%0.82SS**  trans-75.7145.3-179.931.4-34.1000111.5
3Q36Very low37.2Very low196 Ų196169.2 Ų169.292%0.91682%0.818SS**  trans-72.7155.2169-68.9169.2-39.500110.1
4K36.3Very low37.5Very low197 Ų197163.8 Ų163.886%0.85781%0.807SS**  trans-110.8122168.6-71.8-173.3176.3-176.30108.8
5E33.9Very low37.3Very low179 Ų179155.3 Ų155.384%0.83678%0.778SS**  trans-72136.9173.3-62.1176117.400110.2
6Y38.8Very low37.7Very low230 Ų230151.4 Ų151.490%0.90277%0.765SS**  trans-91.8122.6163.7-86-97.3000108.2
7H35.7Very low38Very low155 Ų155146.4 Ų146.472%0.71875%0.751SS**  trans-130.1104.2178.9-12789.5000112.3
8N35Very low38.2Very low117 Ų117142.5 Ų142.563%0.62674%0.739SS**  trans32.387.1154.3-67.4-59.4000118.7A10N8-A10 VanDerWaalsContact C-N 3.27Å; N8-A10 PolarHBondContact O-N 3.19Å
9Q36.3Very low38.2Very low199 Ų199142.7 Ų142.793%0.9374%0.738SS**THydrogen-bonded Turntrans-87.961.4162.8-169.3163.7-14.700111.1
10A41.8Very low38.3Very low76 Ų76143.2 Ų143.263%0.62874%0.739SS**THydrogen-bonded Turntrans-128.2-8.5-175.600000114.8N8N8-A10 VanDerWaalsContact C-N 3.27Å; N8-A10 PolarHBondContact O-N 3.19Å
11T42.5Very low38.7Very low102 Ų102143.8 Ų143.863%0.62674%0.739SS**SBendtrans-97.5-11.6-164.8-21.10000115.2
12W38.1Very low39.1Very low213 Ų213138.7 Ų138.781%0.80772%0.716SS**Hα-helixtrans-85.7-31.8-167.1-76.194.5000115
13E35.4Very low39.7Very low171 Ų171137 Ų13780%0.79971%0.707SS**Hα-helixtrans-79-39.9-175.6-62.4-169.5136.700112.7G15 V16 A17E13-G15 VanDerWaalsContact C-N 3.26Å; E13-G15 PolarHBondContact O-N 3Å; E13-V16 VanDerWaalsContact O-CG2 3.29Å; E13-V16 WeakPolarHBondContact O-CG2 3.45Å; E13-V16 PolarHBondContact O-N 3.13Å; E13-A17 PolarHBondContact O-N 3.29Å
14S40.6Very low40.8Very low94 Ų94134.4 Ų134.466%0.65770%0.695SS**Hα-helixtrans-64-29.7175-56.50000113.2S18S14-S18 PolarHBondContact O-N 2.98Å
15G35.1Very low42.5Very low36 Ų36127.2 Ų127.237%0.37167%0.669SS.*Hα-helixtrans-68.5-45.5179.300000113.2E13 S18 M19E13-G15 VanDerWaalsContact C-N 3.26Å; E13-G15 PolarHBondContact O-N 3Å; G15-S18 PolarHBondContact O-N 2.84Å; G15-M19 PolarHBondContact O-N 2.67Å; G15-M19 VanDerWaalsContact O-N 3.08Å
16V44.1Very low44.6Very low94 Ų94119.9 Ų119.957%0.5764%0.641SS**Hα-helixtrans-72-33.9-176.5-66.20000113.1E13 M20E13-V16 VanDerWaalsContact O-CG2 3.29Å; E13-V16 WeakPolarHBondContact O-CG2 3.45Å; E13-V16 PolarHBondContact O-N 3.13Å; V16-M20 PolarHBondContact O-N 3.4Å
17A42.1Very low46.6Very low65 Ų65113.8 Ų113.854%0.53763%0.628SS.*Hα-helixtrans-63.7-44173.900000111.8E13E13-A17 PolarHBondContact O-N 3.29Å
18S42.3Very low48.8Very low77 Ų77108.2 Ų108.254%0.53860%0.604SS.*Hα-helixtrans-65.4-44.7178.6-175.60000112.5S14 G15 M20 Q21S14-S18 PolarHBondContact O-N 2.98Å; G15-S18 PolarHBondContact O-N 2.84Å; S18-M20 VanDerWaalsContact C-N 3.33Å; S18-M20 PolarHBondContact O-N 2.92Å; S18-Q21 PolarHBondContact O-N 3.09Å
19M37.9Very low51Low146 Ų146112.5 Ų112.572%0.71962%0.62SS**Hα-helixtrans-63.2-32.6-179.7-82.2-172.3156.100114.4G15 S23G15-M19 PolarHBondContact O-N 2.67Å; G15-M19 VanDerWaalsContact O-N 3.08Å; M19-S23 PolarHBondContact O-OG 3.05Å; M19-S23 VanDerWaalsContact O-OG 3.05Å
20M40.9Very low52.8Low153 Ų153106 Ų10675%0.75459%0.591SS**Hα-helixtrans-74.8-30.2-177.9-77.4-160.9164.200114.3V16 S18V16-M20 PolarHBondContact O-N 3.4Å; S18-M20 VanDerWaalsContact C-N 3.33Å; S18-M20 PolarHBondContact O-N 2.92Å
21Q45.1Very low54.4Low156 Ų156104.1 Ų104.173%0.72958%0.579SS**Hα-helixtrans-73.5-45179-68.1-168.2-8.300112.2S18 S23 S25S18-Q21 PolarHBondContact O-N 3.09Å; Q21-S23 PolarHBondContact O-N 2.89Å; Q21-S23 VanDerWaalsContact O-N 3.07Å; Q21-S25 PolarHBondContact O-OG 2.92Å
22N46.1Very low56.1Low131 Ų13199.3 Ų99.370%0.70155%0.55SS*.THydrogen-bonded Turntrans-71.3-1.4-175.1-85.815.6000115.9
23S49.9Very low58.1Low90 Ų9092.5 Ų92.563%0.62953%0.532SS*.THydrogen-bonded Turntrans-97.7-3.5-175.5-610000114.6M19 Q21M19-S23 PolarHBondContact O-OG 3.05Å; M19-S23 VanDerWaalsContact O-OG 3.05Å; Q21-S23 PolarHBondContact O-N 2.89Å; Q21-S23 VanDerWaalsContact O-N 3.07Å
24H59.8Low60.3Low141 Ų14188.1 Ų88.165%0.65351%0.51SS*.THydrogen-bonded Turntrans-132.2-13-173.9-64.294.3000114.8
25S71.8Confident62.4Low47 Ų4787.1 Ų87.133%0.32950%0.5SS..EExtended strand (participates in β ladder)trans-81.5123.6169.637.30000110.3Q21 F34Q21-S25 PolarHBondContact O-OG 2.92Å; S25-F34 CarbonylContact C-O 3.52Å; S25-F34 WeakPolarHBondContact CA-O 3.49Å
26G77.3Confident64.6Low24 Ų2491.8 Ų91.825%0.24752%0.516CS..EExtended strand (participates in β ladder)trans-90.4154165.200000110.6V33 F34G26-V33 CarbonylContact O-C 3.59Å; G26-F34 PolarHBondContact N-O 2.76Å; G26-F34 WeakPolarHBondContact O-CD1 3.13Å; G26-F34 PolarHBondContact O-N 3.29Å
27V81.9Confident66.3Low103 Ų10390.1 Ų90.162%0.62452%0.518SS*.EExtended strand (participates in β ladder)trans-106.6129.2166.5-177.60000108G32V27-G32 WeakPolarHBondContact CA-O 3.46Å
28N80.7Confident68.4Low38 Ų3895.8 Ų95.820%0.20353%0.525CS..  trans-84.4172.3-179.472.441.5000111.8L30 G31 G32 F34 K78N28-L30 PolarHBondContact O-N 2.78Å; N28-L30 WeakPolarHBondContact OD1-CA 3.04Å; N28-L30 VanDerWaalsContact OD1-CB 3.29Å; N28-L30 WeakPolarHBondContact OD1-CB 3.31Å; N28-L30 PolarHBondContact OD1-N 2.75Å; N28-G31 PolarHBondContact O-N 2.9Å; N28-G31 PolarHBondContact OD1-N 2.7Å; N28-G32 VanDerWaalsContact CG-O 3.32Å; N28-G32 PolarHBondContact N-O 2.97Å; N28-G32 PolarHBondContact ND2-O 3Å; N28-G32 PolarHBondContact OD1-N 2.92Å; N28-G32 VanDerWaalsContact OD1-N 3.14Å; N28-F34 HydrophobicContact CB-CD1 3.91Å; N28-F34 HydrophobicContact CB-CE1 3.92Å; N28-K78 PolarHBondContact ND2-O 3.08Å
29Q80.8Confident70.7Confident206 Ų20695 Ų9596%0.96352%0.518SS*.THydrogen-bonded Turntrans-61.9-12.2-177.8-69.9177.8-17.600115.1
30L75.6Confident73.1Confident63 Ų6390.1 Ų90.133%0.3350%0.495SS..THydrogen-bonded Turntrans-93.2-3.8174.5-52.6171.3000112.1N28 Q66 K78N28-L30 PolarHBondContact O-N 2.78Å; N28-L30 WeakPolarHBondContact OD1-CA 3.04Å; N28-L30 VanDerWaalsContact OD1-CB 3.29Å; N28-L30 WeakPolarHBondContact OD1-CB 3.31Å; N28-L30 PolarHBondContact OD1-N 2.75Å; L30-Q66 HydrophobicContact CB-CG 4.36Å; L30-Q66 HydrophobicContact CD1-CG 4.39Å; L30-K78 HydrophobicContact CB-CB 4.16Å; L30-K78 WeakPolarHBondContact O-CD 3.29Å
31G74.8Confident75.3Confident37 Ų3785.7 Ų85.738%0.38148%0.478SS..SBendtrans82.318.5-17200000114.1N28N28-G31 PolarHBondContact O-N 2.9Å; N28-G31 PolarHBondContact OD1-N 2.7Å
32G77.9Confident77.4Confident0 Ų081.8 Ų81.80%046%0.462CS..  trans-92.9137.7178.600000113V27 N28V27-G32 WeakPolarHBondContact CA-O 3.46Å; N28-G32 VanDerWaalsContact CG-O 3.32Å; N28-G32 PolarHBondContact N-O 2.97Å; N28-G32 PolarHBondContact ND2-O 3Å; N28-G32 PolarHBondContact OD1-N 2.92Å; N28-G32 VanDerWaalsContact OD1-N 3.14Å
33V80.9Confident79.4Confident71 Ų7179.2 Ų79.243%0.4345%0.454SS..EExtended strand (participates in β ladder)trans-72.6140.7175.9-173.40000110.2G26G26-V33 CarbonylContact O-C 3.59Å
34F81.8Confident81.2Confident78 Ų7875.1 Ų75.134%0.34243%0.425SS..EExtended strand (participates in β ladder)trans-152150.2172.173.8-79.9000111.3S25 G26 N28 N36S25-F34 CarbonylContact C-O 3.52Å; S25-F34 WeakPolarHBondContact CA-O 3.49Å; G26-F34 PolarHBondContact N-O 2.76Å; G26-F34 WeakPolarHBondContact O-CD1 3.13Å; G26-F34 PolarHBondContact O-N 3.29Å; N28-F34 HydrophobicContact CB-CD1 3.91Å; N28-F34 HydrophobicContact CB-CE1 3.92Å; F34-N36 HydrophobicContact CE2-CB 4.11Å
35V84Confident82.7Confident73 Ų7369.2 Ų69.244%0.44240%0.397SS..EExtended strand (participates in β ladder)trans-99.1119.7172.7-1750000109.4R38V35-R38 HydrophobicContact CB-CB 4.08Å; V35-R38 HydrophobicContact CB-CG 3.94Å; V35-R38 HydrophobicContact CG1-CB 4.25Å; V35-R38 HydrophobicContact CG1-CG 3.56Å; V35-R38 PolarHBondContact O-N 3.22Å
36N80.9Confident83.7Confident135 Ų13571.2 Ų71.272%0.72240%0.401SS*.THydrogen-bonded Turntrans-64.9138.6-174.4-162.10.1000111.5F34 R38F34-N36 HydrophobicContact CE2-CB 4.11Å; N36-R38 PolarHBondContact O-N 3.43Å
37G81.1Confident84.3Confident58 Ų5874 Ų7460%0.59841%0.406SS*.THydrogen-bonded Turntrans71.41-175.300000116.1
38R86.1Confident84.8Confident184 Ų18469 Ų6969%0.69438%0.377SS*.SBendtrans-100.2155.3173.1-61.9-61.3-174.5168.92.2111.2V35 N36V35-R38 HydrophobicContact CB-CB 4.08Å; V35-R38 HydrophobicContact CB-CG 3.94Å; V35-R38 HydrophobicContact CG1-CB 4.25Å; V35-R38 HydrophobicContact CG1-CG 3.56Å; V35-R38 PolarHBondContact O-N 3.22Å; N36-R38 PolarHBondContact O-N 3.43Å
39P88.8Confident85.5Confident60 Ų6067.3 Ų67.339%0.3937%0.368SS..PPolyproline II helixtrans-68.2158.7164.133.2-34.8000109.8P99P39-P99 HydrophobicContact CB-CB 3.72Å; P39-P99 HydrophobicContact CB-CG 4.14Å; P39-P99 HydrophobicContact CG-CB 4.13Å; P39-P99 HydrophobicContact CG-CG 4.08Å
40L88.3Confident86.1Confident44 Ų4461.9 Ų61.923%0.2334%0.342CS..PPolyproline II helixtrans-61.4153.2165.2-85.465.4000109.9T44 R45 V79 I87L40-T44 HydrophobicContact CD2-CG2 4.44Å; L40-R45 HydrophobicContact CB-CG 3.81Å; L40-R45 WeakPolarHBondContact O-CD 3.49Å; L40-V79 HydrophobicContact CD2-CB 4.25Å; L40-V79 HydrophobicContact CD2-CG1 3.67Å; L40-V79 HydrophobicContact CD2-CG2 3.54Å; L40-I87 HydrophobicContact CD2-CD1 4.46Å
41P88.9Confident86.9Confident60 Ų6059.8 Ų59.839%0.3933%0.331SS..PPolyproline II helixtrans-49.6147.1169.2-30.338.5000113.4S43 T44 R45 E77P41-S43 VanDerWaalsContact CB-OG 3.29Å; P41-S43 WeakPolarHBondContact CB-OG 3.5Å; P41-S43 PolarHBondContact O-N 3.36Å; P41-T44 PolarHBondContact O-N 2.91Å; P41-T44 PolarHBondContact O-OG1 3.34Å; P41-T44 VanDerWaalsContact O-OG1 3.07Å; P41-R45 WeakPolarHBondContact O-CD 3.28Å; P41-R45 WeakPolarHBondContact O-CG 3.5Å; P41-R45 PolarHBondContact O-N 3.18Å; P41-E77 VanDerWaalsContact CD-OE1 3.26Å; P41-E77 WeakPolarHBondContact CD-OE1 3.42Å; P41-E77 VanDerWaalsContact CG-OE1 3.26Å; P41-E77 WeakPolarHBondContact CG-OE1 3.26Å
42D87.7Confident87.8Confident74 Ų7458.7 Ų58.740%0.39632%0.318SS..Hα-helixtrans-70.9-16.5179.9-79.4-16.3000112.2R45 Q46D42-R45 IonicContact OD1-CZ 2.7Å; D42-R45 IonicContact OD1-NH1 3.18Å; D42-R45 PolarHBondContact OD1-NH1 2.7Å; D42-Q46 VanDerWaalsContact O-CB 3.3Å; D42-Q46 WeakPolarHBondContact O-CB 3.36Å; D42-Q46 PolarHBondContact O-N 2.83Å
43S87.9Confident88.5Confident77 Ų7764.3 Ų64.354%0.53834%0.344SS..Hα-helixtrans-61.1-59.4167.944.40000112.7P41 R45 Q46 K47P41-S43 VanDerWaalsContact CB-OG 3.29Å; P41-S43 WeakPolarHBondContact CB-OG 3.5Å; P41-S43 PolarHBondContact O-N 3.36Å; S43-R45 PolarHBondContact O-N 2.94Å; S43-Q46 PolarHBondContact O-N 3.41Å; S43-K47 PolarHBondContact O-N 3.38Å
44T87.9Confident89.1Confident4 Ų465.2 Ų65.23%0.02535%0.354CS..Hα-helixtrans-54.4-41.4175.340000111L40 P41 K47 I48 E77 V79L40-T44 HydrophobicContact CD2-CG2 4.44Å; P41-T44 PolarHBondContact O-N 2.91Å; P41-T44 PolarHBondContact O-OG1 3.34Å; P41-T44 VanDerWaalsContact O-OG1 3.07Å; T44-K47 PolarHBondContact O-N 3.01Å; T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.36Å; T44-I48 PolarHBondContact O-N 3.27Å; T44-E77 WeakPolarHBondContact CB-OE2 3.23Å; T44-E77 HydrophobicContact CG2-CB 3.57Å; T44-E77 VanDerWaalsContact CG2-CD 3.42Å; T44-E77 HydrophobicContact CG2-CG 4.15Å; T44-E77 WeakPolarHBondContact CG2-OE1 3.19Å; T44-E77 VanDerWaalsContact CG2-OE2 3.23Å; T44-E77 WeakPolarHBondContact CG2-OE2 3.45Å; T44-E77 PolarHBondContact OG1-OE1 3.25Å; T44-E77 PolarHBondContact OG1-OE2 2.69Å; T44-E77 VanDerWaalsContact OG1-OE2 3.05Å; T44-V79 HydrophobicContact CG2-CG2 3.5Å; T44-V79 VanDerWaalsContact CG2-CG2 3.5Å
45R92.2Very high89.6Confident18 Ų1864.5 Ų64.57%0.06837%0.369CS..Hα-helixtrans-75.5-31.2-172-61.6172.772.9-113.8-19.2111.8L40 P41 D42 S43 V49 I87 I97 P99L40-R45 HydrophobicContact CB-CG 3.81Å; L40-R45 WeakPolarHBondContact O-CD 3.49Å; P41-R45 WeakPolarHBondContact O-CD 3.28Å; P41-R45 WeakPolarHBondContact O-CG 3.5Å; P41-R45 PolarHBondContact O-N 3.18Å; D42-R45 IonicContact OD1-CZ 2.7Å; D42-R45 IonicContact OD1-NH1 3.18Å; D42-R45 PolarHBondContact OD1-NH1 2.7Å; S43-R45 PolarHBondContact O-N 2.94Å; R45-V49 PolarHBondContact O-N 3.1Å; R45-I87 HydrophobicContact CG-CD1 3.93Å; R45-I97 PolarHBondContact NH1-O 3.41Å; R45-I97 PolarHBondContact NH2-O 3.3Å; R45-P99 VanDerWaalsContact NH1-CD 3.28Å
46Q92.6Very high90Very high89 Ų8962.1 Ų62.142%0.41636%0.357SS..Hα-helixtrans-66.1-45.4164.1-179.661.117.800111.1D42 S43 I48 V49 E50 I97D42-Q46 VanDerWaalsContact O-CB 3.3Å; D42-Q46 WeakPolarHBondContact O-CB 3.36Å; D42-Q46 PolarHBondContact O-N 2.83Å; S43-Q46 PolarHBondContact O-N 3.41Å; Q46-I48 VanDerWaalsContact C-N 3.34Å; Q46-I48 PolarHBondContact O-N 3.02Å; Q46-V49 PolarHBondContact O-N 2.89Å; Q46-V49 VanDerWaalsContact O-N 3.07Å; Q46-E50 PolarHBondContact O-N 3.06Å; Q46-I97 HydrophobicContact CB-CD1 4.48Å; Q46-I97 VanDerWaalsContact OE1-CD1 3.3Å
47K90.8Very high90.4Very high81 Ų8163 Ų6335%0.35235%0.35SS..Hα-helixtrans-64.7-35.6-178.5-162.653.6161.9-174.70113.3S43 T44 V49 E50 L51 L65S43-K47 PolarHBondContact O-N 3.38Å; T44-K47 PolarHBondContact O-N 3.01Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 3.36Å; K47-E50 HydrophobicContact CD-CB 4.38Å; K47-E50 WeakPolarHBondContact CD-OE2 3.39Å; K47-E50 IonicContact NZ-OE1 2.98Å; K47-E50 PolarHBondContact NZ-OE1 3.48Å; K47-E50 IonicContact NZ-OE2 2.7Å; K47-E50 PolarHBondContact NZ-OE2 2.92Å; K47-E50 PolarHBondContact O-N 2.65Å; K47-L51 HydrophobicContact CD-CG 4.49Å; K47-L51 HydrophobicContact CG-CD1 4.2Å; K47-L51 HydrophobicContact CG-CG 4.49Å; K47-L51 WeakPolarHBondContact O-CB 3.49Å; K47-L51 VanDerWaalsContact O-CG 3.27Å; K47-L51 WeakPolarHBondContact O-CG 3.45Å; K47-L51 PolarHBondContact O-N 2.71Å; K47-L65 HydrophobicContact CG-CD2 4.12Å
48I92.1Very high90.8Very high0 Ų062.6 Ų62.60%034%0.337CS..Hα-helixtrans-57.5-43.6170.8-76.6164.5000111.5T44 Q46 A52 I61 L65 V79 V84 I87 L88T44-I48 VanDerWaalsContact O-CG1 3.3Å; T44-I48 WeakPolarHBondContact O-CG1 3.36Å; T44-I48 PolarHBondContact O-N 3.27Å; Q46-I48 VanDerWaalsContact C-N 3.34Å; Q46-I48 PolarHBondContact O-N 3.02Å; I48-A52 WeakPolarHBondContact O-CB 3.42Å; I48-A52 PolarHBondContact O-N 3.35Å; I48-I61 HydrophobicContact CG1-CG2 4.18Å; I48-L65 HydrophobicContact CD1-CD1 4.19Å; I48-L65 HydrophobicContact CG1-CD1 3.51Å; I48-V79 HydrophobicContact CD1-CG1 4.13Å; I48-V79 HydrophobicContact CD1-CG2 4.3Å; I48-V84 HydrophobicContact CD1-CG2 4.24Å; I48-V84 HydrophobicContact CG1-CG2 4.39Å; I48-V84 HydrophobicContact CG2-CG1 4.05Å; I48-I87 HydrophobicContact CD1-CD1 3.61Å; I48-I87 HydrophobicContact CG2-CB 4.32Å; I48-I87 HydrophobicContact CG2-CG2 3.9Å; I48-L88 HydrophobicContact CG2-CD1 4.37Å; I48-L88 HydrophobicContact CG2-CD2 3.74Å; I48-L88 HydrophobicContact CG2-CG 3.8Å
49V93.9Very high90.8Very high2 Ų256.2 Ų56.21%0.01232%0.32CS..Hα-helixtrans-74.8-39.3-179.8169.20000111.4R45 Q46 K47 A52 H53 L88 Y91 I97R45-V49 PolarHBondContact O-N 3.1Å; Q46-V49 PolarHBondContact O-N 2.89Å; Q46-V49 VanDerWaalsContact O-N 3.07Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 3.36Å; V49-A52 PolarHBondContact O-N 3.19Å; V49-H53 WeakPolarHBondContact CG1-CE1 3.42Å; V49-H53 PolarHBondContact O-N 3.42Å; V49-H53 PolarHBondContact O-ND1 3.46Å; V49-L88 HydrophobicContact CG2-CD2 4.14Å; V49-Y91 HydrophobicContact CG1-CD1 3.91Å; V49-Y91 HydrophobicContact CG1-CD2 4.17Å; V49-Y91 HydrophobicContact CG1-CE1 3.6Å; V49-Y91 HydrophobicContact CG1-CE2 3.88Å; V49-Y91 HydrophobicContact CG1-CG 4.19Å; V49-Y91 HydrophobicContact CG2-CD1 4.08Å; V49-Y91 HydrophobicContact CG2-CD2 3.95Å; V49-Y91 HydrophobicContact CG2-CE2 4.47Å; V49-Y91 HydrophobicContact CG2-CG 3.75Å; V49-I97 HydrophobicContact CG2-CG2 4.22Å
50E93.8Very high90.7Very high91 Ų9155.4 Ų55.443%0.42531%0.312SS..Hα-helixtrans-58.2-49.8174.3-168.7-161.6139.700111.6Q46 K47 A52 H53 S54Q46-E50 PolarHBondContact O-N 3.06Å; K47-E50 HydrophobicContact CD-CB 4.38Å; K47-E50 WeakPolarHBondContact CD-OE2 3.39Å; K47-E50 IonicContact NZ-OE1 2.98Å; K47-E50 PolarHBondContact NZ-OE1 3.48Å; K47-E50 IonicContact NZ-OE2 2.7Å; K47-E50 PolarHBondContact NZ-OE2 2.92Å; K47-E50 PolarHBondContact O-N 2.65Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 2.9Å; E50-H53 PolarHBondContact O-N 2.94Å; E50-H53 VanDerWaalsContact O-N 3.14Å; E50-S54 PolarHBondContact O-N 2.71Å
51L91.9Very high90.7Very high20 Ų2053.3 Ų53.311%0.10530%0.301CS..Hα-helixtrans-65.8-31.4178.7-67.6169000112.6K47 S54 G55 A56 I61 I64 L65K47-L51 HydrophobicContact CD-CG 4.49Å; K47-L51 HydrophobicContact CG-CD1 4.2Å; K47-L51 HydrophobicContact CG-CG 4.49Å; K47-L51 WeakPolarHBondContact O-CB 3.49Å; K47-L51 VanDerWaalsContact O-CG 3.27Å; K47-L51 WeakPolarHBondContact O-CG 3.45Å; K47-L51 PolarHBondContact O-N 2.71Å; L51-S54 WeakPolarHBondContact CA-OG 3.43Å; L51-S54 PolarHBondContact O-N 3.4Å; L51-S54 PolarHBondContact O-OG 3.04Å; L51-G55 PolarHBondContact O-N 2.7Å; L51-A56 HydrophobicContact CB-CB 4.48Å; L51-A56 VanDerWaalsContact O-CB 3.24Å; L51-A56 WeakPolarHBondContact O-CB 3.47Å; L51-A56 PolarHBondContact O-N 3.18Å; L51-I61 HydrophobicContact CB-CD1 4.32Å; L51-I61 HydrophobicContact CB-CG1 3.87Å; L51-I61 HydrophobicContact CB-CG2 4.38Å; L51-I61 HydrophobicContact CD1-CG2 4.17Å; L51-I64 HydrophobicContact CD1-CB 4.32Å; L51-I64 HydrophobicContact CD1-CG2 3.72Å; L51-I64 HydrophobicContact CD2-CD1 4.44Å; L51-I64 HydrophobicContact CD2-CG2 4.15Å; L51-L65 HydrophobicContact CD1-CD2 4.27Å; L51-L65 HydrophobicContact CD1-CG 4.33Å
52A93.8Very high90.5Very high13 Ų1350.8 Ų50.811%0.10729%0.285CS..Hα-helixtrans-69.4-37.6172.700000112.1I48 V49 E50 S54 G55 I61 L88I48-A52 WeakPolarHBondContact O-CB 3.42Å; I48-A52 PolarHBondContact O-N 3.35Å; V49-A52 PolarHBondContact O-N 3.19Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 2.9Å; A52-S54 VanDerWaalsContact C-N 3.34Å; A52-G55 PolarHBondContact O-N 3.43Å; A52-G55 VanDerWaalsContact O-N 3.1Å; A52-I61 HydrophobicContact CB-CD1 3.78Å; A52-L88 HydrophobicContact CB-CD1 4.06Å; A52-L88 HydrophobicContact CB-CD2 3.54Å; A52-L88 HydrophobicContact CB-CG 4.48Å
53H94.1Very high90.3Very high119 Ų11954.8 Ų54.855%0.55129%0.294SS*.Hα-helixtrans-68.9-29.6173.1-67.8144.1000113.1V49 E50 G55 Y91V49-H53 WeakPolarHBondContact CG1-CE1 3.42Å; V49-H53 PolarHBondContact O-N 3.42Å; V49-H53 PolarHBondContact O-ND1 3.46Å; E50-H53 PolarHBondContact O-N 2.94Å; E50-H53 VanDerWaalsContact O-N 3.14Å; H53-G55 PolarHBondContact O-N 3.22Å; H53-Y91 AromaticContact CE1-CE1 3.64Å; H53-Y91 AromaticContact CE1-CZ 3.8Å; H53-Y91 PolarHBondContact CE1-OH 3.42Å; H53-Y91 AromaticContact NE2-CE1 3.53Å
54S93.6Very high90.1Very high89 Ų8953.5 Ų53.562%0.62228%0.281SS*.THydrogen-bonded Turntrans-77.712.3169.175.40000113.6E50 L51 A52E50-S54 PolarHBondContact O-N 2.71Å; L51-S54 WeakPolarHBondContact CA-OG 3.43Å; L51-S54 PolarHBondContact O-N 3.4Å; L51-S54 PolarHBondContact O-OG 3.04Å; A52-S54 VanDerWaalsContact C-N 3.34Å
55G91.5Very high89.7Confident64 Ų6454.7 Ų54.766%0.6629%0.287SS*.THydrogen-bonded Turntrans82.76.217300000116.2L51 A52 H53L51-G55 PolarHBondContact O-N 2.7Å; A52-G55 PolarHBondContact O-N 3.43Å; A52-G55 VanDerWaalsContact O-N 3.1Å; H53-G55 PolarHBondContact O-N 3.22Å
56A91.5Very high88.6Confident23 Ų2356.8 Ų56.819%0.1930%0.298CS..  trans-72136.9177.400000111.1L51 I61 I64L51-A56 HydrophobicContact CB-CB 4.48Å; L51-A56 VanDerWaalsContact O-CB 3.24Å; L51-A56 WeakPolarHBondContact O-CB 3.47Å; L51-A56 PolarHBondContact O-N 3.18Å; A56-I61 HydrophobicContact CB-CD1 4.45Å; A56-I61 HydrophobicContact CB-CG1 3.71Å; A56-I61 WeakPolarHBondContact O-CD1 3.35Å; A56-I64 HydrophobicContact CB-CD1 4.25Å
57R90.4Very high87.1Confident153 Ų15357 Ų5758%0.57731%0.305SS*.  trans-75.8155.3177.9-53.6171.7-60.6172.77.9110C59 D60 I61R57-C59 PolarHBondContact O-N 3.19Å; R57-D60 WeakPolarHBondContact CB-OD2 3.42Å; R57-D60 IonicContact CZ-OD1 3.03Å; R57-D60 IonicContact CZ-OD2 3.85Å; R57-D60 VanDerWaalsContact CZ-OD2 3.27Å; R57-D60 IonicContact NE-OD1 3.57Å; R57-D60 IonicContact NE-OD2 3.97Å; R57-D60 PolarHBondContact NE-OD2 3.49Å; R57-D60 VanDerWaalsContact NH2-CG 3.34Å; R57-D60 IonicContact NH2-OD1 2.61Å; R57-D60 PolarHBondContact NH2-OD1 2.95Å; R57-D60 IonicContact NH2-OD2 2.88Å; R57-D60 PolarHBondContact NH2-OD2 3.31Å; R57-D60 WeakPolarHBondContact O-CA 3.44Å; R57-D60 PolarHBondContact O-N 2.94Å; R57-I61 WeakPolarHBondContact O-CG1 3.3Å; R57-I61 PolarHBondContact O-N 3.49Å
58P88.2Confident85.4Confident50 Ų5060.8 Ų60.833%0.32532%0.324SS..Hα-helixtrans-54.5-31.4-177.5-28.935.9000115.7S62 V84 L88P58-S62 WeakPolarHBondContact O-CB 3.35Å; P58-S62 PolarHBondContact O-N 2.84Å; P58-S62 VanDerWaalsContact O-N 3.15Å; P58-V84 HydrophobicContact CB-CG1 4.1Å; P58-L88 HydrophobicContact CB-CD1 4.44Å; P58-L88 HydrophobicContact CG-CD1 4.05Å
59C86.7Confident83.5Confident50 Ų5063.6 Ų63.634%0.33834%0.339SS..Hα-helixtrans-70.3-36.6173.350.30000113.3R57 R63R57-C59 PolarHBondContact O-N 3.19Å; C59-R63 PolarHBondContact O-N 3.29Å
60D87.2Confident81.4Confident43 Ų4372.4 Ų72.423%0.2338%0.38CS..Hα-helixtrans-77.3-39178.4-49.9-41.6000110.1R57 S62 R63 I64R57-D60 WeakPolarHBondContact CB-OD2 3.42Å; R57-D60 IonicContact CZ-OD1 3.03Å; R57-D60 IonicContact CZ-OD2 3.85Å; R57-D60 VanDerWaalsContact CZ-OD2 3.27Å; R57-D60 IonicContact NE-OD1 3.57Å; R57-D60 IonicContact NE-OD2 3.97Å; R57-D60 PolarHBondContact NE-OD2 3.49Å; R57-D60 VanDerWaalsContact NH2-CG 3.34Å; R57-D60 IonicContact NH2-OD1 2.61Å; R57-D60 PolarHBondContact NH2-OD1 2.95Å; R57-D60 IonicContact NH2-OD2 2.88Å; R57-D60 PolarHBondContact NH2-OD2 3.31Å; R57-D60 WeakPolarHBondContact O-CA 3.44Å; R57-D60 PolarHBondContact O-N 2.94Å; D60-S62 PolarHBondContact O-N 3.06Å; D60-R63 CarbonylContact O-C 3.6Å; D60-R63 WeakPolarHBondContact O-CA 3.42Å; D60-R63 WeakPolarHBondContact O-CB 3.45Å; D60-R63 PolarHBondContact O-N 2.81Å; D60-I64 VanDerWaalsContact O-CG1 3.28Å; D60-I64 WeakPolarHBondContact O-CG1 3.36Å; D60-I64 PolarHBondContact O-N 3.49Å
61I87.9Confident79.3Confident0 Ų074.3 Ų74.30%040%0.397CS..Hα-helixtrans-55.4-49.3171.3-64.4171.2000110.7I48 L51 A52 A56 R57 R63 I64 L65 V84 L88I48-I61 HydrophobicContact CG1-CG2 4.18Å; L51-I61 HydrophobicContact CB-CD1 4.32Å; L51-I61 HydrophobicContact CB-CG1 3.87Å; L51-I61 HydrophobicContact CB-CG2 4.38Å; L51-I61 HydrophobicContact CD1-CG2 4.17Å; A52-I61 HydrophobicContact CB-CD1 3.78Å; A56-I61 HydrophobicContact CB-CD1 4.45Å; A56-I61 HydrophobicContact CB-CG1 3.71Å; A56-I61 WeakPolarHBondContact O-CD1 3.35Å; R57-I61 WeakPolarHBondContact O-CG1 3.3Å; R57-I61 PolarHBondContact O-N 3.49Å; I61-R63 PolarHBondContact O-N 3.05Å; I61-I64 PolarHBondContact O-N 3.22Å; I61-L65 HydrophobicContact CG2-CD1 3.85Å; I61-L65 HydrophobicContact CG2-CG 4.5Å; I61-L65 WeakPolarHBondContact O-CG 3.11Å; I61-L65 PolarHBondContact O-N 3.27Å; I61-V84 HydrophobicContact CB-CG1 4.08Å; I61-V84 HydrophobicContact CD1-CG1 4.43Å; I61-V84 HydrophobicContact CG2-CG1 3.79Å; I61-V84 HydrophobicContact CG2-CG2 4.34Å; I61-L88 HydrophobicContact CD1-CD1 3.88Å
62S85.4Confident77Confident6 Ų680.7 Ų80.74%0.04243%0.427CS..Hα-helixtrans-60.2-32.8177.2-178.20000112.1P58 D60 Q66 V79 N81P58-S62 WeakPolarHBondContact O-CB 3.35Å; P58-S62 PolarHBondContact O-N 2.84Å; P58-S62 VanDerWaalsContact O-N 3.15Å; D60-S62 PolarHBondContact O-N 3.06Å; S62-Q66 WeakPolarHBondContact O-CG 3.4Å; S62-Q66 PolarHBondContact O-N 2.76Å; S62-Q66 PolarHBondContact O-NE2 3.11Å; S62-V79 PolarHBondContact OG-O 2.9Å; S62-N81 PolarHBondContact OG-N 2.88Å
63R83.6Confident74.8Confident158 Ų15886.4 Ų86.460%0.59646%0.46SS*.Hα-helixtrans-76.8-41.3176.3-168.7-172.5-55.6-78.90.4112.7C59 D60 I61 L65 Q66 T67C59-R63 PolarHBondContact O-N 3.29Å; D60-R63 CarbonylContact O-C 3.6Å; D60-R63 WeakPolarHBondContact O-CA 3.42Å; D60-R63 WeakPolarHBondContact O-CB 3.45Å; D60-R63 PolarHBondContact O-N 2.81Å; I61-R63 PolarHBondContact O-N 3.05Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 2.72Å; R63-Q66 WeakPolarHBondContact O-CA 3.49Å; R63-Q66 VanDerWaalsContact O-CB 3.3Å; R63-Q66 WeakPolarHBondContact O-CB 3.49Å; R63-Q66 PolarHBondContact O-N 3.23Å; R63-T67 PolarHBondContact O-N 3.08Å; R63-T67 PolarHBondContact O-OG1 3.33Å
64I82.4Confident72.6Confident50 Ų5088.7 Ų88.726%0.25648%0.475SS..Hα-helixtrans-58.9-46.5175.3-71.1161.8000109.3L51 A56 D60 I61 Q66 T67 H68L51-I64 HydrophobicContact CD1-CB 4.32Å; L51-I64 HydrophobicContact CD1-CG2 3.72Å; L51-I64 HydrophobicContact CD2-CD1 4.44Å; L51-I64 HydrophobicContact CD2-CG2 4.15Å; A56-I64 HydrophobicContact CB-CD1 4.25Å; D60-I64 VanDerWaalsContact O-CG1 3.28Å; D60-I64 WeakPolarHBondContact O-CG1 3.36Å; D60-I64 PolarHBondContact O-N 3.49Å; I61-I64 PolarHBondContact O-N 3.22Å; I64-Q66 PolarHBondContact O-N 2.94Å; I64-Q66 VanDerWaalsContact O-N 3.1Å; I64-T67 PolarHBondContact O-N 3.13Å; I64-T67 PolarHBondContact O-OG1 3.03Å; I64-H68 HydrophobicContact CG2-CB 4.43Å; I64-H68 WeakPolarHBondContact O-CB 3.47Å; I64-H68 PolarHBondContact O-N 3.37Å; I64-H68 VanDerWaalsContact O-N 3.11Å
65L79.7Confident70.6Confident30 Ų3088.9 Ų88.916%0.15747%0.469CS..Hα-helixtrans-68.1-4.3174.5-61.8169.7000114K47 I48 L51 I61 R63 K78 V79K47-L65 HydrophobicContact CG-CD2 4.12Å; I48-L65 HydrophobicContact CD1-CD1 4.19Å; I48-L65 HydrophobicContact CG1-CD1 3.51Å; L51-L65 HydrophobicContact CD1-CD2 4.27Å; L51-L65 HydrophobicContact CD1-CG 4.33Å; I61-L65 HydrophobicContact CG2-CD1 3.85Å; I61-L65 HydrophobicContact CG2-CG 4.5Å; I61-L65 WeakPolarHBondContact O-CG 3.11Å; I61-L65 PolarHBondContact O-N 3.27Å; R63-L65 VanDerWaalsContact C-N 3.31Å; R63-L65 PolarHBondContact O-N 2.72Å; L65-K78 WeakPolarHBondContact O-CA 3.37Å; L65-V79 HydrophobicContact CD1-CB 4.21Å; L65-V79 HydrophobicContact CD1-CG2 4.07Å
66Q69.8Low68.8Low62 Ų6288.2 Ų88.229%0.2945%0.454SS..Hα-helixtrans-93.8-20168.7-74.3161.260.100113.5L30 S62 R63 I64 K78L30-Q66 HydrophobicContact CB-CG 4.36Å; L30-Q66 HydrophobicContact CD1-CG 4.39Å; S62-Q66 WeakPolarHBondContact O-CG 3.4Å; S62-Q66 PolarHBondContact O-N 2.76Å; S62-Q66 PolarHBondContact O-NE2 3.11Å; R63-Q66 WeakPolarHBondContact O-CA 3.49Å; R63-Q66 VanDerWaalsContact O-CB 3.3Å; R63-Q66 WeakPolarHBondContact O-CB 3.49Å; R63-Q66 PolarHBondContact O-N 3.23Å; I64-Q66 PolarHBondContact O-N 2.94Å; I64-Q66 VanDerWaalsContact O-N 3.1Å; Q66-K78 HydrophobicContact CB-CD 4.47Å; Q66-K78 HydrophobicContact CG-CB 3.93Å; Q66-K78 HydrophobicContact CG-CD 4.34Å; Q66-K78 HydrophobicContact CG-CG 4.33Å
67T61.5Low67.5Low93 Ų9388.9 Ų88.957%0.57145%0.454SS*.Hα-helixtrans-118.2-17.9-167.158.10000115.3R63 I64 D69R63-T67 PolarHBondContact O-N 3.08Å; R63-T67 PolarHBondContact O-OG1 3.33Å; I64-T67 PolarHBondContact O-N 3.13Å; I64-T67 PolarHBondContact O-OG1 3.03Å; T67-D69 VanDerWaalsContact C-N 3.33Å; T67-D69 PolarHBondContact O-N 3.45Å
68H54.7Low66.8Low160 Ų16084.5 Ų84.574%0.74144%0.439SS*.  trans-89.122.6-159.7-136.5-65.2000116.8I64I64-H68 HydrophobicContact CG2-CB 4.43Å; I64-H68 WeakPolarHBondContact O-CB 3.47Å; I64-H68 PolarHBondContact O-N 3.37Å; I64-H68 VanDerWaalsContact O-N 3.11Å
69D51.1Low66.5Low59 Ų5982.4 Ų82.432%0.31643%0.425SS..  trans-132.277.7-176-175.422.6000112.2T67 Q72T67-D69 VanDerWaalsContact C-N 3.33Å; T67-D69 PolarHBondContact O-N 3.45Å; D69-Q72 PolarHBondContact OD1-N 3Å
70E49.8Very low66.5Low188 Ų18882.7 Ų82.788%0.87943%0.428SS*.SBendtrans-100.512.1166.3-67.7-164.4128.200112.2
71V51.4Low66.5Low130 Ų13084 Ų8479%0.78844%0.435SS*.SBendtrans-127.9-26.3-168.7-173.60000114.1
72Q42.7Very low66.5Low155 Ų15586.6 Ų86.672%0.72446%0.461SS*.  trans-137.781.3178.7-68.3-167.1-12.700112.6D69 L74D69-Q72 PolarHBondContact OD1-N 3Å; Q72-L74 PolarHBondContact O-N 3.41Å
73V47.4Very low66.7Low132 Ų13287.7 Ų87.780%0.847%0.469SS*.THydrogen-bonded Turntrans-66.659.5-173.5-1630000114.1
74L47.9Very low67.1Low167 Ų16780.2 Ų80.287%0.87444%0.44SS*.THydrogen-bonded Turntrans-140.4-19.3179.4-96.3171.4000115.8Q72Q72-L74 PolarHBondContact O-N 3.41Å
75D51Low67.6Low94 Ų9480.4 Ų80.450%0.50345%0.446SS..  trans-147.876.1173.8-148.7-6.7000113.6E77D75-E77 HydrophobicContact CB-CG 4.4Å; D75-E77 PolarHBondContact O-N 2.84Å
76S54.2Low68.2Low49 Ų4986.4 Ų86.434%0.34347%0.471SS..  trans-72.776173.7-63.40000111.6K78S76-K78 PolarHBondContact O-N 2.9Å
77E63.8Low69.3Low38 Ų3884.1 Ų84.118%0.17846%0.461CS..  trans-70.861.1-178.3-60.6-159.984.700113.7P41 T44 D75 V79P41-E77 VanDerWaalsContact CD-OE1 3.26Å; P41-E77 WeakPolarHBondContact CD-OE1 3.42Å; P41-E77 VanDerWaalsContact CG-OE1 3.26Å; P41-E77 WeakPolarHBondContact CG-OE1 3.26Å; T44-E77 WeakPolarHBondContact CB-OE2 3.23Å; T44-E77 HydrophobicContact CG2-CB 3.57Å; T44-E77 VanDerWaalsContact CG2-CD 3.42Å; T44-E77 HydrophobicContact CG2-CG 4.15Å; T44-E77 WeakPolarHBondContact CG2-OE1 3.19Å; T44-E77 VanDerWaalsContact CG2-OE2 3.23Å; T44-E77 WeakPolarHBondContact CG2-OE2 3.45Å; T44-E77 PolarHBondContact OG1-OE1 3.25Å; T44-E77 PolarHBondContact OG1-OE2 2.69Å; T44-E77 VanDerWaalsContact OG1-OE2 3.05Å; D75-E77 HydrophobicContact CB-CG 4.4Å; D75-E77 PolarHBondContact O-N 2.84Å; E77-V79 VanDerWaalsContact O-CG2 3.24Å; E77-V79 WeakPolarHBondContact O-CG2 3.47Å; E77-V79 PolarHBondContact O-N 3.02Å
78K76.6Confident70.9Confident60 Ų6080 Ų8026%0.26144%0.435SS..  trans-70.691.2-176.4-49.3-174.7174.3169.10112.2N28 L30 L65 Q66 S76N28-K78 PolarHBondContact ND2-O 3.08Å; L30-K78 HydrophobicContact CB-CB 4.16Å; L30-K78 WeakPolarHBondContact O-CD 3.29Å; L65-K78 WeakPolarHBondContact O-CA 3.37Å; Q66-K78 HydrophobicContact CB-CD 4.47Å; Q66-K78 HydrophobicContact CG-CB 3.93Å; Q66-K78 HydrophobicContact CG-CD 4.34Å; Q66-K78 HydrophobicContact CG-CG 4.33Å; S76-K78 PolarHBondContact O-N 2.9Å
79V82.3Confident72.7Confident6 Ų673.8 Ų73.84%0.03641%0.414CS..  trans-78.7133.2-173-1720000113.2L40 T44 I48 S62 L65 E77 C83 V84L40-V79 HydrophobicContact CD2-CB 4.25Å; L40-V79 HydrophobicContact CD2-CG1 3.67Å; L40-V79 HydrophobicContact CD2-CG2 3.54Å; T44-V79 HydrophobicContact CG2-CG2 3.5Å; T44-V79 VanDerWaalsContact CG2-CG2 3.5Å; I48-V79 HydrophobicContact CD1-CG1 4.13Å; I48-V79 HydrophobicContact CD1-CG2 4.3Å; S62-V79 PolarHBondContact OG-O 2.9Å; L65-V79 HydrophobicContact CD1-CB 4.21Å; L65-V79 HydrophobicContact CD1-CG2 4.07Å; E77-V79 VanDerWaalsContact O-CG2 3.24Å; E77-V79 WeakPolarHBondContact O-CG2 3.47Å; E77-V79 PolarHBondContact O-N 3.02Å; V79-C83 HydrophobicContact CG1-CB 3.71Å; V79-V84 HydrophobicContact CB-CG2 4.22Å; V79-V84 HydrophobicContact CG1-CG2 3.78Å
80S85.6Confident74.7Confident57 Ų5773.1 Ų73.140%0.39941%0.407SS..  trans-71.3142.3174.668.50000113.2G82 C83 V84S80-G82 VanDerWaalsContact C-N 3.28Å; S80-G82 PolarHBondContact O-N 3.45Å; S80-C83 WeakPolarHBondContact O-CA 3.46Å; S80-C83 VanDerWaalsContact O-CB 3.27Å; S80-C83 WeakPolarHBondContact O-CB 3.48Å; S80-C83 PolarHBondContact O-N 3.17Å; S80-V84 PolarHBondContact O-N 3.04Å; S80-V84 VanDerWaalsContact O-N 3.07Å
81N88Confident76.8Confident71 Ų7166.6 Ų66.638%0.3838%0.375SS..Hα-helixtrans-54.1-39.8-177.7-175.2-30000113.2S62 C83 V84 S85S62-N81 PolarHBondContact OG-N 2.88Å; N81-C83 PolarHBondContact O-N 3.35Å; N81-V84 PolarHBondContact O-N 2.8Å; N81-S85 WeakPolarHBondContact O-CB 3.46Å; N81-S85 PolarHBondContact O-N 3.1Å; N81-S85 PolarHBondContact O-OG 3.36Å; N81-S85 VanDerWaalsContact O-OG 3.11Å; N81-S85 PolarHBondContact OD1-OG 3.47Å
82G88.7Confident78.9Confident53 Ų5367.4 Ų67.455%0.54637%0.365SS..Hα-helixtrans-65.8-21.5174.900000114.6S80 K86S80-G82 VanDerWaalsContact C-N 3.28Å; S80-G82 PolarHBondContact O-N 3.45Å; G82-K86 VanDerWaalsContact O-CB 3.32Å; G82-K86 WeakPolarHBondContact O-CB 3.43Å; G82-K86 PolarHBondContact O-N 2.95Å
83C89.3Confident81.3Confident30 Ų3066.5 Ų66.520%0.20336%0.361CS..Hα-helixtrans-81-47.1170.3-168.70000111.1V79 S80 N81 S85 K86 I87V79-C83 HydrophobicContact CG1-CB 3.71Å; S80-C83 WeakPolarHBondContact O-CA 3.46Å; S80-C83 VanDerWaalsContact O-CB 3.27Å; S80-C83 WeakPolarHBondContact O-CB 3.48Å; S80-C83 PolarHBondContact O-N 3.17Å; N81-C83 PolarHBondContact O-N 3.35Å; C83-S85 PolarHBondContact O-N 3.08Å; C83-K86 PolarHBondContact O-N 2.97Å; C83-K86 VanDerWaalsContact O-N 3.12Å; C83-I87 WeakPolarHBondContact O-CG1 3.4Å; C83-I87 PolarHBondContact O-N 3.3Å
84V91.9Very high83.4Confident0 Ų063.5 Ų63.50%034%0.343CS..Hα-helixtrans-51.6-53.1174177.30000110.7I48 P58 I61 V79 S80 N81 K86 I87 L88I48-V84 HydrophobicContact CD1-CG2 4.24Å; I48-V84 HydrophobicContact CG1-CG2 4.39Å; I48-V84 HydrophobicContact CG2-CG1 4.05Å; P58-V84 HydrophobicContact CB-CG1 4.1Å; I61-V84 HydrophobicContact CB-CG1 4.08Å; I61-V84 HydrophobicContact CD1-CG1 4.43Å; I61-V84 HydrophobicContact CG2-CG1 3.79Å; I61-V84 HydrophobicContact CG2-CG2 4.34Å; V79-V84 HydrophobicContact CB-CG2 4.22Å; V79-V84 HydrophobicContact CG1-CG2 3.78Å; S80-V84 PolarHBondContact O-N 3.04Å; S80-V84 VanDerWaalsContact O-N 3.07Å; N81-V84 PolarHBondContact O-N 2.8Å; V84-K86 VanDerWaalsContact C-N 3.31Å; V84-K86 PolarHBondContact O-N 3.5Å; V84-I87 PolarHBondContact O-N 2.81Å; V84-I87 VanDerWaalsContact O-N 3.16Å; V84-L88 HydrophobicContact CG1-CD1 3.84Å; V84-L88 HydrophobicContact CG1-CG 4.42Å; V84-L88 WeakPolarHBondContact O-CG 3.33Å; V84-L88 PolarHBondContact O-N 3Å
85S93Very high85.5Confident54 Ų5458.1 Ų58.138%0.37833%0.328SS..Hα-helixtrans-60.6-37.7179.7-61.50000112.8N81 C83 G89N81-S85 WeakPolarHBondContact O-CB 3.46Å; N81-S85 PolarHBondContact O-N 3.1Å; N81-S85 PolarHBondContact O-OG 3.36Å; N81-S85 VanDerWaalsContact O-OG 3.11Å; N81-S85 PolarHBondContact OD1-OG 3.47Å; C83-S85 PolarHBondContact O-N 3.08Å; S85-G89 PolarHBondContact O-N 3.06Å
86K92.7Very high87.4Confident157 Ų15755.9 Ų55.968%0.68332%0.319SS*.Hα-helixtrans-71.8-30.3178-173.3176.7-63.4179.70112.9G82 C83 V84 R90G82-K86 VanDerWaalsContact O-CB 3.32Å; G82-K86 WeakPolarHBondContact O-CB 3.43Å; G82-K86 PolarHBondContact O-N 2.95Å; C83-K86 PolarHBondContact O-N 2.97Å; C83-K86 VanDerWaalsContact O-N 3.12Å; V84-K86 VanDerWaalsContact C-N 3.31Å; V84-K86 PolarHBondContact O-N 3.5Å; K86-R90 WeakPolarHBondContact O-CB 3.47Å; K86-R90 WeakPolarHBondContact O-CG 3.47Å; K86-R90 PolarHBondContact O-N 3.35Å
87I92.1Very high89.1Confident14 Ų1455.8 Ų55.87%0.07231%0.314CS..Hα-helixtrans-74.2-47.5173.7-70.1158.5000110L40 R45 I48 C83 V84 R90 Y91L40-I87 HydrophobicContact CD2-CD1 4.46Å; R45-I87 HydrophobicContact CG-CD1 3.93Å; I48-I87 HydrophobicContact CD1-CD1 3.61Å; I48-I87 HydrophobicContact CG2-CB 4.32Å; I48-I87 HydrophobicContact CG2-CG2 3.9Å; C83-I87 WeakPolarHBondContact O-CG1 3.4Å; C83-I87 PolarHBondContact O-N 3.3Å; V84-I87 PolarHBondContact O-N 2.81Å; V84-I87 VanDerWaalsContact O-N 3.16Å; I87-R90 WeakPolarHBondContact O-CB 3.44Å; I87-R90 PolarHBondContact O-N 3.18Å; I87-Y91 WeakPolarHBondContact O-CB 3.23Å; I87-Y91 PolarHBondContact O-N 3.1Å
88L93.9Very high90.4Very high6 Ų662.2 Ų62.23%0.03134%0.337CS..Hα-helixtrans-66-43.8-178.3-68.5176000112.8I48 V49 A52 P58 I61 V84 R90 Y91 Y92I48-L88 HydrophobicContact CG2-CD1 4.37Å; I48-L88 HydrophobicContact CG2-CD2 3.74Å; I48-L88 HydrophobicContact CG2-CG 3.8Å; V49-L88 HydrophobicContact CG2-CD2 4.14Å; A52-L88 HydrophobicContact CB-CD1 4.06Å; A52-L88 HydrophobicContact CB-CD2 3.54Å; A52-L88 HydrophobicContact CB-CG 4.48Å; P58-L88 HydrophobicContact CB-CD1 4.44Å; P58-L88 HydrophobicContact CG-CD1 4.05Å; I61-L88 HydrophobicContact CD1-CD1 3.88Å; V84-L88 HydrophobicContact CG1-CD1 3.84Å; V84-L88 HydrophobicContact CG1-CG 4.42Å; V84-L88 WeakPolarHBondContact O-CG 3.33Å; V84-L88 PolarHBondContact O-N 3Å; L88-R90 PolarHBondContact O-N 3.28Å; L88-Y91 WeakPolarHBondContact O-CB 3.36Å; L88-Y91 PolarHBondContact O-N 3.18Å; L88-Y91 VanDerWaalsContact O-N 3.08Å; L88-Y92 HydrophobicContact CB-CD2 4.49Å; L88-Y92 HydrophobicContact CB-CE2 4.02Å; L88-Y92 WeakPolarHBondContact O-CD2 3.39Å; L88-Y92 PolarHBondContact O-N 3.02Å
89G93Very high91Very high30 Ų3061.8 Ų61.831%0.30934%0.341SS..Hα-helixtrans-56.9-50173.800000112S85 Y91 Y92 E93S85-G89 PolarHBondContact O-N 3.06Å; G89-Y91 PolarHBondContact O-N 3.3Å; G89-Y92 PolarHBondContact O-N 3.45Å; G89-E93 WeakPolarHBondContact O-CB 3.46Å; G89-E93 VanDerWaalsContact O-CG 3.24Å; G89-E93 WeakPolarHBondContact O-CG 3.22Å; G89-E93 PolarHBondContact O-N 2.94Å
90R93.4Very high91.2Very high45 Ų4569.8 Ų69.817%0.1737%0.37CS..Hα-helixtrans-58.7-31.9173.8-89.9-83.9-63.910410.6114K86 I87 L88 T94 R98K86-R90 WeakPolarHBondContact O-CB 3.47Å; K86-R90 WeakPolarHBondContact O-CG 3.47Å; K86-R90 PolarHBondContact O-N 3.35Å; I87-R90 WeakPolarHBondContact O-CB 3.44Å; I87-R90 PolarHBondContact O-N 3.18Å; L88-R90 PolarHBondContact O-N 3.28Å; R90-T94 VanDerWaalsContact NH1-CG2 3.3Å; R90-T94 PolarHBondContact NH1-OG1 3.3Å; R90-T94 PolarHBondContact O-N 3.26Å; R90-T94 PolarHBondContact O-OG1 3.47Å; R90-R98 PolarHBondContact NH2-O 2.81Å
91Y94.8Very high91.1Very high51 Ų5172.1 Ų72.120%0.239%0.393CS..Hα-helixtrans-73.3-50.1177.3178.2-102.5000110.8V49 H53 I87 L88 G89 E93 T94 G95 I97V49-Y91 HydrophobicContact CG1-CD1 3.91Å; V49-Y91 HydrophobicContact CG1-CD2 4.17Å; V49-Y91 HydrophobicContact CG1-CE1 3.6Å; V49-Y91 HydrophobicContact CG1-CE2 3.88Å; V49-Y91 HydrophobicContact CG1-CG 4.19Å; V49-Y91 HydrophobicContact CG2-CD1 4.08Å; V49-Y91 HydrophobicContact CG2-CD2 3.95Å; V49-Y91 HydrophobicContact CG2-CE2 4.47Å; V49-Y91 HydrophobicContact CG2-CG 3.75Å; H53-Y91 AromaticContact CE1-CE1 3.64Å; H53-Y91 AromaticContact CE1-CZ 3.8Å; H53-Y91 PolarHBondContact CE1-OH 3.42Å; H53-Y91 AromaticContact NE2-CE1 3.53Å; I87-Y91 WeakPolarHBondContact O-CB 3.23Å; I87-Y91 PolarHBondContact O-N 3.1Å; L88-Y91 WeakPolarHBondContact O-CB 3.36Å; L88-Y91 PolarHBondContact O-N 3.18Å; L88-Y91 VanDerWaalsContact O-N 3.08Å; G89-Y91 PolarHBondContact O-N 3.3Å; Y91-E93 VanDerWaalsContact C-N 3.28Å; Y91-E93 PolarHBondContact O-N 3.45Å; Y91-T94 PolarHBondContact O-N 3.14Å; Y91-G95 WeakPolarHBondContact CE2-O 3.42Å; Y91-G95 VanDerWaalsContact O-CA 3.27Å; Y91-G95 WeakPolarHBondContact O-CA 3.49Å; Y91-G95 PolarHBondContact O-N 3.38Å; Y91-I97 HydrophobicContact CD2-CG2 3.82Å; Y91-I97 HydrophobicContact CE2-CG2 3.87Å
92Y94Very high90.6Very high147 Ų14774.6 Ų74.658%0.57641%0.405SS*.Hα-helixtrans-64.7-30.8176.9-58.1-47000112.9L88 G89L88-Y92 HydrophobicContact CB-CD2 4.49Å; L88-Y92 HydrophobicContact CB-CE2 4.02Å; L88-Y92 WeakPolarHBondContact O-CD2 3.39Å; L88-Y92 PolarHBondContact O-N 3.02Å; G89-Y92 PolarHBondContact O-N 3.45Å
93E93.6Very high89.9Confident136 Ų13675.2 Ų75.264%0.63641%0.412SS*.Hα-helixtrans-66.9-35.5172.6-77.7168-166.600114.4G89 Y91G89-E93 WeakPolarHBondContact O-CB 3.46Å; G89-E93 VanDerWaalsContact O-CG 3.24Å; G89-E93 WeakPolarHBondContact O-CG 3.22Å; G89-E93 PolarHBondContact O-N 2.94Å; Y91-E93 VanDerWaalsContact C-N 3.28Å; Y91-E93 PolarHBondContact O-N 3.45Å
94T91.6Very high89.2Confident68 Ų6877.9 Ų77.942%0.41744%0.444SS..Hα-helixtrans-139.43.3-16487.70000116R90 Y91 S96R90-T94 VanDerWaalsContact NH1-CG2 3.3Å; R90-T94 PolarHBondContact NH1-OG1 3.3Å; R90-T94 PolarHBondContact O-N 3.26Å; R90-T94 PolarHBondContact O-OG1 3.47Å; Y91-T94 PolarHBondContact O-N 3.14Å; T94-S96 PolarHBondContact O-N 3.11Å; T94-S96 WeakPolarHBondContact OG1-CB 3.45Å; T94-S96 PolarHBondContact OG1-N 3.19Å
95G91.9Very high88.5Confident55 Ų5583.3 Ų83.357%0.56748%0.482SS*.SBendtrans58.83.8-17200000115.7Y91Y91-G95 WeakPolarHBondContact CE2-O 3.42Å; Y91-G95 VanDerWaalsContact O-CA 3.27Å; Y91-G95 WeakPolarHBondContact O-CA 3.49Å; Y91-G95 PolarHBondContact O-N 3.38Å
96S91.2Very high87.7Confident46 Ų4689.9 Ų89.932%0.32250%0.504SS..  trans-109.6109.3-163.7-168.30000111.9T94 R98T94-S96 PolarHBondContact O-N 3.11Å; T94-S96 WeakPolarHBondContact OG1-CB 3.45Å; T94-S96 PolarHBondContact OG1-N 3.19Å; S96-R98 PolarHBondContact O-N 2.87Å; S96-R98 PolarHBondContact OG-N 3.47Å
97I90.6Very high86.7Confident47 Ų4786.7 Ų86.724%0.24150%0.499CS..  trans-65.6-9.7171.571.2176.5000112.9R45 Q46 V49 Y91R45-I97 PolarHBondContact NH1-O 3.41Å; R45-I97 PolarHBondContact NH2-O 3.3Å; Q46-I97 HydrophobicContact CB-CD1 4.48Å; Q46-I97 VanDerWaalsContact OE1-CD1 3.3Å; V49-I97 HydrophobicContact CG2-CG2 4.22Å; Y91-I97 HydrophobicContact CD2-CG2 3.82Å; Y91-I97 HydrophobicContact CE2-CG2 3.87Å
98R90.2Very high86.1Confident174 Ų17497.1 Ų97.166%0.65754%0.538SS*.SBendtrans-80151.2-174.1-65.2-177.872.8-155.24.4112.5R90 S96R90-R98 PolarHBondContact NH2-O 2.81Å; S96-R98 PolarHBondContact O-N 2.87Å; S96-R98 PolarHBondContact OG-N 3.47Å
99P89.1Confident85.5Confident51 Ų5199.4 Ų99.433%0.33155%0.552SS.*PPolyproline II helixtrans-73.3153.2177.531.1-30.5000109.9P39 R45P39-P99 HydrophobicContact CB-CB 3.72Å; P39-P99 HydrophobicContact CB-CG 4.14Å; P39-P99 HydrophobicContact CG-CB 4.13Å; P39-P99 HydrophobicContact CG-CG 4.08Å; R45-P99 VanDerWaalsContact NH1-CD 3.28Å
100R86.5Confident85.3Confident173 Ų17399.2 Ų99.265%0.65355%0.547SS*.PPolyproline II helixtrans-66.9145.5167.6-71.7-175.2-179.4-96.83.6108.3I102R100-I102 WeakPolarHBondContact O-CG1 3.46Å; R100-I102 PolarHBondContact O-N 3.29Å
101A83.5Confident85.2Confident106 Ų10699.6 Ų99.688%0.87656%0.555SS**PPolyproline II helixtrans-56.6123.2176.500000110.4
102I78.6Confident85.1Confident123 Ų123102.6 Ų102.663%0.63158%0.58SS**PPolyproline II helixtrans-98126.3-178.5-53.1-174.9000108.7R100R100-I102 WeakPolarHBondContact O-CG1 3.46Å; R100-I102 PolarHBondContact O-N 3.29Å
103G74.2Confident85Confident67 Ų67101.7 Ų101.769%0.69158%0.581SS**  trans84.3-163-17900000114.1
104G73.6Confident85.1Confident86 Ų8695.5 Ų95.589%0.88755%0.553SS**  trans79.3172.1-164.900000112.7
105S76.4Confident85.3Confident114 Ų11494 Ų9480%0.79754%0.544SS*.  trans-133.5144.4178.157.70000111.1
106K76.6Confident85.5Confident191 Ų19194.1 Ų94.183%0.8354%0.539SS*.  trans-65140.1174.8-66.8-174179.5-178.80109.6R108K106-R108 PolarHBondContact O-N 2.99Å
107P72.9Confident85.8Confident91 Ų9194 Ų9459%0.59153%0.533SS*.  trans-59.7110.2178.3-24.934.8000112.3A110P107-A110 HydrophobicContact CB-CB 4.39Å; P107-A110 WeakPolarHBondContact CB-O 3.44Å
108R77.8Confident86.1Confident233 Ų23391.9 Ų91.988%0.87952%0.522SS*.SBendtrans-76-32.4-177.5-66.8-174.766.3-167.1-0.9114.6K106K106-R108 PolarHBondContact O-N 2.99Å
109V82.8Confident86.4Confident53 Ų5384.7 Ų84.732%0.32150%0.5SS..SBendtrans-132.91.7-172.7-60.70000113.2N147 P149V109-N147 VanDerWaalsContact CB-O 3.3Å; V109-N147 WeakPolarHBondContact CB-O 3.48Å; V109-N147 WeakPolarHBondContact CG1-O 3.44Å; V109-P149 HydrophobicContact CG2-CB 4.31Å; V109-P149 WeakPolarHBondContact O-CD 3.25Å
110A87.9Confident86.7Confident27 Ų2785.3 Ų85.322%0.22350%0.498CS..  trans-122.261.2174.400000107.7P107 V115 V157P107-A110 HydrophobicContact CB-CB 4.39Å; P107-A110 WeakPolarHBondContact CB-O 3.44Å; A110-V115 HydrophobicContact CB-CG2 4.22Å; A110-V157 HydrophobicContact CB-CG2 4.22Å
111T91.5Very high87.2Confident52 Ų5277.1 Ų77.132%0.31947%0.467SS..  trans-64.8157.8175.361.30000109.9E113 V114 V115T111-E113 PolarHBondContact O-N 3.39Å; T111-V114 PolarHBondContact O-N 3.19Å; T111-V114 VanDerWaalsContact O-N 3.17Å; T111-V114 VanDerWaalsContact OG1-CG2 3.27Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.46Å; T111-V114 PolarHBondContact OG1-N 3.25Å; T111-V115 WeakPolarHBondContact O-CG2 3.35Å; T111-V115 PolarHBondContact O-N 3.27Å
112P92Very high87.8Confident114 Ų11475.4 Ų75.474%0.7444%0.44SS*.Hα-helixtrans-55.2-38.3-179.6-27.536.2000113.4V115 A116P112-V115 PolarHBondContact O-N 3.16Å; P112-A116 WeakPolarHBondContact O-CB 3.42Å; P112-A116 PolarHBondContact O-N 3.05Å
113E93.1Very high88.6Confident128 Ų12878.4 Ų78.460%0.59844%0.443SS*.Hα-helixtrans-63.3-50175.5-179.3179.9-167.200112.8T111 V115 A116 K117T111-E113 PolarHBondContact O-N 3.39Å; E113-V115 VanDerWaalsContact C-N 3.28Å; E113-V115 PolarHBondContact O-N 3.08Å; E113-A116 WeakPolarHBondContact O-CB 3.49Å; E113-A116 PolarHBondContact O-N 3.5Å; E113-A116 VanDerWaalsContact O-N 3.13Å; E113-K117 PolarHBondContact O-N 3.12Å
114V95.4Very high89.6Confident6 Ų679.5 Ų79.54%0.03643%0.431CS..Hα-helixtrans-61.5-39.2176.9171.10000110.6T111 K117 I118 L137 I142 P149T111-V114 PolarHBondContact O-N 3.19Å; T111-V114 VanDerWaalsContact O-N 3.17Å; T111-V114 VanDerWaalsContact OG1-CG2 3.27Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.46Å; T111-V114 PolarHBondContact OG1-N 3.25Å; V114-K117 PolarHBondContact O-N 2.94Å; V114-I118 HydrophobicContact CG1-CD1 3.85Å; V114-I118 HydrophobicContact CG1-CG1 4.48Å; V114-I118 WeakPolarHBondContact O-CB 3.35Å; V114-I118 WeakPolarHBondContact O-CD1 3.45Å; V114-I118 WeakPolarHBondContact O-CG1 3.35Å; V114-I118 PolarHBondContact O-N 3.28Å; V114-L137 HydrophobicContact CG1-CD1 4.11Å; V114-L137 HydrophobicContact CG1-CD2 4.43Å; V114-I142 HydrophobicContact CG2-CG2 4.11Å; V114-P149 HydrophobicContact CG1-CG 3.84Å
115V95.9Very high90.5Very high37 Ų3778 Ų7822%0.22441%0.406CS..Hα-helixtrans-64-42.5174.21710000111.5A110 T111 P112 E113 I118 A119 V157 L161A110-V115 HydrophobicContact CB-CG2 4.22Å; T111-V115 WeakPolarHBondContact O-CG2 3.35Å; T111-V115 PolarHBondContact O-N 3.27Å; P112-V115 PolarHBondContact O-N 3.16Å; E113-V115 VanDerWaalsContact C-N 3.28Å; E113-V115 PolarHBondContact O-N 3.08Å; V115-I118 PolarHBondContact O-N 2.93Å; V115-A119 WeakPolarHBondContact O-CB 3.2Å; V115-A119 PolarHBondContact O-N 3.46Å; V115-V157 HydrophobicContact CB-CG1 4.29Å; V115-V157 HydrophobicContact CG1-CG1 3.92Å; V115-V157 HydrophobicContact CG2-CG1 3.97Å; V115-V157 HydrophobicContact CG2-CG2 4.17Å; V115-L161 HydrophobicContact CG1-CD1 4.36Å; V115-L161 HydrophobicContact CG1-CD2 4.1Å; V115-L161 HydrophobicContact CG1-CG 4.5Å
116A95.9Very high91.3Very high58 Ų5877.1 Ų77.148%0.47940%0.398SS..Hα-helixtrans-63.8-42.2176.500000112.3P112 E113 A119 Q120P112-A116 WeakPolarHBondContact O-CB 3.42Å; P112-A116 PolarHBondContact O-N 3.05Å; E113-A116 WeakPolarHBondContact O-CB 3.49Å; E113-A116 PolarHBondContact O-N 3.5Å; E113-A116 VanDerWaalsContact O-N 3.13Å; A116-A119 WeakPolarHBondContact O-CB 3.42Å; A116-A119 PolarHBondContact O-N 3.02Å; A116-Q120 WeakPolarHBondContact O-CB 3.47Å; A116-Q120 PolarHBondContact O-N 3.49Å
117K96.9Very high92.1Very high44 Ų4472.8 Ų72.819%0.19139%0.391CS..Hα-helixtrans-65.9-40.8174.2-82.1-80.7-169.31690112.7E113 V114 A119 Q120 Y121 L137 E140 I142E113-K117 PolarHBondContact O-N 3.12Å; V114-K117 PolarHBondContact O-N 2.94Å; K117-A119 VanDerWaalsContact C-N 3.3Å; K117-A119 PolarHBondContact O-N 3.21Å; K117-Q120 PolarHBondContact O-N 3.31Å; K117-Y121 HydrophobicContact CD-CE1 3.8Å; K117-Y121 VanDerWaalsContact O-CG 3.31Å; K117-Y121 PolarHBondContact O-N 3.04Å; K117-L137 HydrophobicContact CB-CD2 3.88Å; K117-E140 IonicContact NZ-OE2 2.85Å; K117-E140 PolarHBondContact NZ-OE2 3.11Å; K117-I142 HydrophobicContact CB-CG2 4.3Å; K117-I142 HydrophobicContact CD-CD1 4.31Å; K117-I142 HydrophobicContact CD-CG1 4.17Å; K117-I142 HydrophobicContact CG-CD1 4.37Å; K117-I142 HydrophobicContact CG-CG1 4.14Å; K117-I142 HydrophobicContact CG-CG2 4.02Å
118I96.6Very high93.1Very high1 Ų169.3 Ų69.31%0.00537%0.367CS..Hα-helixtrans-58.1-43.5171.2-71.1165000110.8V114 V115 K122 I133 L137 P149 I154 V157 L158V114-I118 HydrophobicContact CG1-CD1 3.85Å; V114-I118 HydrophobicContact CG1-CG1 4.48Å; V114-I118 WeakPolarHBondContact O-CB 3.35Å; V114-I118 WeakPolarHBondContact O-CD1 3.45Å; V114-I118 WeakPolarHBondContact O-CG1 3.35Å; V114-I118 PolarHBondContact O-N 3.28Å; V115-I118 PolarHBondContact O-N 2.93Å; I118-K122 WeakPolarHBondContact O-CB 3.04Å; I118-K122 PolarHBondContact O-N 3.34Å; I118-I133 HydrophobicContact CB-CG2 4.44Å; I118-I133 HydrophobicContact CG1-CG2 3.82Å; I118-I133 HydrophobicContact CG2-CG2 4.46Å; I118-L137 HydrophobicContact CD1-CD1 4.23Å; I118-L137 HydrophobicContact CG1-CD1 3.93Å; I118-P149 HydrophobicContact CD1-CG 4.42Å; I118-I154 HydrophobicContact CD1-CG1 4.13Å; I118-I154 HydrophobicContact CD1-CG2 4.43Å; I118-I154 HydrophobicContact CG2-CG2 4.26Å; I118-V157 HydrophobicContact CB-CG1 4.29Å; I118-V157 HydrophobicContact CD1-CB 4.41Å; I118-V157 HydrophobicContact CD1-CG1 4.13Å; I118-V157 HydrophobicContact CG2-CB 4.5Å; I118-V157 HydrophobicContact CG2-CG1 3.84Å; I118-L158 HydrophobicContact CG2-CD2 3.56Å; I118-L158 HydrophobicContact CG2-CG 3.92Å
119A96.4Very high94Very high23 Ų2362 Ų6219%0.1934%0.342CS..Hα-helixtrans-66.3-40.2176.400000112.4V115 A116 K117 R123 L161V115-A119 WeakPolarHBondContact O-CB 3.2Å; V115-A119 PolarHBondContact O-N 3.46Å; A116-A119 WeakPolarHBondContact O-CB 3.42Å; A116-A119 PolarHBondContact O-N 3.02Å; K117-A119 VanDerWaalsContact C-N 3.3Å; K117-A119 PolarHBondContact O-N 3.21Å; A119-R123 WeakPolarHBondContact O-CB 3.41Å; A119-R123 PolarHBondContact O-N 2.92Å; A119-L161 HydrophobicContact CB-CD1 3.78Å; A119-L161 HydrophobicContact CB-CD2 4.5Å
120Q96.8Very high94.6Very high65 Ų6559.9 Ų59.930%0.30433%0.33SS..Hα-helixtrans-61.3-55.8176.5174.6177.2-3.900111.5A116 K117 K122 R123 E124A116-Q120 WeakPolarHBondContact O-CB 3.47Å; A116-Q120 PolarHBondContact O-N 3.49Å; K117-Q120 PolarHBondContact O-N 3.31Å; Q120-K122 PolarHBondContact O-N 2.89Å; Q120-R123 WeakPolarHBondContact O-CA 3.39Å; Q120-R123 WeakPolarHBondContact O-CB 3.43Å; Q120-R123 PolarHBondContact O-N 2.95Å; Q120-E124 HydrophobicContact CG-CG 4.38Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.33Å; Q120-E124 PolarHBondContact NE2-OE1 3.44Å; Q120-E124 WeakPolarHBondContact O-CG 3.43Å; Q120-E124 PolarHBondContact O-N 3.46Å
121Y96.9Very high95Very high0 Ų060.5 Ų60.50%033%0.327CS..Hα-helixtrans-60.1-33.9-177.7-57.2-17.6000112K117 C125 I133 R136 L137 E140K117-Y121 HydrophobicContact CD-CE1 3.8Å; K117-Y121 VanDerWaalsContact O-CG 3.31Å; K117-Y121 PolarHBondContact O-N 3.04Å; Y121-C125 PolarHBondContact O-N 2.88Å; Y121-I133 HydrophobicContact CD2-CG1 4.5Å; Y121-I133 HydrophobicContact CD2-CG2 4.18Å; Y121-R136 HydrophobicContact CD2-CB 4.11Å; Y121-R136 HydrophobicContact CD2-CG 4.1Å; Y121-R136 HydrophobicContact CE1-CG 4.22Å; Y121-R136 HydrophobicContact CE2-CB 3.75Å; Y121-R136 HydrophobicContact CE2-CG 3.63Å; Y121-R136 PolarHBondContact OH-O 2.89Å; Y121-L137 HydrophobicContact CE2-CD2 4Å; Y121-L137 HydrophobicContact CE2-CG 4.02Å; Y121-E140 WeakPolarHBondContact CE1-OE1 3.39Å; Y121-E140 PolarHBondContact OH-OE1 2.62Å; Y121-E140 PolarHBondContact OH-OE2 3.28Å; Y121-E140 VanDerWaalsContact OH-OE2 3.06Å
122K95.3Very high95.2Very high70 Ų7060.1 Ų60.130%0.30432%0.321SS..Hα-helixtrans-75.8-22.2176.4-163.957.4162.9173.70113.7I118 Q120 P126 I128 L158I118-K122 WeakPolarHBondContact O-CB 3.04Å; I118-K122 PolarHBondContact O-N 3.34Å; Q120-K122 PolarHBondContact O-N 2.89Å; K122-P126 WeakPolarHBondContact CE-O 3.47Å; K122-P126 PolarHBondContact NZ-O 3.38Å; K122-P126 WeakPolarHBondContact O-CA 3.17Å; K122-I128 HydrophobicContact CD-CG2 3.74Å; K122-I128 PolarHBondContact NZ-O 3.42Å; K122-L158 HydrophobicContact CB-CD2 3.89Å; K122-L158 HydrophobicContact CG-CD2 3.87Å
123R95.6Very high95.4Very high186 Ų18654.7 Ų54.770%0.70229%0.286SS*.Hα-helixtrans-78.1-43.7172-168.3-168.7-56.41230.5111.2A119 Q120A119-R123 WeakPolarHBondContact O-CB 3.41Å; A119-R123 PolarHBondContact O-N 2.92Å; Q120-R123 WeakPolarHBondContact O-CA 3.39Å; Q120-R123 WeakPolarHBondContact O-CB 3.43Å; Q120-R123 PolarHBondContact O-N 2.95Å
124E95.6Very high95.6Very high91 Ų9152.9 Ų52.943%0.42527%0.274SS..Hα-helixtrans-63.4-46.5175.4-69.8169.9-172.700111.7Q120 R136Q120-E124 HydrophobicContact CG-CG 4.38Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.33Å; Q120-E124 PolarHBondContact NE2-OE1 3.44Å; Q120-E124 WeakPolarHBondContact O-CG 3.43Å; Q120-E124 PolarHBondContact O-N 3.46Å; E124-R136 IonicContact OE2-CZ 2.62Å; E124-R136 VanDerWaalsContact OE2-CZ 3.24Å; E124-R136 IonicContact OE2-NH1 3.57Å; E124-R136 PolarHBondContact OE2-NH1 3.13Å; E124-R136 IonicContact OE2-NH2 2.9Å; E124-R136 PolarHBondContact OE2-NH2 3.08Å
125C92.6Very high95.7Very high54 Ų5455.7 Ų55.737%0.36529%0.289SS..  trans-12987.4-179-63.60000110.6Y121 S127 I128Y121-C125 PolarHBondContact O-N 2.88Å; C125-S127 PolarHBondContact O-N 2.92Å; C125-I128 HydrophobicContact CB-CB 3.96Å; C125-I128 HydrophobicContact CB-CG2 4.4Å; C125-I128 WeakPolarHBondContact O-CB 3.28Å; C125-I128 WeakPolarHBondContact O-CG2 3.45Å; C125-I128 PolarHBondContact O-N 3.39Å
126P93.8Very high95.7Very high96 Ų9657 Ų5762%0.62329%0.29SS*.THydrogen-bonded Turntrans-56-23178.5-28.936.9000114.6K122K122-P126 WeakPolarHBondContact CE-O 3.47Å; K122-P126 PolarHBondContact NZ-O 3.38Å; K122-P126 WeakPolarHBondContact O-CA 3.17Å
127S93.4Very high95.7Very high99 Ų9954.3 Ų54.369%0.69227%0.267SS*.THydrogen-bonded Turntrans-77.4-17.6174.551.50000115C125 F129C125-S127 PolarHBondContact O-N 2.92Å; S127-F129 PolarHBondContact O-N 3.36Å
128I93.8Very high95.7Very high18 Ų1854.5 Ų54.59%0.09227%0.27CS..  trans-61135.5-170.3-161.2173.5000112.4K122 C125 E132 I133K122-I128 HydrophobicContact CD-CG2 3.74Å; K122-I128 PolarHBondContact NZ-O 3.42Å; C125-I128 HydrophobicContact CB-CB 3.96Å; C125-I128 HydrophobicContact CB-CG2 4.4Å; C125-I128 WeakPolarHBondContact O-CB 3.28Å; C125-I128 WeakPolarHBondContact O-CG2 3.45Å; C125-I128 PolarHBondContact O-N 3.39Å; I128-E132 HydrophobicContact CD1-CB 4.04Å; I128-E132 HydrophobicContact CG1-CB 3.56Å; I128-I133 HydrophobicContact CD1-CG1 4Å; I128-I133 HydrophobicContact CG1-CG1 4.17Å; I128-I133 HydrophobicContact CG2-CD1 3.87Å; I128-I133 HydrophobicContact CG2-CG1 3.79Å
129F96.2Very high95.7Very high81 Ų8159 Ų5936%0.35530%0.301SS..  trans-83.5153.8177.7-67.7-79.5000111.8S127 W131 E132 I133S127-F129 PolarHBondContact O-N 3.36Å; F129-W131 VanDerWaalsContact CB-CD1 3.44Å; F129-W131 HydrophobicContact CB-CG 4.36Å; F129-W131 AromaticContact CG-NE1 3.79Å; F129-W131 PolarHBondContact O-N 3.04Å; F129-W131 VanDerWaalsContact O-N 3.08Å; F129-E132 HydrophobicContact CB-CG 4.49Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.47Å; F129-E132 PolarHBondContact N-OE2 3.5Å; F129-E132 PolarHBondContact O-N 2.97Å; F129-I133 PolarHBondContact O-N 2.93Å
130A95.6Very high95.6Very high8 Ų861.3 Ų61.37%0.06631%0.308CS..Hα-helixtrans-63.7-15.1179.900000114.8R134 V151 I154 N155A130-R134 PolarHBondContact O-N 3.12Å; A130-V151 HydrophobicContact CB-CG1 3.89Å; A130-I154 HydrophobicContact CB-CB 4.25Å; A130-I154 HydrophobicContact CB-CG2 3.78Å; A130-I154 WeakPolarHBondContact O-CD1 3.39Å; A130-N155 WeakPolarHBondContact CB-ND2 3.34Å
131W95.1Very high95.4Very high40 Ų4061.1 Ų61.115%0.15232%0.324CS..Hα-helixtrans-83.4-38.6170.569.7-89.1000111.7F129 I133 R134 D135 V151 R298F129-W131 VanDerWaalsContact CB-CD1 3.44Å; F129-W131 HydrophobicContact CB-CG 4.36Å; F129-W131 AromaticContact CG-NE1 3.79Å; F129-W131 PolarHBondContact O-N 3.04Å; F129-W131 VanDerWaalsContact O-N 3.08Å; W131-I133 VanDerWaalsContact C-N 3.3Å; W131-I133 PolarHBondContact O-N 3.4Å; W131-R134 WeakPolarHBondContact O-CA 3.49Å; W131-R134 VanDerWaalsContact O-CB 3.28Å; W131-R134 WeakPolarHBondContact O-CB 3.45Å; W131-R134 PolarHBondContact O-N 3.32Å; W131-D135 WeakPolarHBondContact CZ3-OD2 3.49Å; W131-D135 VanDerWaalsContact O-CG 3.31Å; W131-D135 PolarHBondContact O-N 2.94Å; W131-V151 HydrophobicContact CB-CG2 4.22Å; W131-R298 HydrophobicContact CD2-CG 4.41Å; W131-R298 HydrophobicContact CE3-CG 4.34Å; W131-R298 HydrophobicContact CH2-CG 3.59Å; W131-R298 HydrophobicContact CZ2-CG 3.66Å; W131-R298 HydrophobicContact CZ3-CG 3.95Å
132E96.2Very high95.3Very high44 Ų4462.7 Ų62.721%0.20633%0.332CS..Hα-helixtrans-64.9-35.8172.8-67.8158.1169.300111.1I128 F129 R134 D135 R136I128-E132 HydrophobicContact CD1-CB 4.04Å; I128-E132 HydrophobicContact CG1-CB 3.56Å; F129-E132 HydrophobicContact CB-CG 4.49Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.47Å; F129-E132 PolarHBondContact N-OE2 3.5Å; F129-E132 PolarHBondContact O-N 2.97Å; E132-R134 VanDerWaalsContact C-N 3.35Å; E132-D135 PolarHBondContact O-N 2.98Å; E132-R136 VanDerWaalsContact O-CB 3.3Å; E132-R136 WeakPolarHBondContact O-CB 3.48Å; E132-R136 PolarHBondContact O-N 3.02Å
133I96.8Very high95.3Very high0 Ų059.7 Ų59.70%032%0.319CS..Hα-helixtrans-60.3-42.7168.5-69.5174.7000111.3I118 Y121 I128 F129 W131 R136 L137 I154 L158I118-I133 HydrophobicContact CB-CG2 4.44Å; I118-I133 HydrophobicContact CG1-CG2 3.82Å; I118-I133 HydrophobicContact CG2-CG2 4.46Å; Y121-I133 HydrophobicContact CD2-CG1 4.5Å; Y121-I133 HydrophobicContact CD2-CG2 4.18Å; I128-I133 HydrophobicContact CD1-CG1 4Å; I128-I133 HydrophobicContact CG1-CG1 4.17Å; I128-I133 HydrophobicContact CG2-CD1 3.87Å; I128-I133 HydrophobicContact CG2-CG1 3.79Å; F129-I133 PolarHBondContact O-N 2.93Å; W131-I133 VanDerWaalsContact C-N 3.3Å; W131-I133 PolarHBondContact O-N 3.4Å; I133-R136 PolarHBondContact O-N 3.44Å; I133-L137 HydrophobicContact CG2-CD1 4.2Å; I133-L137 HydrophobicContact CG2-CG 4.49Å; I133-L137 WeakPolarHBondContact O-CG 3.12Å; I133-L137 PolarHBondContact O-N 3.3Å; I133-I154 HydrophobicContact CB-CG2 4.23Å; I133-I154 HydrophobicContact CD1-CG2 4.31Å; I133-I154 HydrophobicContact CG2-CD1 4.31Å; I133-I154 HydrophobicContact CG2-CG2 3.77Å; I133-L158 HydrophobicContact CD1-CD1 3.95Å; I133-L158 HydrophobicContact CD1-CD2 4.41Å
134R97.1Very high95.2Very high90 Ų9054.1 Ų54.134%0.3431%0.306SS..Hα-helixtrans-62.9-48.4178.8-170.4-165.1174.4-133.9-1.5111A130 W131 E132 R136 L137 L138 I148 I154A130-R134 PolarHBondContact O-N 3.12Å; W131-R134 WeakPolarHBondContact O-CA 3.49Å; W131-R134 VanDerWaalsContact O-CB 3.28Å; W131-R134 WeakPolarHBondContact O-CB 3.45Å; W131-R134 PolarHBondContact O-N 3.32Å; E132-R134 VanDerWaalsContact C-N 3.35Å; R134-R136 VanDerWaalsContact C-N 3.29Å; R134-R136 PolarHBondContact O-N 3.27Å; R134-L137 PolarHBondContact O-N 2.99Å; R134-L138 PolarHBondContact O-N 3.18Å; R134-I148 HydrophobicContact CG-CD1 3.66Å; R134-I148 HydrophobicContact CG-CG1 3.47Å; R134-I148 VanDerWaalsContact CG-CG1 3.47Å; R134-I148 WeakPolarHBondContact O-CD1 3.36Å; R134-I154 HydrophobicContact CB-CD1 3.66Å; R134-I154 HydrophobicContact CG-CD1 4.14Å
135D96.4Very high95Very high65 Ų6556 Ų5635%0.34832%0.32SS..Hα-helixtrans-61.7-40.3179.3-61.8-5.1000110.5W131 E132 L138 S139W131-D135 WeakPolarHBondContact CZ3-OD2 3.49Å; W131-D135 VanDerWaalsContact O-CG 3.31Å; W131-D135 PolarHBondContact O-N 2.94Å; E132-D135 PolarHBondContact O-N 2.98Å; D135-L138 PolarHBondContact O-N 3.03Å; D135-S139 PolarHBondContact O-N 2.61Å
136R96.9Very high94.9Very high65 Ų6560.5 Ų60.525%0.24534%0.34CS..Hα-helixtrans-71.6-30177.8-166.6174.7171.1-162.7-15.5114Y121 E124 E132 I133 R134 L138 S139 E140Y121-R136 HydrophobicContact CD2-CB 4.11Å; Y121-R136 HydrophobicContact CD2-CG 4.1Å; Y121-R136 HydrophobicContact CE1-CG 4.22Å; Y121-R136 HydrophobicContact CE2-CB 3.75Å; Y121-R136 HydrophobicContact CE2-CG 3.63Å; Y121-R136 PolarHBondContact OH-O 2.89Å; E124-R136 IonicContact OE2-CZ 2.62Å; E124-R136 VanDerWaalsContact OE2-CZ 3.24Å; E124-R136 IonicContact OE2-NH1 3.57Å; E124-R136 PolarHBondContact OE2-NH1 3.13Å; E124-R136 IonicContact OE2-NH2 2.9Å; E124-R136 PolarHBondContact OE2-NH2 3.08Å; E132-R136 VanDerWaalsContact O-CB 3.3Å; E132-R136 WeakPolarHBondContact O-CB 3.48Å; E132-R136 PolarHBondContact O-N 3.02Å; I133-R136 PolarHBondContact O-N 3.44Å; R134-R136 VanDerWaalsContact C-N 3.29Å; R134-R136 PolarHBondContact O-N 3.27Å; R136-L138 VanDerWaalsContact C-N 3.34Å; R136-S139 WeakPolarHBondContact CA-OG 3.34Å; R136-S139 PolarHBondContact O-OG 2.91Å; R136-E140 HydrophobicContact CG-CG 4.34Å; R136-E140 IonicContact CZ-OE1 3.74Å; R136-E140 VanDerWaalsContact CZ-OE1 3.24Å; R136-E140 IonicContact NE-OE1 3.11Å; R136-E140 PolarHBondContact NE-OE1 2.85Å; R136-E140 IonicContact NH2-OE1 3.35Å; R136-E140 PolarHBondContact NH2-OE1 3.35Å; R136-E140 WeakPolarHBondContact O-CB 3.36Å; R136-E140 PolarHBondContact O-N 3.29Å
137L96.7Very high94.8Very high0 Ų059 Ų590%033%0.326CS..Hα-helixtrans-66.5-35.5171-77170.8000112V114 K117 I118 Y121 I133 R134 I142 C143 I148 P149 I154V114-L137 HydrophobicContact CG1-CD1 4.11Å; V114-L137 HydrophobicContact CG1-CD2 4.43Å; K117-L137 HydrophobicContact CB-CD2 3.88Å; I118-L137 HydrophobicContact CD1-CD1 4.23Å; I118-L137 HydrophobicContact CG1-CD1 3.93Å; Y121-L137 HydrophobicContact CE2-CD2 4Å; Y121-L137 HydrophobicContact CE2-CG 4.02Å; I133-L137 HydrophobicContact CG2-CD1 4.2Å; I133-L137 HydrophobicContact CG2-CG 4.49Å; I133-L137 WeakPolarHBondContact O-CG 3.12Å; I133-L137 PolarHBondContact O-N 3.3Å; R134-L137 PolarHBondContact O-N 2.99Å; L137-I142 HydrophobicContact CD2-CB 3.95Å; L137-I142 HydrophobicContact CD2-CG1 4.49Å; L137-I142 HydrophobicContact CD2-CG2 3.85Å; L137-I142 PolarHBondContact O-N 3.26Å; L137-I142 VanDerWaalsContact O-N 3.12Å; L137-C143 HydrophobicContact CB-CB 4.3Å; L137-C143 PolarHBondContact O-N 2.94Å; L137-I148 HydrophobicContact CB-CD1 3.62Å; L137-I148 HydrophobicContact CD1-CD1 4.01Å; L137-I148 HydrophobicContact CG-CD1 4.5Å; L137-P149 HydrophobicContact CD1-CG 4.2Å; L137-I154 HydrophobicContact CD1-CD1 4.46Å
138L95.8Very high94.8Very high49 Ų4955.1 Ų55.126%0.25730%0.298SS..Hα-helixtrans-72.3-44.9173.2-69.7164.8000111.4R134 D135 R136 G141 I148R134-L138 PolarHBondContact O-N 3.18Å; D135-L138 PolarHBondContact O-N 3.03Å; R136-L138 VanDerWaalsContact C-N 3.34Å; L138-G141 PolarHBondContact O-N 3.44Å; L138-G141 VanDerWaalsContact O-N 3.16Å; L138-I148 HydrophobicContact CD1-CG1 4.32Å; L138-I148 HydrophobicContact CD2-CB 4.07Å; L138-I148 HydrophobicContact CD2-CD1 4.39Å; L138-I148 HydrophobicContact CD2-CG1 4.24Å; L138-I148 HydrophobicContact CD2-CG2 4.33Å; L138-I148 HydrophobicContact CG-CB 4.49Å; L138-I148 HydrophobicContact CG-CD1 4Å; L138-I148 HydrophobicContact CG-CG1 4.1Å
139S96.1Very high94.9Very high95 Ų9554.3 Ų54.366%0.66429%0.294SS*.Hα-helixtrans-71.2-30.7-176.470.50000114.2D135 R136 G141D135-S139 PolarHBondContact O-N 2.61Å; R136-S139 WeakPolarHBondContact CA-OG 3.34Å; R136-S139 PolarHBondContact O-OG 2.91Å; S139-G141 VanDerWaalsContact C-N 3.26Å
140E95.3Very high94.9Very high71 Ų7153.2 Ų53.233%0.33230%0.296SS..THydrogen-bonded Turntrans-84.66.8172.3-69.3-171.2-152.300112.9K117 Y121 R136 I142K117-E140 IonicContact NZ-OE2 2.85Å; K117-E140 PolarHBondContact NZ-OE2 3.11Å; Y121-E140 WeakPolarHBondContact CE1-OE1 3.39Å; Y121-E140 PolarHBondContact OH-OE1 2.62Å; Y121-E140 PolarHBondContact OH-OE2 3.28Å; Y121-E140 VanDerWaalsContact OH-OE2 3.06Å; R136-E140 HydrophobicContact CG-CG 4.34Å; R136-E140 IonicContact CZ-OE1 3.74Å; R136-E140 VanDerWaalsContact CZ-OE1 3.24Å; R136-E140 IonicContact NE-OE1 3.11Å; R136-E140 PolarHBondContact NE-OE1 2.85Å; R136-E140 IonicContact NH2-OE1 3.35Å; R136-E140 PolarHBondContact NH2-OE1 3.35Å; R136-E140 WeakPolarHBondContact O-CB 3.36Å; R136-E140 PolarHBondContact O-N 3.29Å; E140-I142 HydrophobicContact CB-CD1 4.36Å; E140-I142 HydrophobicContact CB-CG1 3.89Å; E140-I142 WeakPolarHBondContact O-CD1 3.42Å; E140-I142 PolarHBondContact O-N 2.91Å; E140-I142 VanDerWaalsContact O-N 3.1Å
141G93.1Very high94.9Very high61 Ų6155.5 Ų55.563%0.62931%0.309SS*.THydrogen-bonded Turntrans70.61.417700000115.9L138 S139 C143L138-G141 PolarHBondContact O-N 3.44Å; L138-G141 VanDerWaalsContact O-N 3.16Å; S139-G141 VanDerWaalsContact C-N 3.26Å; G141-C143 PolarHBondContact O-N 3.1Å
142I94.8Very high94.9Very high34 Ų3457.7 Ų57.717%0.17433%0.33CS..SBendtrans-65-25.3-179.5-46.5-55.6000111.6V114 K117 L137 E140V114-I142 HydrophobicContact CG2-CG2 4.11Å; K117-I142 HydrophobicContact CB-CG2 4.3Å; K117-I142 HydrophobicContact CD-CD1 4.31Å; K117-I142 HydrophobicContact CD-CG1 4.17Å; K117-I142 HydrophobicContact CG-CD1 4.37Å; K117-I142 HydrophobicContact CG-CG1 4.14Å; K117-I142 HydrophobicContact CG-CG2 4.02Å; L137-I142 HydrophobicContact CD2-CB 3.95Å; L137-I142 HydrophobicContact CD2-CG1 4.49Å; L137-I142 HydrophobicContact CD2-CG2 3.85Å; L137-I142 PolarHBondContact O-N 3.26Å; L137-I142 VanDerWaalsContact O-N 3.12Å; E140-I142 HydrophobicContact CB-CD1 4.36Å; E140-I142 HydrophobicContact CB-CG1 3.89Å; E140-I142 WeakPolarHBondContact O-CD1 3.42Å; E140-I142 PolarHBondContact O-N 2.91Å; E140-I142 VanDerWaalsContact O-N 3.1Å
143C94.4Very high94.8Very high6 Ų657.5 Ų57.54%0.04133%0.334CS..  trans-130.9145.7173.5-64.10000112L137 G141 N147 I148L137-C143 HydrophobicContact CB-CB 4.3Å; L137-C143 PolarHBondContact O-N 2.94Å; G141-C143 PolarHBondContact O-N 3.1Å; C143-N147 WeakPolarHBondContact CA-OD1 3.38Å; C143-N147 WeakPolarHBondContact CB-OD1 3.5Å; C143-I148 HydrophobicContact CB-CB 3.89Å; C143-I148 HydrophobicContact CB-CD1 3.63Å; C143-I148 HydrophobicContact CB-CG1 4.35Å
144T93.8Very high94.8Very high70 Ų7057.5 Ų57.543%0.42933%0.334SS..  trans-89.4171.6162.674.10000110D146 N147 I148T144-D146 PolarHBondContact O-N 2.84Å; T144-D146 PolarHBondContact OG1-N 2.8Å; T144-D146 PolarHBondContact OG1-OD2 2.8Å; T144-D146 VanDerWaalsContact OG1-OD2 3.1Å; T144-N147 PolarHBondContact N-OD1 3.42Å; T144-N147 PolarHBondContact O-N 3.16Å; T144-N147 PolarHBondContact O-OD1 3.43Å; T144-N147 PolarHBondContact OG1-N 3.15Å; T144-I148 WeakPolarHBondContact O-CB 3.48Å; T144-I148 WeakPolarHBondContact O-CG2 3.45Å; T144-I148 PolarHBondContact O-N 3.31Å
145N91.6Very high94.8Very high131 Ų13156.2 Ų56.270%0.70133%0.334SS*.THydrogen-bonded Turntrans-60.8-23.3175.3-75-64.8000113.6I148N145-I148 WeakPolarHBondContact O-CG2 3.38Å
146D89.6Confident94.7Very high147 Ų14761 Ų6179%0.78635%0.347SS*.THydrogen-bonded Turntrans-88.8-28.1-176.4-37.5-84.4000113T144T144-D146 PolarHBondContact O-N 2.84Å; T144-D146 PolarHBondContact OG1-N 2.8Å; T144-D146 PolarHBondContact OG1-OD2 2.8Å; T144-D146 VanDerWaalsContact OG1-OD2 3.1Å
147N92.4Very high94.7Very high64 Ų6458.7 Ų58.734%0.34234%0.34SS..THydrogen-bonded Turntrans-108-8.4-176.576.221000114.3V109 C143 T144 P149V109-N147 VanDerWaalsContact CB-O 3.3Å; V109-N147 WeakPolarHBondContact CB-O 3.48Å; V109-N147 WeakPolarHBondContact CG1-O 3.44Å; C143-N147 WeakPolarHBondContact CA-OD1 3.38Å; C143-N147 WeakPolarHBondContact CB-OD1 3.5Å; T144-N147 PolarHBondContact N-OD1 3.42Å; T144-N147 PolarHBondContact O-N 3.16Å; T144-N147 PolarHBondContact O-OD1 3.43Å; T144-N147 PolarHBondContact OG1-N 3.15Å; N147-P149 WeakPolarHBondContact O-CD 3.39Å
148I94.1Very high94.6Very high18 Ų1860.1 Ų60.19%0.09235%0.347CS..PPolyproline II helixtrans-58.3119.4179-177.368.8000112R134 L137 L138 C143 T144 N145R134-I148 HydrophobicContact CG-CD1 3.66Å; R134-I148 HydrophobicContact CG-CG1 3.47Å; R134-I148 VanDerWaalsContact CG-CG1 3.47Å; R134-I148 WeakPolarHBondContact O-CD1 3.36Å; L137-I148 HydrophobicContact CB-CD1 3.62Å; L137-I148 HydrophobicContact CD1-CD1 4.01Å; L137-I148 HydrophobicContact CG-CD1 4.5Å; L138-I148 HydrophobicContact CD1-CG1 4.32Å; L138-I148 HydrophobicContact CD2-CB 4.07Å; L138-I148 HydrophobicContact CD2-CD1 4.39Å; L138-I148 HydrophobicContact CD2-CG1 4.24Å; L138-I148 HydrophobicContact CD2-CG2 4.33Å; L138-I148 HydrophobicContact CG-CB 4.49Å; L138-I148 HydrophobicContact CG-CD1 4Å; L138-I148 HydrophobicContact CG-CG1 4.1Å; C143-I148 HydrophobicContact CB-CB 3.89Å; C143-I148 HydrophobicContact CB-CD1 3.63Å; C143-I148 HydrophobicContact CB-CG1 4.35Å; T144-I148 WeakPolarHBondContact O-CB 3.48Å; T144-I148 WeakPolarHBondContact O-CG2 3.45Å; T144-I148 PolarHBondContact O-N 3.31Å; N145-I148 WeakPolarHBondContact O-CG2 3.38Å
149P95.1Very high94.5Very high1 Ų164.5 Ų64.51%0.00636%0.361CS..PPolyproline II helixtrans-62.1141.1176.521.9-34.3000112.5V109 V114 I118 L137 N147 I154V109-P149 HydrophobicContact CG2-CB 4.31Å; V109-P149 WeakPolarHBondContact O-CD 3.25Å; V114-P149 HydrophobicContact CG1-CG 3.84Å; I118-P149 HydrophobicContact CD1-CG 4.42Å; L137-P149 HydrophobicContact CD1-CG 4.2Å; N147-P149 WeakPolarHBondContact O-CD 3.39Å; P149-I154 HydrophobicContact CB-CG1 4.04Å; P149-I154 HydrophobicContact CG-CD1 4.29Å; P149-I154 HydrophobicContact CG-CG1 3.87Å
150S95.3Very high94.4Very high58 Ų5864.7 Ų64.741%0.40635%0.354SS..PPolyproline II helixtrans-59.1155.217482.90000111.9S152 S153 I154S150-S152 PolarHBondContact O-N 2.66Å; S150-S152 VanDerWaalsContact O-N 3.13Å; S150-S152 PolarHBondContact OG-N 2.75Å; S150-S153 CarbonylContact O-C 3.6Å; S150-S153 WeakPolarHBondContact O-CA 3.33Å; S150-S153 VanDerWaalsContact O-CB 3.3Å; S150-S153 WeakPolarHBondContact O-CB 3.38Å; S150-S153 PolarHBondContact O-N 3.2Å; S150-S153 PolarHBondContact OG-N 3.36Å; S150-S153 PolarHBondContact OG-OG 3.16Å; S150-I154 PolarHBondContact O-N 3.3Å
151V95.7Very high94.2Very high56 Ų5663.4 Ų63.434%0.33935%0.35SS..Hα-helixtrans-57.5-30.6176.3-178.10000111.8A130 W131 N155A130-V151 HydrophobicContact CB-CG1 3.89Å; W131-V151 HydrophobicContact CB-CG2 4.22Å; V151-N155 WeakPolarHBondContact O-CB 3.15Å; V151-N155 PolarHBondContact O-N 2.84Å; V151-N155 VanDerWaalsContact O-N 3.1Å; V151-N155 PolarHBondContact O-ND2 3.22Å
152S95.4Very high94Very high86 Ų8663 Ų6360%0.60134%0.34SS*.Hα-helixtrans-70-42172.6-170.70000112.1S150 N155 R156S150-S152 PolarHBondContact O-N 2.66Å; S150-S152 VanDerWaalsContact O-N 3.13Å; S150-S152 PolarHBondContact OG-N 2.75Å; S152-N155 PolarHBondContact O-N 3.18Å; S152-R156 PolarHBondContact O-N 3.45Å
153S95Very high93.6Very high40 Ų4064.7 Ų64.728%0.2836%0.355SS..Hα-helixtrans-61.5-45.6175.2-53.20000111.7S150 N155 R156 V157S150-S153 CarbonylContact O-C 3.6Å; S150-S153 WeakPolarHBondContact O-CA 3.33Å; S150-S153 VanDerWaalsContact O-CB 3.3Å; S150-S153 WeakPolarHBondContact O-CB 3.38Å; S150-S153 PolarHBondContact O-N 3.2Å; S150-S153 PolarHBondContact OG-N 3.36Å; S150-S153 PolarHBondContact OG-OG 3.16Å; S153-N155 PolarHBondContact O-N 2.91Å; S153-R156 WeakPolarHBondContact O-CA 3.46Å; S153-R156 WeakPolarHBondContact O-CB 3.37Å; S153-R156 PolarHBondContact O-N 2.99Å; S153-V157 PolarHBondContact O-N 3.01Å
154I96.5Very high92.9Very high0 Ų069.2 Ų69.20%038%0.376CS..Hα-helixtrans-59.9-46175.4-64.6167.9000110.2I118 A130 I133 R134 L137 P149 S150 R156 V157 L158I118-I154 HydrophobicContact CD1-CG1 4.13Å; I118-I154 HydrophobicContact CD1-CG2 4.43Å; I118-I154 HydrophobicContact CG2-CG2 4.26Å; A130-I154 HydrophobicContact CB-CB 4.25Å; A130-I154 HydrophobicContact CB-CG2 3.78Å; A130-I154 WeakPolarHBondContact O-CD1 3.39Å; I133-I154 HydrophobicContact CB-CG2 4.23Å; I133-I154 HydrophobicContact CD1-CG2 4.31Å; I133-I154 HydrophobicContact CG2-CD1 4.31Å; I133-I154 HydrophobicContact CG2-CG2 3.77Å; R134-I154 HydrophobicContact CB-CD1 3.66Å; R134-I154 HydrophobicContact CG-CD1 4.14Å; L137-I154 HydrophobicContact CD1-CD1 4.46Å; P149-I154 HydrophobicContact CB-CG1 4.04Å; P149-I154 HydrophobicContact CG-CD1 4.29Å; P149-I154 HydrophobicContact CG-CG1 3.87Å; S150-I154 PolarHBondContact O-N 3.3Å; I154-R156 VanDerWaalsContact C-N 3.25Å; I154-R156 PolarHBondContact O-N 2.87Å; I154-V157 PolarHBondContact O-N 2.88Å; I154-L158 HydrophobicContact CG2-CD1 4.21Å; I154-L158 HydrophobicContact CG2-CG 4.46Å; I154-L158 WeakPolarHBondContact O-CG 3.39Å; I154-L158 PolarHBondContact O-N 3.33Å
155N96.9Very high92.1Very high63 Ų6374 Ų7434%0.33739%0.39SS..Hα-helixtrans-62.4-28.6174.2-84.2-71.5000113.6A130 V151 S152 S153 R159A130-N155 WeakPolarHBondContact CB-ND2 3.34Å; V151-N155 WeakPolarHBondContact O-CB 3.15Å; V151-N155 PolarHBondContact O-N 2.84Å; V151-N155 VanDerWaalsContact O-N 3.1Å; V151-N155 PolarHBondContact O-ND2 3.22Å; S152-N155 PolarHBondContact O-N 3.18Å; S153-N155 PolarHBondContact O-N 2.91Å; N155-R159 WeakPolarHBondContact O-CG 3.26Å; N155-R159 PolarHBondContact O-N 2.82Å; N155-R159 PolarHBondContact O-NH1 3.03Å
156R94.8Very high91.1Very high166 Ų16674.6 Ų74.663%0.62639%0.389SS*.Hα-helixtrans-72.2-45.5173-165.9172.178.7172.25.5111.2S152 S153 I154 L158 R159 N160S152-R156 PolarHBondContact O-N 3.45Å; S153-R156 WeakPolarHBondContact O-CA 3.46Å; S153-R156 WeakPolarHBondContact O-CB 3.37Å; S153-R156 PolarHBondContact O-N 2.99Å; I154-R156 VanDerWaalsContact C-N 3.25Å; I154-R156 PolarHBondContact O-N 2.87Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-L158 PolarHBondContact O-N 2.95Å; R156-R159 PolarHBondContact O-N 2.82Å; R156-N160 PolarHBondContact O-N 3.39Å; R156-N160 PolarHBondContact O-OD1 2.93Å; R156-N160 VanDerWaalsContact O-OD1 3.05Å
157V95.4Very high89.7Confident16 Ų1673.4 Ų73.410%0.09738%0.378CS..Hα-helixtrans-55.5-48.5173.6170.90000110.9A110 V115 I118 S153 I154 R159 N160 L161A110-V157 HydrophobicContact CB-CG2 4.22Å; V115-V157 HydrophobicContact CB-CG1 4.29Å; V115-V157 HydrophobicContact CG1-CG1 3.92Å; V115-V157 HydrophobicContact CG2-CG1 3.97Å; V115-V157 HydrophobicContact CG2-CG2 4.17Å; I118-V157 HydrophobicContact CB-CG1 4.29Å; I118-V157 HydrophobicContact CD1-CB 4.41Å; I118-V157 HydrophobicContact CD1-CG1 4.13Å; I118-V157 HydrophobicContact CG2-CB 4.5Å; I118-V157 HydrophobicContact CG2-CG1 3.84Å; S153-V157 PolarHBondContact O-N 3.01Å; I154-V157 PolarHBondContact O-N 2.88Å; V157-R159 VanDerWaalsContact C-N 3.31Å; V157-R159 PolarHBondContact O-N 3.41Å; V157-N160 PolarHBondContact O-N 3.04Å; V157-L161 HydrophobicContact CG1-CD1 3.72Å; V157-L161 HydrophobicContact CG1-CG 4.32Å; V157-L161 WeakPolarHBondContact O-CG 3.27Å; V157-L161 PolarHBondContact O-N 3.37Å
158L95.4Very high88.1Confident30 Ų3076.3 Ų76.316%0.15739%0.392CS..Hα-helixtrans-60.9-34.6178.6-71.3176.7000113.9I118 K122 I133 I154 R156 A162I118-L158 HydrophobicContact CG2-CD2 3.56Å; I118-L158 HydrophobicContact CG2-CG 3.92Å; K122-L158 HydrophobicContact CB-CD2 3.89Å; K122-L158 HydrophobicContact CG-CD2 3.87Å; I133-L158 HydrophobicContact CD1-CD1 3.95Å; I133-L158 HydrophobicContact CD1-CD2 4.41Å; I154-L158 HydrophobicContact CG2-CD1 4.21Å; I154-L158 HydrophobicContact CG2-CG 4.46Å; I154-L158 WeakPolarHBondContact O-CG 3.39Å; I154-L158 PolarHBondContact O-N 3.33Å; R156-L158 VanDerWaalsContact C-N 3.34Å; R156-L158 PolarHBondContact O-N 2.95Å; L158-A162 PolarHBondContact O-N 3.4Å
159R94.1Very high86.2Confident141 Ų14177.9 Ų77.953%0.53241%0.412SS..Hα-helixtrans-70.8-45.7173.9-75.4-173.4-61.1-91.53.7111.7N155 R156 V157 L161 A162 S163N155-R159 WeakPolarHBondContact O-CG 3.26Å; N155-R159 PolarHBondContact O-N 2.82Å; N155-R159 PolarHBondContact O-NH1 3.03Å; R156-R159 PolarHBondContact O-N 2.82Å; V157-R159 VanDerWaalsContact C-N 3.31Å; V157-R159 PolarHBondContact O-N 3.41Å; R159-L161 PolarHBondContact O-N 3.43Å; R159-A162 WeakPolarHBondContact O-CB 3.1Å; R159-A162 PolarHBondContact O-N 2.93Å; R159-A162 VanDerWaalsContact O-N 3.15Å; R159-S163 PolarHBondContact O-N 2.89Å; R159-S163 PolarHBondContact O-OG 2.97Å
160N93.2Very high84.3Confident100 Ų10079.8 Ų79.854%0.53543%0.428SS..Hα-helixtrans-58.5-47.8178.9-70.725000111.2R156 V157 A162 S163 E164R156-N160 PolarHBondContact O-N 3.39Å; R156-N160 PolarHBondContact O-OD1 2.93Å; R156-N160 VanDerWaalsContact O-OD1 3.05Å; V157-N160 PolarHBondContact O-N 3.04Å; N160-A162 VanDerWaalsContact C-N 3.27Å; N160-A162 PolarHBondContact O-N 3.17Å; N160-S163 PolarHBondContact O-N 3.1Å; N160-E164 WeakPolarHBondContact O-CB 3.33Å; N160-E164 PolarHBondContact O-N 3.21Å
161L91.6Very high82.4Confident44 Ų4481 Ų8123%0.2343%0.43CS..Hα-helixtrans-60.4-33.3176.8-70.3167.2000113.1V115 A119 V157 R159 K165V115-L161 HydrophobicContact CG1-CD1 4.36Å; V115-L161 HydrophobicContact CG1-CD2 4.1Å; V115-L161 HydrophobicContact CG1-CG 4.5Å; A119-L161 HydrophobicContact CB-CD1 3.78Å; A119-L161 HydrophobicContact CB-CD2 4.5Å; V157-L161 HydrophobicContact CG1-CD1 3.72Å; V157-L161 HydrophobicContact CG1-CG 4.32Å; V157-L161 WeakPolarHBondContact O-CG 3.27Å; V157-L161 PolarHBondContact O-N 3.37Å; R159-L161 PolarHBondContact O-N 3.43Å; L161-K165 WeakPolarHBondContact O-CB 3.38Å; L161-K165 PolarHBondContact O-N 3.2Å; L161-K165 VanDerWaalsContact O-N 3.1Å
162A89.3Confident80.4Confident52 Ų5280.2 Ų80.243%0.4343%0.433SS..Hα-helixtrans-70.5-42.4176.200000111.8L158 R159 N160 Q166L158-A162 PolarHBondContact O-N 3.4Å; R159-A162 WeakPolarHBondContact O-CB 3.1Å; R159-A162 PolarHBondContact O-N 2.93Å; R159-A162 VanDerWaalsContact O-N 3.15Å; N160-A162 VanDerWaalsContact C-N 3.27Å; N160-A162 PolarHBondContact O-N 3.17Å; A162-Q166 WeakPolarHBondContact O-CG 3.22Å; A162-Q166 PolarHBondContact O-N 3.22Å; A162-Q166 VanDerWaalsContact O-N 3.16Å
163S85.8Confident78.5Confident69 Ų6982.6 Ų82.648%0.48344%0.437SS..Hα-helixtrans-66.7-42.3175.1-62.10000112.3R159 N160 K165 Q166 Q167R159-S163 PolarHBondContact O-N 2.89Å; R159-S163 PolarHBondContact O-OG 2.97Å; N160-S163 PolarHBondContact O-N 3.1Å; S163-K165 VanDerWaalsContact C-N 3.33Å; S163-K165 PolarHBondContact O-N 3.25Å; S163-Q166 WeakPolarHBondContact O-CB 3.48Å; S163-Q166 PolarHBondContact O-N 2.8Å; S163-Q166 VanDerWaalsContact O-N 3.07Å; S163-Q167 PolarHBondContact O-N 3.45Å
164E79.6Confident76.5Confident102 Ų10288.9 Ų88.948%0.47746%0.456SS..Hα-helixtrans-60.4-41.5176-175.2172.6-161.800111.9N160 Q166 Q167 M168N160-E164 WeakPolarHBondContact O-CB 3.33Å; N160-E164 PolarHBondContact O-N 3.21Å; E164-Q166 VanDerWaalsContact C-N 3.31Å; E164-Q166 PolarHBondContact O-N 3Å; E164-Q167 WeakPolarHBondContact O-CB 3.48Å; E164-Q167 PolarHBondContact O-N 3.33Å; E164-M168 HydrophobicContact CG-CE 4.04Å; E164-M168 PolarHBondContact O-N 3.22Å; E164-M168 VanDerWaalsContact O-N 3.11Å
165K78.1Confident74.6Confident169 Ų16992.4 Ų92.474%0.73548%0.475SS*.Hα-helixtrans-64.4-33173.1-170.7-178.6179-1720112.9L161 S163 G169L161-K165 WeakPolarHBondContact O-CB 3.38Å; L161-K165 PolarHBondContact O-N 3.2Å; L161-K165 VanDerWaalsContact O-N 3.1Å; S163-K165 VanDerWaalsContact C-N 3.33Å; S163-K165 PolarHBondContact O-N 3.25Å; K165-G169 PolarHBondContact O-N 3.44Å
166Q69Low72.6Confident145 Ų14596.4 Ų96.468%0.67849%0.489SS*.Hα-helixtrans-70.8-40.1174.1-72.6177.9-51.900111.6A162 S163 E164 G169 A170A162-Q166 WeakPolarHBondContact O-CG 3.22Å; A162-Q166 PolarHBondContact O-N 3.22Å; A162-Q166 VanDerWaalsContact O-N 3.16Å; S163-Q166 WeakPolarHBondContact O-CB 3.48Å; S163-Q166 PolarHBondContact O-N 2.8Å; S163-Q166 VanDerWaalsContact O-N 3.07Å; E164-Q166 VanDerWaalsContact C-N 3.31Å; E164-Q166 PolarHBondContact O-N 3Å; Q166-G169 PolarHBondContact O-N 3.05Å; Q166-A170 PolarHBondContact O-N 3.3Å
167Q61.2Low70.7Confident121 Ų12194 Ų9457%0.56549%0.488SS*.Hα-helixtrans-57.3-58.2176.7-158.471.953.500110.9S163 E164 G169 A170 D171S163-Q167 PolarHBondContact O-N 3.45Å; E164-Q167 WeakPolarHBondContact O-CB 3.48Å; E164-Q167 PolarHBondContact O-N 3.33Å; Q167-G169 PolarHBondContact O-N 2.91Å; Q167-G169 VanDerWaalsContact O-N 3.16Å; Q167-A170 PolarHBondContact O-N 3.25Å; Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 3.3Å
168M58.8Low69Low125 Ų125101.9 Ų101.962%0.61652%0.516SS*.Hα-helixtrans-60.3-30179.2-65.7177-178.700113.4E164 G172E164-M168 HydrophobicContact CG-CE 4.04Å; E164-M168 PolarHBondContact O-N 3.22Å; E164-M168 VanDerWaalsContact O-N 3.11Å; M168-G172 PolarHBondContact O-N 2.88Å
169G55.1Low67Low51 Ų51108 Ų10853%0.52655%0.546SS..Hα-helixtrans-72.9-31.5175.200000113.9K165 Q166 Q167K165-G169 PolarHBondContact O-N 3.44Å; Q166-G169 PolarHBondContact O-N 3.05Å; Q167-G169 PolarHBondContact O-N 2.91Å; Q167-G169 VanDerWaalsContact O-N 3.16Å
170A54.6Low65Low42 Ų42107.9 Ų107.935%0.34756%0.555SS.*Hα-helixtrans-77-48.6173.100000111Q166 Q167 G172 M173 Y174Q166-A170 PolarHBondContact O-N 3.3Å; Q167-A170 PolarHBondContact O-N 3.25Å; A170-G172 VanDerWaalsContact C-N 3.34Å; A170-G172 PolarHBondContact O-N 3.44Å; A170-M173 WeakPolarHBondContact O-CA 3.41Å; A170-M173 WeakPolarHBondContact O-CB 3.48Å; A170-M173 PolarHBondContact O-N 3.19Å; A170-Y174 WeakPolarHBondContact O-CD2 3.18Å; A170-Y174 PolarHBondContact O-N 3.03Å
171D54.5Low63Low82 Ų82110.1 Ų110.144%0.43957%0.567SS.*Hα-helixtrans-58.6-45.4-177.4-60-31.5000110.9Q167 M173 Y174 D175Q167-D171 VanDerWaalsContact O-CG 3.25Å; Q167-D171 PolarHBondContact O-N 3.3Å; D171-M173 PolarHBondContact O-N 3.07Å; D171-Y174 PolarHBondContact O-N 2.92Å; D171-D175 WeakPolarHBondContact O-CB 3.43Å; D171-D175 PolarHBondContact O-N 3.07Å
172G53.6Low60.7Low40 Ų40111.2 Ų111.241%0.41259%0.588SS.*Hα-helixtrans-67.4-11.4175.700000115.7M168 A170 K176M168-G172 PolarHBondContact O-N 2.88Å; A170-G172 VanDerWaalsContact C-N 3.34Å; A170-G172 PolarHBondContact O-N 3.44Å; G172-K176 WeakPolarHBondContact O-CG 3.44Å
173M55.2Low58.4Low136 Ų136116.7 Ų116.767%0.6761%0.605SS**Hα-helixtrans-90.8-44.6170.6-170.167.1146.500110.7A170 D171 D175 K176 L177A170-M173 WeakPolarHBondContact O-CA 3.41Å; A170-M173 WeakPolarHBondContact O-CB 3.48Å; A170-M173 PolarHBondContact O-N 3.19Å; D171-M173 PolarHBondContact O-N 3.07Å; M173-D175 VanDerWaalsContact C-N 3.31Å; M173-D175 PolarHBondContact O-N 3.11Å; M173-K176 PolarHBondContact O-N 3.45Å; M173-L177 PolarHBondContact O-N 3.29Å
174Y54.7Low56Low173 Ų173119.9 Ų119.968%0.67862%0.622SS**Hα-helixtrans-62.7-35.6174.2-86.7-82.6000112.3A170 D171 L177 R178A170-Y174 WeakPolarHBondContact O-CD2 3.18Å; A170-Y174 PolarHBondContact O-N 3.03Å; D171-Y174 PolarHBondContact O-N 2.92Å; Y174-L177 PolarHBondContact O-N 3.46Å; Y174-R178 WeakPolarHBondContact O-CB 3.36Å; Y174-R178 PolarHBondContact O-N 2.75Å
175D56.1Low54.2Low74 Ų74118.3 Ų118.340%0.39663%0.633SS.*Hα-helixtrans-68.4-37.9176.7-122.8-20.9000112.4D171 M173 L177 R178 M179D171-D175 WeakPolarHBondContact O-CB 3.43Å; D171-D175 PolarHBondContact O-N 3.07Å; M173-D175 VanDerWaalsContact C-N 3.31Å; M173-D175 PolarHBondContact O-N 3.11Å; D175-L177 VanDerWaalsContact C-N 3.34Å; D175-R178 WeakPolarHBondContact O-CB 3.4Å; D175-R178 PolarHBondContact O-N 2.81Å; D175-R178 IonicContact OD1-CZ 3.24Å; D175-R178 IonicContact OD1-NE 3.27Å; D175-R178 PolarHBondContact OD1-NE 3.43Å; D175-R178 IonicContact OD1-NH2 2.71Å; D175-R178 PolarHBondContact OD1-NH2 3.13Å; D175-R178 IonicContact OD2-NH2 3.09Å; D175-M179 WeakPolarHBondContact O-CG 3.46Å; D175-M179 PolarHBondContact O-N 3.1Å
176K54.1Low52.1Low146 Ų146116.7 Ų116.764%0.63564%0.638SS**Hα-helixtrans-65.2-38.6172-74.8177.8178.2178.90111.8G172 M173 M179 L180G172-K176 WeakPolarHBondContact O-CG 3.44Å; M173-K176 PolarHBondContact O-N 3.45Å; K176-M179 PolarHBondContact O-N 3.33Å; K176-L180 WeakPolarHBondContact O-CB 3.43Å; K176-L180 PolarHBondContact O-N 3.18Å
177L56.2Low50.5Low116 Ų116122.6 Ų122.661%0.60765%0.654SS**Hα-helixtrans-66.6-38.9174.7-149.272.1000111.5M173 Y174 D175 L180 N181M173-L177 PolarHBondContact O-N 3.29Å; Y174-L177 PolarHBondContact O-N 3.46Å; D175-L177 VanDerWaalsContact C-N 3.34Å; L177-L180 PolarHBondContact O-N 3.49Å; L177-N181 PolarHBondContact O-N 2.94Å; L177-N181 VanDerWaalsContact O-N 3.11Å
178R58.3Low49.4Very low181 Ų181119.6 Ų119.668%0.68366%0.655SS**Hα-helixtrans-60.4-45.1174-179.5171.173.5125.1-8.6112Y174 D175 N181Y174-R178 WeakPolarHBondContact O-CB 3.36Å; Y174-R178 PolarHBondContact O-N 2.75Å; D175-R178 WeakPolarHBondContact O-CB 3.4Å; D175-R178 PolarHBondContact O-N 2.81Å; D175-R178 IonicContact OD1-CZ 3.24Å; D175-R178 IonicContact OD1-NE 3.27Å; D175-R178 PolarHBondContact OD1-NE 3.43Å; D175-R178 IonicContact OD1-NH2 2.71Å; D175-R178 PolarHBondContact OD1-NH2 3.13Å; D175-R178 IonicContact OD2-NH2 3.09Å; R178-N181 PolarHBondContact O-N 3.04Å
179M54Low48.2Very low160 Ų160120.2 Ų120.279%0.78867%0.666SS**Hα-helixtrans-71.9-30.7178.3-65.9-164.778.900113.2D175 K176D175-M179 WeakPolarHBondContact O-CG 3.46Å; D175-M179 PolarHBondContact O-N 3.1Å; K176-M179 PolarHBondContact O-N 3.33Å
180L52.8Low47.2Very low137 Ų137129.2 Ų129.272%0.71768%0.684SS**Hα-helixtrans-73.4-25.2175.4-89.7159.3000113.8K176 L177 G182K176-L180 WeakPolarHBondContact O-CB 3.43Å; K176-L180 PolarHBondContact O-N 3.18Å; L177-L180 PolarHBondContact O-N 3.49Å; L180-G182 PolarHBondContact O-N 3.05Å
181N49.7Very low46.4Very low148 Ų148132.9 Ų132.979%0.79171%0.705SS**THydrogen-bonded Turntrans-81.88.9-178.7-155.150.5000114L177 R178L177-N181 PolarHBondContact O-N 2.94Å; L177-N181 VanDerWaalsContact O-N 3.11Å; R178-N181 PolarHBondContact O-N 3.04Å
182G43.7Very low45.3Very low66 Ų66132.7 Ų132.768%0.6872%0.722SS**THydrogen-bonded Turntrans-94.7-3.6-177.300000115.9L180L180-G182 PolarHBondContact O-N 3.05Å
183Q40.5Very low44.4Very low167 Ų167142.2 Ų142.278%0.7875%0.746SS**SBendtrans-130120.9-179.4-80.8-177.4-22.600112.6
184T36.2Very low43.5Very low137 Ų137146.4 Ų146.484%0.8476%0.756SS**  trans24.299.3146.255.30000116.6
185G42.9Very low42.6Very low69 Ų69144.5 Ų144.571%0.71177%0.765SS**  trans-75.7138.2-173.400000115.6
186T33.3Very low41.4Very low135 Ų135144.3 Ų144.383%0.82878%0.78SS**  trans-140.594.7156.150.30000108.9G188T186-G188 PolarHBondContact O-N 3.49Å
187W36.1Very low40.5Very low268 Ų268144.5 Ų144.5100%1.01579%0.794SS**  trans-79.768.2176.5-74.598.2000111.1
188G36.9Very low39.3Very low58 Ų58144 Ų14460%0.59880%0.799SS**  trans-116.8126.1177.200000112.3T186T186-G188 PolarHBondContact O-N 3.49Å
189T32.8Very low38.3Very low138 Ų138141.9 Ų141.985%0.84781%0.806SS**  trans55.7101.2157.2-45.70000117.9
190R34.8Very low37.8Very low240 Ų240140.1 Ų140.191%0.90681%0.807SS**PPolyproline II helixtrans-85.4135.3147.4-84.1-176.7167.1-90.5-2.7109.2
191P38.4Very low36.7Very low119 Ų119136.8 Ų136.877%0.77381%0.806SS**PPolyproline II helixtrans-71.7140.6176.730-34.4000111
192G30.7Very low36Very low78 Ų78138.6 Ų138.680%0.80481%0.81SS**PPolyproline II helixtrans-83.6142172.800000112.2
193W35.5Very low36Very low241 Ų241140.1 Ų140.191%0.91381%0.808SS**PPolyproline II helixtrans-90.2161.2154.5-108.1-65.7000109.2
194Y35.4Very low35.5Very low224 Ų224139 Ų13988%0.87881%0.807SS**  trans77.2107.3-175-55.4-73.8000116.1
195P36.6Very low35.3Very low133 Ų133140.5 Ų140.586%0.86480%0.804SS**  trans-95150.7166.836.1-31000112.4
196G30.3Very low34.7Very low70 Ų70144 Ų14472%0.72281%0.807SS**  trans110.499.2154.300000117.4
197T34.5Very low34.4Very low150 Ų150140.4 Ų140.492%0.9280%0.796SS**  -179.5167.912924.90000109.1
198S32.4Very low34Very low104 Ų104133.7 Ų133.773%0.72779%0.789SS**  trans-146137.9-142.459.40000117.3
199V36.5Very low33.6Very low137 Ų137139.8 Ų139.883%0.8380%0.802SS**  trans69.3170159.2-111.50000116.9
200P43.9Very low33.5Very low123 Ų123140.5 Ų140.580%0.79980%0.796SS**  -138.3177.8-118.445.6-27.1000118.3
201G29.6Very low33.2Very low68 Ų68137.5 Ų137.570%0.70179%0.792SS**  trans121147130.200000120.9
202Q34.6Very low32.9Very low185 Ų185138.2 Ų138.286%0.86479%0.79SS**  trans73.5157.8155.6-73.1-73.3-78.900119.2
203P44Very low32.7Very low98 Ų98138.4 Ų138.464%0.63679%0.791SS**  trans-144.2-177.5-133.345.7-27000118.9
204N29.7Very low32.7Very low143 Ų143132.1 Ų132.177%0.76579%0.791SS**  trans82.5167.8147-153.831.1000119.8
205Q32.7Very low32.5Very low169 Ų169125.2 Ų125.279%0.7979%0.787SS**  trans81.3144.3-178.8-60.6-173.324.200116.9
206D29.8Very low32.3Very low143 Ų143127 Ų12777%0.76578%0.784SS**  cis-167.5164.7-33-123.9-58.1000110.9
207G28.4Very low32.2Very low59 Ų59130.4 Ų130.461%0.60879%0.786SS**  trans82.5129.2172.800000115.8
208C25.8Very low32.4Very low128 Ų128129.3 Ų129.387%0.86578%0.779SS**  cis71.3136.542.4-53.30000112.7
209Q28.3Very low32.2Very low186 Ų186132.2 Ų132.287%0.86979%0.787SS**  cis-139.4173.130.3-65.9174.9-50.100114.8
210Q32Very low32.4Very low153 Ų153131 Ų13172%0.71579%0.785SS**  trans-116153.1172.1172.5177.8-8.900109.7D212Q210-D212 PolarHBondContact NE2-OD1 2.83Å
211Q28.7Very low31.8Very low176 Ų176133.4 Ų133.482%0.82279%0.789SS**  trans-158.4148.1159.2-131.2153.810700112.2
212D30.7Very low32.4Very low135 Ų135136.1 Ų136.172%0.72280%0.797SS**  trans-105.8171.3-161.1-51.4-85.4000113.9Q210Q210-D212 PolarHBondContact NE2-OD1 2.83Å
213G27.4Very low32.4Very low82 Ų82132 Ų13285%0.84579%0.789SS**  trans-163.678.1176.400000111.7
214A36.1Very low32.4Very low109 Ų109134.8 Ų134.890%0.90180%0.798SS**  trans-88152.3-178.100000113
215G30.2Very low32.8Very low78 Ų78130.6 Ų130.680%0.80479%0.789SS**  trans-169.5114.7173.600000110.6
216E32Very low33.2Very low171 Ų171130.6 Ų130.680%0.79979%0.789SS**  trans-95.6149.9-169.9-59.4164.9111.200112
217N29.5Very low34.1Very low142 Ų142129.9 Ų129.976%0.75979%0.785SS**  171.5131.4109.1-90.8-66000114.3
218T38.7Very low35.2Very low127 Ų127130.4 Ų130.478%0.77978%0.779SS**  trans10.7121.3152.860.20000120.5
219N28.1Very low36.5Very low165 Ų165130.2 Ų130.288%0.88277%0.766SS**  -157.7151110.1-138.8-15.3000112.5
220S41.1Very low37.7Very low112 Ų112127.4 Ų127.478%0.78375%0.752SS**  trans-109.6122.3179.2-64.50000111.5
221I31.5Very low38.8Very low173 Ų173122.9 Ų122.989%0.88774%0.736SS**  trans-155.3139.7158.9-117.5162.4000110.5
222S41.3Very low40.2Very low124 Ų124119.7 Ų119.787%0.86772%0.72SS**  trans-105.7129.7178.3-57.80000110.4
223S34.3Very low41.5Very low100 Ų100118.6 Ų118.670%0.69971%0.713SS**  trans-170.2126.7151.2-164.10000112.5
224N43.9Very low43.2Very low156 Ų156123.2 Ų123.283%0.83470%0.704SS**  trans22.7116.6148.1-54.5-80.7000119.8
225G37.4Very low44.1Very low55 Ų55121.6 Ų121.657%0.56768%0.68SS**  trans-143.1-0.9170.700000117.2D227G225-D227 PolarHBondContact O-N 2.91Å
226E41.5Very low45.3Very low169 Ų169121.8 Ų121.879%0.7966%0.66SS**THydrogen-bonded Turntrans-69.3-23.2-156.9-56.3-177.715100116S228E226-S228 PolarHBondContact O-N 3.03Å
227D48.3Very low46.2Very low128 Ų128119.3 Ų119.368%0.68465%0.652SS**Hα-helixtrans-68.4-30.7-175.1-178.566000113.9G225 T231G225-D227 PolarHBondContact O-N 2.91Å; D227-T231 WeakPolarHBondContact O-CB 3.33Å; D227-T231 PolarHBondContact O-N 2.91Å; D227-T231 VanDerWaalsContact O-N 3.07Å; D227-T231 PolarHBondContact O-OG1 3.16Å
228S53.2Low47.2Very low70 Ų70120.2 Ų120.249%0.4965%0.649SS.*Hα-helixtrans-67.7-41.7-175.6-174.50000111.9E226 Q232E226-S228 PolarHBondContact O-N 3.03Å; S228-Q232 WeakPolarHBondContact O-CB 3.39Å; S228-Q232 VanDerWaalsContact O-CG 3.26Å; S228-Q232 WeakPolarHBondContact O-CG 3.45Å; S228-Q232 PolarHBondContact O-N 2.86Å; S228-Q232 PolarHBondContact OG-NE2 3.41Å
229E52Low47.9Very low124 Ų124122 Ų12258%0.57964%0.641SS**Hα-helixtrans-81.7-35-175.853.4-171.8112.500113.3Q232 M233E229-Q232 PolarHBondContact O-N 3.13Å; E229-M233 WeakPolarHBondContact O-CB 3.45Å; E229-M233 WeakPolarHBondContact O-CG 3.49Å; E229-M233 PolarHBondContact O-N 2.93Å
230E52.9Low48.7Very low126 Ų126121.2 Ų121.259%0.58963%0.63SS**Hα-helixtrans-63.4-43.8168-159.6-160.5140.800110.7Q232 M233 R234E230-Q232 VanDerWaalsContact C-N 3.34Å; E230-Q232 PolarHBondContact O-N 3.01Å; E230-M233 PolarHBondContact O-N 2.99Å; E230-R234 WeakPolarHBondContact O-CB 3.3Å; E230-R234 PolarHBondContact O-N 3.21Å
231T56.9Low49.1Very low59 Ų59122.9 Ų122.936%0.36263%0.63SS.*Hα-helixtrans-61.3-41177.3-71.90000112D227 L235D227-T231 WeakPolarHBondContact O-CB 3.33Å; D227-T231 PolarHBondContact O-N 2.91Å; D227-T231 VanDerWaalsContact O-N 3.07Å; D227-T231 PolarHBondContact O-OG1 3.16Å; T231-L235 HydrophobicContact CG2-CD1 4.17Å; T231-L235 WeakPolarHBondContact O-CB 3.42Å; T231-L235 WeakPolarHBondContact O-CG 3.19Å; T231-L235 PolarHBondContact O-N 2.92Å
232Q58Low49.5Very low108 Ų108122.1 Ų122.151%0.50562%0.622SS.*Hα-helixtrans-67.4-43.8173.7-76.1-176.663.900112.6S228 E229 E230 R234 L235 Q236S228-Q232 WeakPolarHBondContact O-CB 3.39Å; S228-Q232 VanDerWaalsContact O-CG 3.26Å; S228-Q232 WeakPolarHBondContact O-CG 3.45Å; S228-Q232 PolarHBondContact O-N 2.86Å; S228-Q232 PolarHBondContact OG-NE2 3.41Å; E229-Q232 PolarHBondContact O-N 3.13Å; E230-Q232 VanDerWaalsContact C-N 3.34Å; E230-Q232 PolarHBondContact O-N 3.01Å; Q232-R234 VanDerWaalsContact C-N 3.35Å; Q232-R234 PolarHBondContact O-N 3.04Å; Q232-L235 PolarHBondContact O-N 2.96Å; Q232-Q236 WeakPolarHBondContact O-CG 3.49Å; Q232-Q236 PolarHBondContact O-N 3.42Å
233M57.9Low50.2Low113 Ų113127 Ų12756%0.55762%0.622SS**Hα-helixtrans-59.8-44.5174.9-79-167.9-83.800111.4E229 E230 Q236 L237E229-M233 WeakPolarHBondContact O-CB 3.45Å; E229-M233 WeakPolarHBondContact O-CG 3.49Å; E229-M233 PolarHBondContact O-N 2.93Å; E230-M233 PolarHBondContact O-N 2.99Å; M233-Q236 CarbonylContact O-C 3.15Å; M233-Q236 WeakPolarHBondContact O-CB 3.43Å; M233-Q236 PolarHBondContact O-N 3.28Å; M233-L237 WeakPolarHBondContact O-CB 3.3Å; M233-L237 PolarHBondContact O-N 3.49Å
234R61.4Low51Low178 Ų178129.4 Ų129.467%0.67263%0.627SS**Hα-helixtrans-62.5-39.9175.8177.2177.7163.9118.1-9.6112.5E230 Q232 L237 K238E230-R234 WeakPolarHBondContact O-CB 3.3Å; E230-R234 PolarHBondContact O-N 3.21Å; Q232-R234 VanDerWaalsContact C-N 3.35Å; Q232-R234 PolarHBondContact O-N 3.04Å; R234-L237 PolarHBondContact O-N 2.74Å; R234-K238 WeakPolarHBondContact O-CB 3.38Å; R234-K238 PolarHBondContact O-N 3.47Å
235L57Low52.6Low76 Ų76133 Ų13340%0.39863%0.628SS.*Hα-helixtrans-66.9-42.3172.1-81.7165.4000112.1T231 Q232 K238 R239T231-L235 HydrophobicContact CG2-CD1 4.17Å; T231-L235 WeakPolarHBondContact O-CB 3.42Å; T231-L235 WeakPolarHBondContact O-CG 3.19Å; T231-L235 PolarHBondContact O-N 2.92Å; Q232-L235 PolarHBondContact O-N 2.96Å; L235-K238 PolarHBondContact O-N 3.25Å; L235-R239 WeakPolarHBondContact O-CG 3.44Å; L235-R239 PolarHBondContact O-N 3.39Å; L235-R239 VanDerWaalsContact O-N 3.11Å
236Q53.8Low54.7Low81 Ų81132.1 Ų132.138%0.37961%0.612SS.*Hα-helixtrans-62.4-43173.1-72.9-171.139.400111.6Q232 M233 K238 R239 K240Q232-Q236 WeakPolarHBondContact O-CG 3.49Å; Q232-Q236 PolarHBondContact O-N 3.42Å; M233-Q236 CarbonylContact O-C 3.15Å; M233-Q236 WeakPolarHBondContact O-CB 3.43Å; M233-Q236 PolarHBondContact O-N 3.28Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 2.8Å; Q236-R239 PolarHBondContact O-N 3.11Å; Q236-K240 WeakPolarHBondContact O-CB 3.26Å; Q236-K240 VanDerWaalsContact O-CG 3.26Å; Q236-K240 WeakPolarHBondContact O-CG 3.36Å; Q236-K240 PolarHBondContact O-N 2.77Å
237L51.8Low56.8Low120 Ų120129.3 Ų129.363%0.62861%0.611SS**Hα-helixtrans-62.9-42.5178.2-148.776.2000110.8M233 R234 R239 K240 L241M233-L237 WeakPolarHBondContact O-CB 3.3Å; M233-L237 PolarHBondContact O-N 3.49Å; R234-L237 PolarHBondContact O-N 2.74Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.21Å; L237-K240 PolarHBondContact O-N 3.23Å; L237-L241 WeakPolarHBondContact O-CB 3.38Å; L237-L241 PolarHBondContact O-N 3.26Å
238K49.5Very low58.9Low161 Ų161125.6 Ų125.670%0.759%0.589SS**Hα-helixtrans-59.8-37.2174.6-173-177.8177.9-1740112.6R234 L235 Q236R234-K238 WeakPolarHBondContact O-CB 3.38Å; R234-K238 PolarHBondContact O-N 3.47Å; L235-K238 PolarHBondContact O-N 3.25Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 2.8Å
239R53.9Low60.8Low164 Ų164125.8 Ų125.862%0.61959%0.588SS**Hα-helixtrans-73.4-46.9172-63.5-177.6-154.6120.10.4111.7L235 Q236 L237 L241 Q242L235-R239 WeakPolarHBondContact O-CG 3.44Å; L235-R239 PolarHBondContact O-N 3.39Å; L235-R239 VanDerWaalsContact O-N 3.11Å; Q236-R239 PolarHBondContact O-N 3.11Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 3.21Å; R239-L241 PolarHBondContact O-N 2.92Å; R239-Q242 WeakPolarHBondContact O-CB 3.39Å; R239-Q242 PolarHBondContact O-N 3.36Å
240K45.8Very low62.9Low149 Ų149125.6 Ų125.665%0.64859%0.587SS**Hα-helixtrans-61.7-24.6-179.8-72.6169.9-176.2170.40113.1Q236 L237Q236-K240 WeakPolarHBondContact O-CB 3.26Å; Q236-K240 VanDerWaalsContact O-CG 3.26Å; Q236-K240 WeakPolarHBondContact O-CG 3.36Å; Q236-K240 PolarHBondContact O-N 2.77Å; L237-K240 PolarHBondContact O-N 3.23Å
241L49.4Very low64.8Low147 Ų147126.7 Ų126.777%0.7759%0.592SS**THydrogen-bonded Turntrans-81.6-13.2175.3-144.574000114.1L237 R239 R243L237-L241 WeakPolarHBondContact O-CB 3.38Å; L237-L241 PolarHBondContact O-N 3.26Å; R239-L241 PolarHBondContact O-N 2.92Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.3Å
242Q40.1Very low66.7Low156 Ų156125 Ų12573%0.72958%0.58SS**SBendtrans-79.577.2173.1-172.7174.8-5.200109.6R239 N244R239-Q242 WeakPolarHBondContact O-CB 3.39Å; R239-Q242 PolarHBondContact O-N 3.36Å; Q242-N244 PolarHBondContact O-N 3.21Å; Q242-N244 VanDerWaalsContact O-N 3.16Å
243R56.1Low68.5Low228 Ų228122.1 Ų122.186%0.8657%0.567SS**  trans-42.7121.4-178.6-66.4-174-178.1120.2-1.1111.9L241 R245L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.3Å; R243-R245 PolarHBondContact O-N 2.9Å
244N51Low70.3Confident150 Ų150122 Ų12280%0.80257%0.565SS**  trans-54.1102.9175.4-59.837.3000109.6Q242Q242-N244 PolarHBondContact O-N 3.21Å; Q242-N244 VanDerWaalsContact O-N 3.16Å
245R76.3Confident72Confident231 Ų231114.5 Ų114.587%0.87254%0.541SS*.  trans-75.2127.1176.5-176.3-178.2178.1-154.9-3.2107.5R243 S247R243-R245 PolarHBondContact O-N 2.9Å; R245-S247 PolarHBondContact O-N 3.21Å
246T81.4Confident73.9Confident36 Ų36110.9 Ų110.922%0.22152%0.522CS..  trans-58.8113.8168.1-51.80000107.9F248 L280 R284T246-F248 HydrophobicContact CG2-CD1 3.77Å; T246-F248 HydrophobicContact CG2-CE1 3.46Å; T246-F248 VanDerWaalsContact CG2-CE1 3.46Å; T246-F248 HydrophobicContact CG2-CG 4.49Å; T246-F248 HydrophobicContact CG2-CZ 3.95Å; T246-L280 HydrophobicContact CG2-CD2 4.1Å; T246-R284 WeakPolarHBondContact OG1-CD 3.26Å; T246-R284 PolarHBondContact OG1-NH1 2.97Å
247S85.9Confident76Confident111 Ų111110 Ų11078%0.77652%0.518SS*.PPolyproline II helixtrans-80.2135.4157.7-161.10000106.7R245R245-S247 PolarHBondContact O-N 3.21Å
248F92.2Very high78.1Confident50 Ų50111.7 Ų111.722%0.21952%0.52CS..PPolyproline II helixtrans-99.6145.4175.4-56.3-73.1000108.3T246 Q252 I253 L256 L280 W288T246-F248 HydrophobicContact CG2-CD1 3.77Å; T246-F248 HydrophobicContact CG2-CE1 3.46Å; T246-F248 VanDerWaalsContact CG2-CE1 3.46Å; T246-F248 HydrophobicContact CG2-CG 4.49Å; T246-F248 HydrophobicContact CG2-CZ 3.95Å; F248-Q252 VanDerWaalsContact CA-OE1 3.31Å; F248-Q252 HydrophobicContact CB-CB 4.23Å; F248-I253 HydrophobicContact CB-CD1 4.14Å; F248-I253 HydrophobicContact CB-CG1 3.7Å; F248-L256 HydrophobicContact CD1-CD1 4.45Å; F248-L280 HydrophobicContact CD1-CD1 3.55Å; F248-L280 HydrophobicContact CD1-CD2 4.05Å; F248-L280 HydrophobicContact CD1-CG 4.49Å; F248-L280 HydrophobicContact CE1-CD1 3.77Å; F248-L280 HydrophobicContact CE1-CD2 4.21Å; F248-W288 AromaticContact CE2-CD1 3.7Å; F248-W288 HydrophobicContact CZ-CB 4.41Å; F248-W288 AromaticContact CZ-CD1 3.96Å
249T94.4Very high80.4Confident74 Ų74105.4 Ų105.445%0.45449%0.494SS..PPolyproline II helixtrans-69.9162.8167.468.10000110E251 Q252 I253T249-E251 VanDerWaalsContact C-N 3.33Å; T249-E251 PolarHBondContact O-N 3.37Å; T249-Q252 WeakPolarHBondContact O-CB 3.35Å; T249-Q252 PolarHBondContact O-N 2.84Å; T249-Q252 WeakPolarHBondContact OG1-CB 3.36Å; T249-Q252 VanDerWaalsContact OG1-CG 3.26Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.39Å; T249-Q252 PolarHBondContact OG1-N 2.88Å; T249-Q252 VanDerWaalsContact OG1-N 3.13Å; T249-I253 WeakPolarHBondContact O-CG1 3.4Å; T249-I253 PolarHBondContact O-N 3.08Å
250Q94.2Very high82.4Confident120 Ų12098 Ų9856%0.56147%0.465SS*.Hα-helixtrans-60.6-43.9177179.958.622.800111.3Q252 I253 E254Q250-Q252 PolarHBondContact O-N 3.34Å; Q250-I253 WeakPolarHBondContact O-CB 3.24Å; Q250-I253 PolarHBondContact O-N 2.98Å; Q250-I253 VanDerWaalsContact O-N 3.11Å; Q250-E254 WeakPolarHBondContact CG-OE1 3.27Å; Q250-E254 PolarHBondContact NE2-OE1 3.28Å; Q250-E254 WeakPolarHBondContact O-CG 3.39Å; Q250-E254 PolarHBondContact O-N 3.19Å
251E94.1Very high84.9Confident149 Ų14998.2 Ų98.270%0.69647%0.469SS*.Hα-helixtrans-59.7-42.5175-178.1179.4-166.100112.8T249 I253 E254 A255T249-E251 VanDerWaalsContact C-N 3.33Å; T249-E251 PolarHBondContact O-N 3.37Å; E251-I253 VanDerWaalsContact C-N 3.31Å; E251-I253 PolarHBondContact O-N 3.38Å; E251-E254 PolarHBondContact O-N 3.48Å; E251-A255 WeakPolarHBondContact O-CB 3.35Å; E251-A255 PolarHBondContact O-N 2.94Å
252Q95.5Very high87Confident24 Ų2498.2 Ų98.211%0.11246%0.459CS..Hα-helixtrans-59.5-42.5173.4-80168.4-6.200111.4F248 T249 Q250 L256 I278 L280F248-Q252 VanDerWaalsContact CA-OE1 3.31Å; F248-Q252 HydrophobicContact CB-CB 4.23Å; T249-Q252 WeakPolarHBondContact O-CB 3.35Å; T249-Q252 PolarHBondContact O-N 2.84Å; T249-Q252 WeakPolarHBondContact OG1-CB 3.36Å; T249-Q252 VanDerWaalsContact OG1-CG 3.26Å; T249-Q252 WeakPolarHBondContact OG1-CG 3.39Å; T249-Q252 PolarHBondContact OG1-N 2.88Å; T249-Q252 VanDerWaalsContact OG1-N 3.13Å; Q250-Q252 PolarHBondContact O-N 3.34Å; Q252-L256 WeakPolarHBondContact O-CB 3.39Å; Q252-L256 VanDerWaalsContact O-CD1 3.25Å; Q252-L256 WeakPolarHBondContact O-CD1 3.15Å; Q252-L256 WeakPolarHBondContact O-CG 3.33Å; Q252-L256 PolarHBondContact O-N 2.8Å; Q252-I278 HydrophobicContact CB-CD1 4.42Å; Q252-I278 HydrophobicContact CG-CB 3.97Å; Q252-I278 HydrophobicContact CG-CD1 4.37Å; Q252-I278 HydrophobicContact CG-CG1 4.19Å; Q252-I278 WeakPolarHBondContact CG-O 3.49Å; Q252-I278 PolarHBondContact NE2-O 3.5Å; Q252-L280 HydrophobicContact CB-CD1 4.09Å; Q252-L280 HydrophobicContact CG-CD1 3.89Å; Q252-L280 HydrophobicContact CG-CG 4.2Å
253I96.4Very high89.6Confident47 Ų4792.6 Ų92.624%0.24144%0.435CS..Hα-helixtrans-65.1-46.7177.2-65.5165.9000110.5F248 T249 Q250 E251 A255 L256 E257F248-I253 HydrophobicContact CB-CD1 4.14Å; F248-I253 HydrophobicContact CB-CG1 3.7Å; T249-I253 WeakPolarHBondContact O-CG1 3.4Å; T249-I253 PolarHBondContact O-N 3.08Å; Q250-I253 WeakPolarHBondContact O-CB 3.24Å; Q250-I253 PolarHBondContact O-N 2.98Å; Q250-I253 VanDerWaalsContact O-N 3.11Å; E251-I253 VanDerWaalsContact C-N 3.31Å; E251-I253 PolarHBondContact O-N 3.38Å; I253-A255 PolarHBondContact O-N 3.07Å; I253-L256 PolarHBondContact O-N 3.24Å; I253-E257 HydrophobicContact CG2-CG 4.19Å; I253-E257 WeakPolarHBondContact O-CB 3.4Å; I253-E257 WeakPolarHBondContact O-CG 3.47Å; I253-E257 PolarHBondContact O-N 3.4Å
254E96.8Very high91.5Very high111 Ų11184.8 Ų84.852%0.51941%0.408SS..Hα-helixtrans-62.1-41.4179.7-73.4171.5-168.400112.3Q250 E251 E257 K258Q250-E254 WeakPolarHBondContact CG-OE1 3.27Å; Q250-E254 PolarHBondContact NE2-OE1 3.28Å; Q250-E254 WeakPolarHBondContact O-CG 3.39Å; Q250-E254 PolarHBondContact O-N 3.19Å; E251-E254 PolarHBondContact O-N 3.48Å; E254-E257 PolarHBondContact O-N 2.83Å; E254-K258 WeakPolarHBondContact O-CB 3.35Å; E254-K258 PolarHBondContact O-N 2.84Å
255A96.3Very high93.6Very high19 Ų1985.2 Ų85.216%0.15740%0.4CS..Hα-helixtrans-65.1-38.8174.100000112.6E251 I253 E259 L274 I278E251-A255 WeakPolarHBondContact O-CB 3.35Å; E251-A255 PolarHBondContact O-N 2.94Å; I253-A255 PolarHBondContact O-N 3.07Å; A255-E259 WeakPolarHBondContact O-CB 3.41Å; A255-E259 PolarHBondContact O-N 3.47Å; A255-E259 VanDerWaalsContact O-N 3.08Å; A255-L274 HydrophobicContact CB-CD1 4.32Å; A255-I278 HydrophobicContact CB-CD1 4.46Å; A255-I278 HydrophobicContact CB-CG2 3.71Å
256L97.4Very high94.6Very high0 Ų074.7 Ų74.70%036%0.362CS..Hα-helixtrans-68.5-39175.5-75.3162.9000112.3F248 Q252 I253 F260 L274 I278 L280 I285 W288 F289F248-L256 HydrophobicContact CD1-CD1 4.45Å; Q252-L256 WeakPolarHBondContact O-CB 3.39Å; Q252-L256 VanDerWaalsContact O-CD1 3.25Å; Q252-L256 WeakPolarHBondContact O-CD1 3.15Å; Q252-L256 WeakPolarHBondContact O-CG 3.33Å; Q252-L256 PolarHBondContact O-N 2.8Å; I253-L256 PolarHBondContact O-N 3.24Å; L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 PolarHBondContact O-N 3.45Å; L256-L274 HydrophobicContact CD2-CD2 3.68Å; L256-L274 HydrophobicContact CG-CD2 4.4Å; L256-I278 HydrophobicContact CD1-CD1 4.19Å; L256-I278 HydrophobicContact CD2-CD1 4.22Å; L256-I278 HydrophobicContact CG-CD1 3.83Å; L256-L280 HydrophobicContact CD1-CD1 4.18Å; L256-I285 HydrophobicContact CD2-CB 4.33Å; L256-I285 HydrophobicContact CD2-CD1 4.41Å; L256-I285 HydrophobicContact CD2-CG1 4.09Å; L256-I285 HydrophobicContact CD2-CG2 3.82Å; L256-W288 HydrophobicContact CB-CD2 3.91Å; L256-W288 HydrophobicContact CB-CE3 3.95Å; L256-W288 HydrophobicContact CB-CH2 3.77Å; L256-W288 HydrophobicContact CB-CZ2 3.69Å; L256-W288 HydrophobicContact CB-CZ3 3.89Å; L256-W288 HydrophobicContact CD1-CD2 4.02Å; L256-W288 HydrophobicContact CD1-CG 3.9Å; L256-W288 HydrophobicContact CD2-CD2 4.12Å; L256-W288 HydrophobicContact CD2-CE3 4.01Å; L256-W288 HydrophobicContact CD2-CG 4.37Å; L256-W288 HydrophobicContact CG-CD2 4.25Å; L256-W288 HydrophobicContact CG-CE3 4.44Å; L256-W288 WeakPolarHBondContact O-CH2 3.43Å; L256-W288 WeakPolarHBondContact O-CZ3 3.49Å; L256-F289 HydrophobicContact CD2-CD2 4.3Å; L256-F289 HydrophobicContact CD2-CE2 3.86Å
257E97.3Very high95.3Very high62 Ų6276.9 Ų76.929%0.2937%0.372SS..Hα-helixtrans-71.9-41.3177-67.7-163.3178.800111.9I253 E254 E259 F260 E261 W288 R292I253-E257 HydrophobicContact CG2-CG 4.19Å; I253-E257 WeakPolarHBondContact O-CB 3.4Å; I253-E257 WeakPolarHBondContact O-CG 3.47Å; I253-E257 PolarHBondContact O-N 3.4Å; E254-E257 PolarHBondContact O-N 2.83Å; E257-E259 PolarHBondContact O-N 3.4Å; E257-F260 CarbonylContact O-C 3.58Å; E257-F260 WeakPolarHBondContact O-CA 3.14Å; E257-F260 WeakPolarHBondContact O-CB 3.4Å; E257-F260 PolarHBondContact O-N 3.4Å; E257-F260 VanDerWaalsContact O-N 3.08Å; E257-E261 WeakPolarHBondContact O-CG 3.5Å; E257-E261 PolarHBondContact O-N 3.5Å; E257-W288 HydrophobicContact CG-CH2 3.76Å; E257-W288 HydrophobicContact CG-CZ2 3.65Å; E257-R292 VanDerWaalsContact CD-CZ 3.42Å; E257-R292 VanDerWaalsContact CD-NH1 3.26Å; E257-R292 IonicContact OE1-CZ 2.65Å; E257-R292 VanDerWaalsContact OE1-CZ 3.23Å; E257-R292 IonicContact OE1-NH1 2.94Å; E257-R292 PolarHBondContact OE1-NH1 2.85Å; E257-R292 IonicContact OE1-NH2 2.71Å; E257-R292 PolarHBondContact OE1-NH2 3.05Å; E257-R292 IonicContact OE2-CZ 2.7Å; E257-R292 IonicContact OE2-NH1 3.18Å; E257-R292 IonicContact OE2-NH2 2.92Å; E257-R292 PolarHBondContact OE2-NH2 2.89Å
258K96.9Very high95.8Very high157 Ų15775 Ų7568%0.68336%0.356SS*.Hα-helixtrans-61.4-40.2173.7-175.5170.2-175165.70113.1E254 F260 R262E254-K258 WeakPolarHBondContact O-CB 3.35Å; E254-K258 PolarHBondContact O-N 2.84Å; K258-F260 VanDerWaalsContact C-N 3.34Å; K258-R262 PolarHBondContact O-N 2.92Å
259E96.9Very high96Very high29 Ų2979.9 Ų79.914%0.13638%0.377CS..Hα-helixtrans-72.1-29.4174.2-17166.9-171.300111.7A255 E257 R262 T263 L274 F289A255-E259 WeakPolarHBondContact O-CB 3.41Å; A255-E259 PolarHBondContact O-N 3.47Å; A255-E259 VanDerWaalsContact O-N 3.08Å; E257-E259 PolarHBondContact O-N 3.4Å; E259-R262 VanDerWaalsContact CD-NE 3.33Å; E259-R262 WeakPolarHBondContact O-CB 3.4Å; E259-R262 PolarHBondContact O-N 2.95Å; E259-R262 IonicContact OE1-CZ 3.22Å; E259-R262 IonicContact OE1-NE 2.69Å; E259-R262 PolarHBondContact OE1-NE 3.2Å; E259-R262 IonicContact OE1-NH2 2.67Å; E259-R262 PolarHBondContact OE1-NH2 2.98Å; E259-R262 IonicContact OE2-NE 3.12Å; E259-R262 PolarHBondContact OE2-NE 3.24Å; E259-T263 PolarHBondContact O-N 3.14Å; E259-L274 HydrophobicContact CB-CD2 4.04Å; E259-L274 HydrophobicContact CG-CD2 4.14Å; E259-F289 HydrophobicContact CB-CZ 4.12Å; E259-F289 HydrophobicContact CG-CZ 4.06Å
260F96.9Very high96.1Very high7 Ų776.5 Ų76.53%0.03136%0.357CS..Hα-helixtrans-68.9-37.7173.6-173.6-94.6000113.1L256 E257 K258 R262 T263 H264 W288 F289 R292 R293 W296L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 PolarHBondContact O-N 3.45Å; E257-F260 CarbonylContact O-C 3.58Å; E257-F260 WeakPolarHBondContact O-CA 3.14Å; E257-F260 WeakPolarHBondContact O-CB 3.4Å; E257-F260 PolarHBondContact O-N 3.4Å; E257-F260 VanDerWaalsContact O-N 3.08Å; K258-F260 VanDerWaalsContact C-N 3.34Å; F260-R262 VanDerWaalsContact C-N 3.3Å; F260-T263 WeakPolarHBondContact CA-O 3.34Å; F260-T263 CarbonylContact O-C 3.59Å; F260-T263 PolarHBondContact O-N 3.1Å; F260-H264 AromaticContact CD1-CD2 3.64Å; F260-H264 AromaticContact CE1-CD2 3.19Å; F260-H264 WeakPolarHBondContact CE1-CD2 3.43Å; F260-H264 AromaticContact CE1-NE2 3.45Å; F260-H264 WeakPolarHBondContact CE1-NE2 3.49Å; F260-H264 HydrophobicContact CE2-CB 4.12Å; F260-H264 AromaticContact CE2-CD2 3.72Å; F260-H264 HydrophobicContact CZ-CB 4.28Å; F260-H264 AromaticContact CZ-CD2 3.23Å; F260-H264 WeakPolarHBondContact CZ-CD2 3.39Å; F260-H264 AromaticContact CZ-CG 3.87Å; F260-H264 AromaticContact CZ-NE2 3.81Å; F260-H264 PolarHBondContact O-CD2 3.46Å; F260-H264 VanDerWaalsContact O-CD2 3.29Å; F260-H264 PolarHBondContact O-N 3.27Å; F260-W288 HydrophobicContact CB-CH2 4.16Å; F260-W288 HydrophobicContact CB-CZ3 4.04Å; F260-W288 HydrophobicContact CD2-CZ3 4.24Å; F260-W288 HydrophobicContact CG-CZ3 4.38Å; F260-F289 HydrophobicContact CB-CE1 3.91Å; F260-F289 HydrophobicContact CB-CZ 4.27Å; F260-F289 AromaticContact CD2-CD1 3.74Å; F260-F289 HydrophobicContact CD2-CD1 3.74Å; F260-F289 AromaticContact CD2-CE1 3.72Å; F260-F289 HydrophobicContact CD2-CE1 3.72Å; F260-F289 HydrophobicContact CE2-CD1 4.48Å; F260-F289 HydrophobicContact CG-CE1 4.31Å; F260-R292 HydrophobicContact CD1-CG 3.82Å; F260-R292 HydrophobicContact CD2-CB 4.05Å; F260-R292 HydrophobicContact CD2-CG 3.49Å; F260-R292 VanDerWaalsContact CD2-CG 3.49Å; F260-R292 HydrophobicContact CE1-CG 3.74Å; F260-R292 HydrophobicContact CE2-CB 3.88Å; F260-R292 HydrophobicContact CE2-CG 3.42Å; F260-R292 VanDerWaalsContact CE2-CG 3.42Å; F260-R292 HydrophobicContact CG-CG 3.71Å; F260-R292 HydrophobicContact CZ-CB 4.36Å; F260-R292 HydrophobicContact CZ-CG 3.56Å; F260-R293 HydrophobicContact CE2-CG 3.87Å; F260-R293 HydrophobicContact CZ-CG 4.43Å; F260-W296 HydrophobicContact CZ-CB 4.22Å; F260-W296 HydrophobicContact CZ-CG 4.4Å
261E96.5Very high96.2Very high155 Ų15572.5 Ų72.572%0.72434%0.336SS*.Hα-helixtrans-62.4-38170.9-70.9173.1167.600111.7E257E257-E261 WeakPolarHBondContact O-CG 3.5Å; E257-E261 PolarHBondContact O-N 3.5Å
262R95.3Very high96.4Very high146 Ų14669.8 Ų69.855%0.55132%0.324SS*.Hα-helixtrans-68.9-39.7174.3-163.5-167.470.873.6-2.8112.5K258 E259 F260K258-R262 PolarHBondContact O-N 2.92Å; E259-R262 VanDerWaalsContact CD-NE 3.33Å; E259-R262 WeakPolarHBondContact O-CB 3.4Å; E259-R262 PolarHBondContact O-N 2.95Å; E259-R262 IonicContact OE1-CZ 3.22Å; E259-R262 IonicContact OE1-NE 2.69Å; E259-R262 PolarHBondContact OE1-NE 3.2Å; E259-R262 IonicContact OE1-NH2 2.67Å; E259-R262 PolarHBondContact OE1-NH2 2.98Å; E259-R262 IonicContact OE2-NE 3.12Å; E259-R262 PolarHBondContact OE2-NE 3.24Å; F260-R262 VanDerWaalsContact C-N 3.3Å
263T94.4Very high96.4Very high38 Ų3876.4 Ų76.423%0.23335%0.348CS..  trans-159.4130.5171.3175.30000112.7E259 F260 Y265 P266E259-T263 PolarHBondContact O-N 3.14Å; F260-T263 WeakPolarHBondContact CA-O 3.34Å; F260-T263 CarbonylContact O-C 3.59Å; F260-T263 PolarHBondContact O-N 3.1Å; T263-Y265 PolarHBondContact O-N 3.07Å; T263-Y265 VanDerWaalsContact OG1-C 3.25Å; T263-Y265 PolarHBondContact OG1-N 3.29Å; T263-Y265 PolarHBondContact OG1-O 3.49Å; T263-P266 HydrophobicContact CG2-CB 4.02Å
264H95.3Very high96.4Very high64 Ų6474.8 Ų74.830%0.29634%0.34SS..SBendtrans-65.9-17.4170.1-61.2155.8000113.2F260 R293 W296F260-H264 AromaticContact CD1-CD2 3.64Å; F260-H264 AromaticContact CE1-CD2 3.19Å; F260-H264 WeakPolarHBondContact CE1-CD2 3.43Å; F260-H264 AromaticContact CE1-NE2 3.45Å; F260-H264 WeakPolarHBondContact CE1-NE2 3.49Å; F260-H264 HydrophobicContact CE2-CB 4.12Å; F260-H264 AromaticContact CE2-CD2 3.72Å; F260-H264 HydrophobicContact CZ-CB 4.28Å; F260-H264 AromaticContact CZ-CD2 3.23Å; F260-H264 WeakPolarHBondContact CZ-CD2 3.39Å; F260-H264 AromaticContact CZ-CG 3.87Å; F260-H264 AromaticContact CZ-NE2 3.81Å; F260-H264 PolarHBondContact O-CD2 3.46Å; F260-H264 VanDerWaalsContact O-CD2 3.29Å; F260-H264 PolarHBondContact O-N 3.27Å; H264-R293 HydrophobicContact CB-CG 4.48Å; H264-R293 VanDerWaalsContact O-CD 3.26Å; H264-R293 WeakPolarHBondContact O-CD 3.24Å; H264-R293 PolarHBondContact O-NH1 3.25Å; H264-W296 AromaticContact CE1-CE2 3.68Å; H264-W296 AromaticContact CE1-CZ2 3.83Å; H264-W296 AromaticContact CE1-NE1 3.72Å; H264-W296 AromaticContact NE2-NE1 3.87Å
265Y96.1Very high96.5Very high160 Ų16070.2 Ų70.263%0.62732%0.32SS*.SBendtrans-134.176.9-177.1-65-89.7000110.8T263T263-Y265 PolarHBondContact O-N 3.07Å; T263-Y265 VanDerWaalsContact OG1-C 3.25Å; T263-Y265 PolarHBondContact OG1-N 3.29Å; T263-Y265 PolarHBondContact OG1-O 3.49Å
266P95.6Very high96.5Very high10 Ų1073.3 Ų73.37%0.06535%0.346CS..  trans-68.5141169.629.9-35.8000110.7T263 A270 R271 F289T263-P266 HydrophobicContact CG2-CB 4.02Å; P266-A270 HydrophobicContact CB-CB 3.94Å; P266-R271 HydrophobicContact CB-CG 3.92Å; P266-R271 HydrophobicContact CG-CG 3.71Å; P266-R271 PolarHBondContact O-NH1 2.74Å; P266-F289 VanDerWaalsContact CD-CE1 3.42Å; P266-F289 HydrophobicContact CG-CD1 3.62Å; P266-F289 HydrophobicContact CG-CD2 4.13Å; P266-F289 HydrophobicContact CG-CE1 3.5Å; P266-F289 VanDerWaalsContact CG-CE1 3.5Å; P266-F289 HydrophobicContact CG-CE2 4.02Å; P266-F289 HydrophobicContact CG-CG 3.95Å; P266-F289 HydrophobicContact CG-CZ 3.73Å
267D96.5Very high96.4Very high82 Ų8281.1 Ų81.144%0.43938%0.38SS..  trans-72.4-174.8175.374.5-55.5000111.7F269 A270 R271D267-F269 WeakPolarHBondContact OD2-CB 3.46Å; D267-F269 WeakPolarHBondContact OD2-CD2 3.45Å; D267-F269 PolarHBondContact OD2-N 3.39Å; D267-F269 VanDerWaalsContact OD2-N 3.09Å; D267-A270 WeakPolarHBondContact OD1-CB 3.17Å; D267-A270 PolarHBondContact OD1-N 2.97Å; D267-A270 VanDerWaalsContact OD1-N 3.13Å; D267-R271 VanDerWaalsContact O-CG 3.31Å; D267-R271 WeakPolarHBondContact O-CG 3.3Å; D267-R271 PolarHBondContact O-N 2.68Å; D267-R271 PolarHBondContact O-NH1 2.66Å
268V95.9Very high96.3Very high72 Ų7278.9 Ų78.944%0.43637%0.37SS..Hα-helixtrans-63.2-50.2-179.8-177.30000110.3A270 R271 E272V268-A270 PolarHBondContact O-N 3.27Å; V268-R271 PolarHBondContact O-N 2.87Å; V268-E272 HydrophobicContact CG1-CG 4.21Å; V268-E272 WeakPolarHBondContact O-CG 3.26Å; V268-E272 PolarHBondContact O-N 3.42Å
269F97.1Very high96.3Very high151 Ų15178.3 Ų78.366%0.66237%0.374SS*.Hα-helixtrans-67.4-35.8-173.9-58.1-67000112.8D267 R271 R273D267-F269 WeakPolarHBondContact OD2-CB 3.46Å; D267-F269 WeakPolarHBondContact OD2-CD2 3.45Å; D267-F269 PolarHBondContact OD2-N 3.39Å; D267-F269 VanDerWaalsContact OD2-N 3.09Å; F269-R271 VanDerWaalsContact C-N 3.34Å; F269-R273 VanDerWaalsContact O-CB 3.29Å; F269-R273 WeakPolarHBondContact O-CB 3.32Å; F269-R273 PolarHBondContact O-N 2.89Å
270A96.4Very high96.2Very high4 Ų477.5 Ų77.53%0.03337%0.371CS..Hα-helixtrans-65.2-36.317200000112.6P266 D267 V268 L274P266-A270 HydrophobicContact CB-CB 3.94Å; D267-A270 WeakPolarHBondContact OD1-CB 3.17Å; D267-A270 PolarHBondContact OD1-N 2.97Å; D267-A270 VanDerWaalsContact OD1-N 3.13Å; V268-A270 PolarHBondContact O-N 3.27Å; A270-L274 WeakPolarHBondContact O-CB 3.41Å; A270-L274 PolarHBondContact O-N 3.02Å
271R97.3Very high96.1Very high35 Ų3581.2 Ų81.213%0.13240%0.396CS..Hα-helixtrans-73.6-36176.8-65.7-172.3-41.5-87.7-4.3112.5P266 D267 V268 F269 L274 A275 E282 I285P266-R271 HydrophobicContact CB-CG 3.92Å; P266-R271 HydrophobicContact CG-CG 3.71Å; P266-R271 PolarHBondContact O-NH1 2.74Å; D267-R271 VanDerWaalsContact O-CG 3.31Å; D267-R271 WeakPolarHBondContact O-CG 3.3Å; D267-R271 PolarHBondContact O-N 2.68Å; D267-R271 PolarHBondContact O-NH1 2.66Å; V268-R271 PolarHBondContact O-N 2.87Å; F269-R271 VanDerWaalsContact C-N 3.34Å; R271-L274 PolarHBondContact O-N 3.22Å; R271-A275 VanDerWaalsContact O-CB 3.28Å; R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.41Å; R271-E282 HydrophobicContact CB-CG 4.07Å; R271-E282 IonicContact CZ-OE1 3.24Å; R271-E282 IonicContact NE-OE1 2.7Å; R271-E282 PolarHBondContact NE-OE1 3.33Å; R271-E282 IonicContact NH2-OE1 3.23Å; R271-E282 PolarHBondContact NH2-OE1 2.99Å; R271-I285 HydrophobicContact CB-CG2 4.21Å; R271-I285 HydrophobicContact CG-CG2 4.1Å
272E97.4Very high96.1Very high93 Ų9376.1 Ų76.144%0.43537%0.372SS..Hα-helixtrans-67.5-44.2173.5-71.4177.6156.200112V268 L274 A275 A276 E282V268-E272 HydrophobicContact CG1-CG 4.21Å; V268-E272 WeakPolarHBondContact O-CG 3.26Å; V268-E272 PolarHBondContact O-N 3.42Å; E272-L274 VanDerWaalsContact C-N 3.28Å; E272-L274 PolarHBondContact O-N 2.99Å; E272-A275 WeakPolarHBondContact O-CB 3.24Å; E272-A275 PolarHBondContact O-N 3.12Å; E272-A276 PolarHBondContact O-N 3.28Å; E272-E282 HydrophobicContact CG-CG 4.09Å
273R96.9Very high96Very high162 Ų16271.6 Ų71.661%0.61137%0.366SS*.Hα-helixtrans-61.9-36.1173.2-175.1179.963.9-140.7-4.7112.1F269 K277F269-R273 VanDerWaalsContact O-CB 3.29Å; F269-R273 WeakPolarHBondContact O-CB 3.32Å; F269-R273 PolarHBondContact O-N 2.89Å; R273-K277 WeakPolarHBondContact O-CB 3.3Å; R273-K277 PolarHBondContact O-N 3.11Å
274L96.4Very high96.1Very high14 Ų1475 Ų757%0.07337%0.374CS..Hα-helixtrans-71.7-39.8174.1-169.864000111.4A255 L256 E259 A270 R271 E272 A276 K277 I278 I285 F289A255-L274 HydrophobicContact CB-CD1 4.32Å; L256-L274 HydrophobicContact CD2-CD2 3.68Å; L256-L274 HydrophobicContact CG-CD2 4.4Å; E259-L274 HydrophobicContact CB-CD2 4.04Å; E259-L274 HydrophobicContact CG-CD2 4.14Å; A270-L274 WeakPolarHBondContact O-CB 3.41Å; A270-L274 PolarHBondContact O-N 3.02Å; R271-L274 PolarHBondContact O-N 3.22Å; E272-L274 VanDerWaalsContact C-N 3.28Å; E272-L274 PolarHBondContact O-N 2.99Å; L274-A276 PolarHBondContact O-N 3.16Å; L274-K277 WeakPolarHBondContact O-CB 3.34Å; L274-K277 PolarHBondContact O-N 2.93Å; L274-I278 HydrophobicContact CD1-CD1 4.25Å; L274-I278 HydrophobicContact CD1-CG2 4.21Å; L274-I278 HydrophobicContact CD2-CD1 4.44Å; L274-I278 HydrophobicContact CG-CD1 3.97Å; L274-I278 WeakPolarHBondContact O-CG1 3.05Å; L274-I278 PolarHBondContact O-N 3.33Å; L274-I278 VanDerWaalsContact O-N 3.14Å; L274-I285 HydrophobicContact CB-CD1 4.04Å; L274-I285 HydrophobicContact CD2-CD1 4.16Å; L274-I285 HydrophobicContact CD2-CG2 4.16Å; L274-I285 HydrophobicContact CG-CD1 3.92Å; L274-F289 HydrophobicContact CD2-CE2 4.24Å
275A97.2Very high96.1Very high14 Ų1471.9 Ų71.912%0.11636%0.36CS..Hα-helixtrans-55.5-49.3176.500000112.1R271 E272 K277 D279 L280 E282 I285R271-A275 VanDerWaalsContact O-CB 3.28Å; R271-A275 WeakPolarHBondContact O-CB 3.38Å; R271-A275 PolarHBondContact O-N 3.41Å; E272-A275 WeakPolarHBondContact O-CB 3.24Å; E272-A275 PolarHBondContact O-N 3.12Å; A275-K277 VanDerWaalsContact C-N 3.26Å; A275-K277 PolarHBondContact O-N 3.4Å; A275-D279 PolarHBondContact O-N 2.89Å; A275-L280 WeakPolarHBondContact CA-O 3.14Å; A275-L280 WeakPolarHBondContact CB-O 3.48Å; A275-L280 PolarHBondContact O-N 3Å; A275-E282 HydrophobicContact CB-CB 4.4Å; A275-I285 VanDerWaalsContact CA-CD1 3.49Å; A275-I285 HydrophobicContact CB-CD1 3.96Å
276A96.3Very high96.1Very high85 Ų8568.9 Ų68.970%0.70235%0.352SS*.Hα-helixtrans-70.1-16.7175.600000114.2E272 L274E272-A276 PolarHBondContact O-N 3.28Å; L274-A276 PolarHBondContact O-N 3.16Å
277K95.6Very high96.1Very high164 Ų16472.1 Ų72.171%0.71337%0.371SS*.Hα-helixtrans-85.6-29.6177.7-178.1176.3177.6-174.50113.1R273 L274 A275R273-K277 WeakPolarHBondContact O-CB 3.3Å; R273-K277 PolarHBondContact O-N 3.11Å; L274-K277 WeakPolarHBondContact O-CB 3.34Å; L274-K277 PolarHBondContact O-N 2.93Å; A275-K277 VanDerWaalsContact C-N 3.26Å; A275-K277 PolarHBondContact O-N 3.4Å
278I95.8Very high96.1Very high15 Ų1569.5 Ų69.58%0.07736%0.355CS..Hα-helixtrans-12615-16975.3-176000113.7Q252 A255 L256 L274 L280 I285Q252-I278 HydrophobicContact CB-CD1 4.42Å; Q252-I278 HydrophobicContact CG-CB 3.97Å; Q252-I278 HydrophobicContact CG-CD1 4.37Å; Q252-I278 HydrophobicContact CG-CG1 4.19Å; Q252-I278 WeakPolarHBondContact CG-O 3.49Å; Q252-I278 PolarHBondContact NE2-O 3.5Å; A255-I278 HydrophobicContact CB-CD1 4.46Å; A255-I278 HydrophobicContact CB-CG2 3.71Å; L256-I278 HydrophobicContact CD1-CD1 4.19Å; L256-I278 HydrophobicContact CD2-CD1 4.22Å; L256-I278 HydrophobicContact CG-CD1 3.83Å; L274-I278 HydrophobicContact CD1-CD1 4.25Å; L274-I278 HydrophobicContact CD1-CG2 4.21Å; L274-I278 HydrophobicContact CD2-CD1 4.44Å; L274-I278 HydrophobicContact CG-CD1 3.97Å; L274-I278 WeakPolarHBondContact O-CG1 3.05Å; L274-I278 PolarHBondContact O-N 3.33Å; L274-I278 VanDerWaalsContact O-N 3.14Å; I278-L280 HydrophobicContact CD1-CD1 3.77Å; I278-L280 HydrophobicContact CG1-CB 4.2Å; I278-L280 HydrophobicContact CG1-CD1 3.88Å; I278-L280 HydrophobicContact CG1-CG 4.08Å; I278-L280 PolarHBondContact O-N 3.39Å; I278-I285 HydrophobicContact CD1-CD1 4.15Å; I278-I285 HydrophobicContact CG1-CD1 4.4Å
279D95.9Very high96.1Very high144 Ų14466.1 Ų66.177%0.7734%0.335SS*.THydrogen-bonded Turntrans49.152.7-179.3-68.1-37.6000114A275A275-D279 PolarHBondContact O-N 2.89Å
280L94.9Very high96Very high13 Ų1361.4 Ų61.47%0.06832%0.32CS..  trans-131133.9174.8-70.5176.4000110.9T246 F248 Q252 L256 A275 I278 E282 I285T246-L280 HydrophobicContact CG2-CD2 4.1Å; F248-L280 HydrophobicContact CD1-CD1 3.55Å; F248-L280 HydrophobicContact CD1-CD2 4.05Å; F248-L280 HydrophobicContact CD1-CG 4.49Å; F248-L280 HydrophobicContact CE1-CD1 3.77Å; F248-L280 HydrophobicContact CE1-CD2 4.21Å; Q252-L280 HydrophobicContact CB-CD1 4.09Å; Q252-L280 HydrophobicContact CG-CD1 3.89Å; Q252-L280 HydrophobicContact CG-CG 4.2Å; L256-L280 HydrophobicContact CD1-CD1 4.18Å; A275-L280 WeakPolarHBondContact CA-O 3.14Å; A275-L280 WeakPolarHBondContact CB-O 3.48Å; A275-L280 PolarHBondContact O-N 3Å; I278-L280 HydrophobicContact CD1-CD1 3.77Å; I278-L280 HydrophobicContact CG1-CB 4.2Å; I278-L280 HydrophobicContact CG1-CD1 3.88Å; I278-L280 HydrophobicContact CG1-CG 4.08Å; I278-L280 PolarHBondContact O-N 3.39Å; L280-E282 PolarHBondContact O-N 3.21Å; L280-I285 HydrophobicContact CB-CD1 4.33Å; L280-I285 HydrophobicContact CB-CG1 4.17Å
281P95.4Very high96Very high85 Ų8565.5 Ų65.555%0.55234%0.342SS*.  trans-57.2139.5173.7-23.732.9000112A283 R284 I285P281-A283 PolarHBondContact O-N 3.45Å; P281-A283 VanDerWaalsContact O-N 3.1Å; P281-R284 HydrophobicContact CB-CG 4.25Å; P281-R284 HydrophobicContact CG-CG 4.31Å; P281-R284 WeakPolarHBondContact O-CA 3.27Å; P281-R284 WeakPolarHBondContact O-CB 3.45Å; P281-R284 PolarHBondContact O-N 3.25Å; P281-I285 PolarHBondContact O-N 2.85Å
282E95.4Very high95.9Very high48 Ų4866.2 Ų66.222%0.22435%0.345CS..Hα-helixtrans-46.9-45179.7-175.8-74.1154.800111.9R271 E272 A275 L280 R284 I285 Q286R271-E282 HydrophobicContact CB-CG 4.07Å; R271-E282 IonicContact CZ-OE1 3.24Å; R271-E282 IonicContact NE-OE1 2.7Å; R271-E282 PolarHBondContact NE-OE1 3.33Å; R271-E282 IonicContact NH2-OE1 3.23Å; R271-E282 PolarHBondContact NH2-OE1 2.99Å; E272-E282 HydrophobicContact CG-CG 4.09Å; A275-E282 HydrophobicContact CB-CB 4.4Å; L280-E282 PolarHBondContact O-N 3.21Å; E282-R284 PolarHBondContact O-N 3.19Å; E282-I285 CarbonylContact O-C 3.55Å; E282-I285 WeakPolarHBondContact O-CA 3.26Å; E282-I285 WeakPolarHBondContact O-CB 3.39Å; E282-I285 PolarHBondContact O-N 3.18Å; E282-Q286 PolarHBondContact O-N 3.23Å
283A94.3Very high95.8Very high51 Ų5164 Ų6442%0.42133%0.332SS..Hα-helixtrans-61.6-28.1179.900000113.4P281 V287P281-A283 PolarHBondContact O-N 3.45Å; P281-A283 VanDerWaalsContact O-N 3.1Å; A283-V287 WeakPolarHBondContact O-CB 3.4Å; A283-V287 VanDerWaalsContact O-CG2 3.23Å; A283-V287 WeakPolarHBondContact O-CG2 3.37Å; A283-V287 PolarHBondContact O-N 3.28Å
284R95.3Very high95.5Very high108 Ų10856.3 Ų56.341%0.40830%0.304SS..Hα-helixtrans-73.6-36.2173.4-60.5-60178.5146.9-8.4111.1T246 P281 E282 W288T246-R284 WeakPolarHBondContact OG1-CD 3.26Å; T246-R284 PolarHBondContact OG1-NH1 2.97Å; P281-R284 HydrophobicContact CB-CG 4.25Å; P281-R284 HydrophobicContact CG-CG 4.31Å; P281-R284 WeakPolarHBondContact O-CA 3.27Å; P281-R284 WeakPolarHBondContact O-CB 3.45Å; P281-R284 PolarHBondContact O-N 3.25Å; E282-R284 PolarHBondContact O-N 3.19Å; R284-W288 WeakPolarHBondContact O-CB 3.46Å; R284-W288 PolarHBondContact O-N 3.07Å
285I95.9Very high95.2Very high0 Ų059.5 Ų59.50%032%0.317CS..Hα-helixtrans-67.3-46.8172.4-61.3-170.8000110.4L256 R271 L274 A275 I278 L280 P281 E282 V287 W288 F289L256-I285 HydrophobicContact CD2-CB 4.33Å; L256-I285 HydrophobicContact CD2-CD1 4.41Å; L256-I285 HydrophobicContact CD2-CG1 4.09Å; L256-I285 HydrophobicContact CD2-CG2 3.82Å; R271-I285 HydrophobicContact CB-CG2 4.21Å; R271-I285 HydrophobicContact CG-CG2 4.1Å; L274-I285 HydrophobicContact CB-CD1 4.04Å; L274-I285 HydrophobicContact CD2-CD1 4.16Å; L274-I285 HydrophobicContact CD2-CG2 4.16Å; L274-I285 HydrophobicContact CG-CD1 3.92Å; A275-I285 VanDerWaalsContact CA-CD1 3.49Å; A275-I285 HydrophobicContact CB-CD1 3.96Å; I278-I285 HydrophobicContact CD1-CD1 4.15Å; I278-I285 HydrophobicContact CG1-CD1 4.4Å; L280-I285 HydrophobicContact CB-CD1 4.33Å; L280-I285 HydrophobicContact CB-CG1 4.17Å; P281-I285 PolarHBondContact O-N 2.85Å; E282-I285 CarbonylContact O-C 3.55Å; E282-I285 WeakPolarHBondContact O-CA 3.26Å; E282-I285 WeakPolarHBondContact O-CB 3.39Å; E282-I285 PolarHBondContact O-N 3.18Å; I285-V287 VanDerWaalsContact C-N 3.32Å; I285-V287 PolarHBondContact O-N 3.44Å; I285-W288 WeakPolarHBondContact O-CB 3.29Å; I285-W288 PolarHBondContact O-N 2.94Å; I285-W288 VanDerWaalsContact O-N 3.1Å; I285-F289 HydrophobicContact CG2-CD2 3.69Å; I285-F289 HydrophobicContact CG2-CE2 3.82Å; I285-F289 WeakPolarHBondContact O-CD2 3.05Å; I285-F289 PolarHBondContact O-N 3.05Å
286Q96.1Very high95Very high96 Ų9664 Ų6445%0.44933%0.331SS..Hα-helixtrans-54.5-46.7174.5-167-157.640.100111.8E282 S290E282-Q286 PolarHBondContact O-N 3.23Å; Q286-S290 WeakPolarHBondContact O-CB 3.4Å; Q286-S290 PolarHBondContact O-N 3.28Å
287V95.5Very high94.5Very high79 Ų7964.4 Ų64.448%0.47931%0.314SS..Hα-helixtrans-66.6-39.6175.3168.10000111.9A283 I285 S290 N291A283-V287 WeakPolarHBondContact O-CB 3.4Å; A283-V287 VanDerWaalsContact O-CG2 3.23Å; A283-V287 WeakPolarHBondContact O-CG2 3.37Å; A283-V287 PolarHBondContact O-N 3.28Å; I285-V287 VanDerWaalsContact C-N 3.32Å; I285-V287 PolarHBondContact O-N 3.44Å; V287-S290 PolarHBondContact O-N 2.67Å; V287-N291 WeakPolarHBondContact CG1-ND2 3.27Å; V287-N291 PolarHBondContact O-N 3.48Å; V287-N291 PolarHBondContact O-ND2 2.98Å
288W96.3Very high94Very high26 Ų2661.4 Ų61.410%0.09830%0.298CS..Hα-helixtrans-61-49.9174.9-174.7104.4000111.1F248 L256 E257 F260 R284 I285 S290 N291 R292F248-W288 AromaticContact CE2-CD1 3.7Å; F248-W288 HydrophobicContact CZ-CB 4.41Å; F248-W288 AromaticContact CZ-CD1 3.96Å; L256-W288 HydrophobicContact CB-CD2 3.91Å; L256-W288 HydrophobicContact CB-CE3 3.95Å; L256-W288 HydrophobicContact CB-CH2 3.77Å; L256-W288 HydrophobicContact CB-CZ2 3.69Å; L256-W288 HydrophobicContact CB-CZ3 3.89Å; L256-W288 HydrophobicContact CD1-CD2 4.02Å; L256-W288 HydrophobicContact CD1-CG 3.9Å; L256-W288 HydrophobicContact CD2-CD2 4.12Å; L256-W288 HydrophobicContact CD2-CE3 4.01Å; L256-W288 HydrophobicContact CD2-CG 4.37Å; L256-W288 HydrophobicContact CG-CD2 4.25Å; L256-W288 HydrophobicContact CG-CE3 4.44Å; L256-W288 WeakPolarHBondContact O-CH2 3.43Å; L256-W288 WeakPolarHBondContact O-CZ3 3.49Å; E257-W288 HydrophobicContact CG-CH2 3.76Å; E257-W288 HydrophobicContact CG-CZ2 3.65Å; F260-W288 HydrophobicContact CB-CH2 4.16Å; F260-W288 HydrophobicContact CB-CZ3 4.04Å; F260-W288 HydrophobicContact CD2-CZ3 4.24Å; F260-W288 HydrophobicContact CG-CZ3 4.38Å; R284-W288 WeakPolarHBondContact O-CB 3.46Å; R284-W288 PolarHBondContact O-N 3.07Å; I285-W288 WeakPolarHBondContact O-CB 3.29Å; I285-W288 PolarHBondContact O-N 2.94Å; I285-W288 VanDerWaalsContact O-N 3.1Å; W288-S290 VanDerWaalsContact C-N 3.32Å; W288-S290 PolarHBondContact O-N 2.82Å; W288-N291 CarbonylContact O-C 3.59Å; W288-N291 PolarHBondContact O-N 3.2Å; W288-N291 VanDerWaalsContact O-N 3.13Å; W288-R292 HydrophobicContact CD2-CB 4.48Å; W288-R292 HydrophobicContact CE3-CB 4.01Å; W288-R292 HydrophobicContact CH2-CB 3.94Å; W288-R292 HydrophobicContact CH2-CG 3.63Å; W288-R292 HydrophobicContact CZ2-CB 4.44Å; W288-R292 HydrophobicContact CZ2-CG 4.31Å; W288-R292 HydrophobicContact CZ3-CB 3.71Å; W288-R292 HydrophobicContact CZ3-CG 3.79Å; W288-R292 WeakPolarHBondContact O-CB 3.43Å; W288-R292 PolarHBondContact O-N 2.7Å
289F97.3Very high93.4Very high1 Ų165.1 Ų65.10%0.00432%0.315CS..Hα-helixtrans-61.8-38.6178.6-92.4-91.2000112.3L256 E259 F260 P266 L274 I285 R292 R293L256-F289 HydrophobicContact CD2-CD2 4.3Å; L256-F289 HydrophobicContact CD2-CE2 3.86Å; E259-F289 HydrophobicContact CB-CZ 4.12Å; E259-F289 HydrophobicContact CG-CZ 4.06Å; F260-F289 HydrophobicContact CB-CE1 3.91Å; F260-F289 HydrophobicContact CB-CZ 4.27Å; F260-F289 AromaticContact CD2-CD1 3.74Å; F260-F289 HydrophobicContact CD2-CD1 3.74Å; F260-F289 AromaticContact CD2-CE1 3.72Å; F260-F289 HydrophobicContact CD2-CE1 3.72Å; F260-F289 HydrophobicContact CE2-CD1 4.48Å; F260-F289 HydrophobicContact CG-CE1 4.31Å; P266-F289 VanDerWaalsContact CD-CE1 3.42Å; P266-F289 HydrophobicContact CG-CD1 3.62Å; P266-F289 HydrophobicContact CG-CD2 4.13Å; P266-F289 HydrophobicContact CG-CE1 3.5Å; P266-F289 VanDerWaalsContact CG-CE1 3.5Å; P266-F289 HydrophobicContact CG-CE2 4.02Å; P266-F289 HydrophobicContact CG-CG 3.95Å; P266-F289 HydrophobicContact CG-CZ 3.73Å; L274-F289 HydrophobicContact CD2-CE2 4.24Å; I285-F289 HydrophobicContact CG2-CD2 3.69Å; I285-F289 HydrophobicContact CG2-CE2 3.82Å; I285-F289 WeakPolarHBondContact O-CD2 3.05Å; I285-F289 PolarHBondContact O-N 3.05Å; F289-R292 PolarHBondContact O-N 2.62Å; F289-R293 WeakPolarHBondContact O-CB 3.47Å; F289-R293 WeakPolarHBondContact O-CG 3.32Å; F289-R293 PolarHBondContact O-N 3.15Å
290S95Very high92.6Very high52 Ų5260.6 Ų60.636%0.36429%0.29SS..Hα-helixtrans-60.8-46.4173.4-167.90000111.9Q286 V287 W288 A294Q286-S290 WeakPolarHBondContact O-CB 3.4Å; Q286-S290 PolarHBondContact O-N 3.28Å; V287-S290 PolarHBondContact O-N 2.67Å; W288-S290 VanDerWaalsContact C-N 3.32Å; W288-S290 PolarHBondContact O-N 2.82Å; S290-A294 WeakPolarHBondContact O-CB 3.23Å; S290-A294 PolarHBondContact O-N 3.07Å; S290-A294 VanDerWaalsContact O-N 3.08Å
291N95.3Very high91.8Very high90 Ų9066.2 Ų66.248%0.48131%0.314SS..Hα-helixtrans-66.2-39.3176.1-74.3-55.2000112.8V287 W288 A294 K295V287-N291 WeakPolarHBondContact CG1-ND2 3.27Å; V287-N291 PolarHBondContact O-N 3.48Å; V287-N291 PolarHBondContact O-ND2 2.98Å; W288-N291 CarbonylContact O-C 3.59Å; W288-N291 PolarHBondContact O-N 3.2Å; W288-N291 VanDerWaalsContact O-N 3.13Å; N291-A294 PolarHBondContact O-N 3.28Å; N291-K295 PolarHBondContact O-N 2.78Å
292R95.8Very high90.9Very high50 Ų5067.6 Ų67.619%0.18932%0.316CS..Hα-helixtrans-65.2-46.3177.7-17367.7174.5-159.3-9.7111.4E257 F260 W288 F289 A294 K295 W296E257-R292 VanDerWaalsContact CD-CZ 3.42Å; E257-R292 VanDerWaalsContact CD-NH1 3.26Å; E257-R292 IonicContact OE1-CZ 2.65Å; E257-R292 VanDerWaalsContact OE1-CZ 3.23Å; E257-R292 IonicContact OE1-NH1 2.94Å; E257-R292 PolarHBondContact OE1-NH1 2.85Å; E257-R292 IonicContact OE1-NH2 2.71Å; E257-R292 PolarHBondContact OE1-NH2 3.05Å; E257-R292 IonicContact OE2-CZ 2.7Å; E257-R292 IonicContact OE2-NH1 3.18Å; E257-R292 IonicContact OE2-NH2 2.92Å; E257-R292 PolarHBondContact OE2-NH2 2.89Å; F260-R292 HydrophobicContact CD1-CG 3.82Å; F260-R292 HydrophobicContact CD2-CB 4.05Å; F260-R292 HydrophobicContact CD2-CG 3.49Å; F260-R292 VanDerWaalsContact CD2-CG 3.49Å; F260-R292 HydrophobicContact CE1-CG 3.74Å; F260-R292 HydrophobicContact CE2-CB 3.88Å; F260-R292 HydrophobicContact CE2-CG 3.42Å; F260-R292 VanDerWaalsContact CE2-CG 3.42Å; F260-R292 HydrophobicContact CG-CG 3.71Å; F260-R292 HydrophobicContact CZ-CB 4.36Å; F260-R292 HydrophobicContact CZ-CG 3.56Å; W288-R292 HydrophobicContact CD2-CB 4.48Å; W288-R292 HydrophobicContact CE3-CB 4.01Å; W288-R292 HydrophobicContact CH2-CB 3.94Å; W288-R292 HydrophobicContact CH2-CG 3.63Å; W288-R292 HydrophobicContact CZ2-CB 4.44Å; W288-R292 HydrophobicContact CZ2-CG 4.31Å; W288-R292 HydrophobicContact CZ3-CB 3.71Å; W288-R292 HydrophobicContact CZ3-CG 3.79Å; W288-R292 WeakPolarHBondContact O-CB 3.43Å; W288-R292 PolarHBondContact O-N 2.7Å; F289-R292 PolarHBondContact O-N 2.62Å; R292-A294 VanDerWaalsContact C-N 3.27Å; R292-A294 PolarHBondContact O-N 2.85Å; R292-K295 WeakPolarHBondContact O-CB 3.28Å; R292-K295 PolarHBondContact O-N 2.88Å; R292-K295 VanDerWaalsContact O-N 3.11Å; R292-W296 WeakPolarHBondContact O-CB 3.33Å; R292-W296 PolarHBondContact O-N 3.05Å
293R95.1Very high90.1Very high46 Ų4672 Ų7217%0.17433%0.331CS..Hα-helixtrans-57.7-37.7171.1-74.2-168.6-67.8-91.53.1112.6F260 H264 F289 R297F260-R293 HydrophobicContact CE2-CG 3.87Å; F260-R293 HydrophobicContact CZ-CG 4.43Å; H264-R293 HydrophobicContact CB-CG 4.48Å; H264-R293 VanDerWaalsContact O-CD 3.26Å; H264-R293 WeakPolarHBondContact O-CD 3.24Å; H264-R293 PolarHBondContact O-NH1 3.25Å; F289-R293 WeakPolarHBondContact O-CB 3.47Å; F289-R293 WeakPolarHBondContact O-CG 3.32Å; F289-R293 PolarHBondContact O-N 3.15Å; R293-R297 WeakPolarHBondContact O-CB 3.3Å; R293-R297 WeakPolarHBondContact O-CG 3.43Å; R293-R297 PolarHBondContact O-N 2.99Å; R293-R297 PolarHBondContact O-NE 3.44Å
294A90.2Very high89.2Confident2 Ų273 Ų732%0.01733%0.329CS..Hα-helixtrans-72-29.317700000113.3S290 N291 R292 R298S290-A294 WeakPolarHBondContact O-CB 3.23Å; S290-A294 PolarHBondContact O-N 3.07Å; S290-A294 VanDerWaalsContact O-N 3.08Å; N291-A294 PolarHBondContact O-N 3.28Å; R292-A294 VanDerWaalsContact C-N 3.27Å; R292-A294 PolarHBondContact O-N 2.85Å; A294-R298 PolarHBondContact O-NE 2.73Å; A294-R298 PolarHBondContact O-NH2 3.34Å
295K91.2Very high88Confident80 Ų8073.9 Ų73.935%0.34834%0.338SS..Hα-helixtrans-69.5-53.3170.5-177.1179.7173.7-77.10110.5N291 R292 R297 R298 E299N291-K295 PolarHBondContact O-N 2.78Å; R292-K295 WeakPolarHBondContact O-CB 3.28Å; R292-K295 PolarHBondContact O-N 2.88Å; R292-K295 VanDerWaalsContact O-N 3.11Å; K295-R297 VanDerWaalsContact C-N 3.34Å; K295-R297 PolarHBondContact O-N 3.29Å; K295-R298 WeakPolarHBondContact O-CB 3.43Å; K295-R298 PolarHBondContact O-N 3.27Å; K295-E299 WeakPolarHBondContact CE-OE1 3.43Å; K295-E299 HydrophobicContact CG-CG 4.45Å; K295-E299 IonicContact NZ-OE1 2.82Å; K295-E299 PolarHBondContact NZ-OE1 3.32Å; K295-E299 IonicContact NZ-OE2 2.67Å; K295-E299 PolarHBondContact NZ-OE2 2.93Å; K295-E299 WeakPolarHBondContact O-CG 3.47Å; K295-E299 PolarHBondContact O-N 2.77Å
296W91.3Very high86.8Confident108 Ų10883.2 Ų83.241%0.40937%0.373SS..Hα-helixtrans-53.2-46.2178.2-174.891.9000112.6F260 H264 R292 R298 E299 E300F260-W296 HydrophobicContact CZ-CB 4.22Å; F260-W296 HydrophobicContact CZ-CG 4.4Å; H264-W296 AromaticContact CE1-CE2 3.68Å; H264-W296 AromaticContact CE1-CZ2 3.83Å; H264-W296 AromaticContact CE1-NE1 3.72Å; H264-W296 AromaticContact NE2-NE1 3.87Å; R292-W296 WeakPolarHBondContact O-CB 3.33Å; R292-W296 PolarHBondContact O-N 3.05Å; W296-R298 VanDerWaalsContact C-N 3.27Å; W296-R298 PolarHBondContact O-N 3.44Å; W296-E299 PolarHBondContact O-N 3.28Å; W296-E300 PolarHBondContact O-N 3.46Å
297R87.8Confident85.4Confident94 Ų9486.4 Ų86.436%0.35538%0.381SS..Hα-helixtrans-64.4-23.1176.2-79.5-174-78.6111.2-5.9114.9R293 K295 K301R293-R297 WeakPolarHBondContact O-CB 3.3Å; R293-R297 WeakPolarHBondContact O-CG 3.43Å; R293-R297 PolarHBondContact O-N 2.99Å; R293-R297 PolarHBondContact O-NE 3.44Å; K295-R297 VanDerWaalsContact C-N 3.34Å; K295-R297 PolarHBondContact O-N 3.29Å; R297-K301 WeakPolarHBondContact O-CG 3.17Å
298R84.3Confident83.7Confident101 Ų10189.6 Ų89.638%0.38139%0.39SS..Hα-helixtrans-83.8-38.9172.8-86.4-178.9-87.899.4-0.5111.7W131 A294 K295 W296 K301 L302W131-R298 HydrophobicContact CD2-CG 4.41Å; W131-R298 HydrophobicContact CE3-CG 4.34Å; W131-R298 HydrophobicContact CH2-CG 3.59Å; W131-R298 HydrophobicContact CZ2-CG 3.66Å; W131-R298 HydrophobicContact CZ3-CG 3.95Å; A294-R298 PolarHBondContact O-NE 2.73Å; A294-R298 PolarHBondContact O-NH2 3.34Å; K295-R298 WeakPolarHBondContact O-CB 3.43Å; K295-R298 PolarHBondContact O-N 3.27Å; W296-R298 VanDerWaalsContact C-N 3.27Å; W296-R298 PolarHBondContact O-N 3.44Å; R298-K301 PolarHBondContact O-N 3.28Å; R298-L302 PolarHBondContact O-N 2.79Å; R298-L302 VanDerWaalsContact O-N 3.12Å
299E83.9Confident81.9Confident93 Ų9391.8 Ų91.844%0.43541%0.414SS..Hα-helixtrans-63.9-41.6177.4-69.2172.7152.600111.1K295 W296 L302 R303K295-E299 WeakPolarHBondContact CE-OE1 3.43Å; K295-E299 HydrophobicContact CG-CG 4.45Å; K295-E299 IonicContact NZ-OE1 2.82Å; K295-E299 PolarHBondContact NZ-OE1 3.32Å; K295-E299 IonicContact NZ-OE2 2.67Å; K295-E299 PolarHBondContact NZ-OE2 2.93Å; K295-E299 WeakPolarHBondContact O-CG 3.47Å; K295-E299 PolarHBondContact O-N 2.77Å; W296-E299 PolarHBondContact O-N 3.28Å; E299-L302 PolarHBondContact O-N 2.86Å; E299-R303 WeakPolarHBondContact O-CB 3.48Å; E299-R303 PolarHBondContact O-N 3.26Å
300E78.8Confident79.8Confident49 Ų4997.7 Ų97.723%0.22945%0.446CS..Hα-helixtrans-70-35.9177.9-168.668.1153.900113.4W296 L302 R303 N304W296-E300 PolarHBondContact O-N 3.46Å; E300-L302 PolarHBondContact O-N 3.35Å; E300-R303 VanDerWaalsContact CD-NH2 3.33Å; E300-R303 PolarHBondContact O-N 3.11Å; E300-R303 IonicContact OE1-NH2 2.66Å; E300-R303 PolarHBondContact OE1-NH2 3.45Å; E300-R303 IonicContact OE2-CZ 2.66Å; E300-R303 IonicContact OE2-NE 3.8Å; E300-R303 PolarHBondContact OE2-NE 2.87Å; E300-R303 IonicContact OE2-NH2 2.75Å; E300-R303 PolarHBondContact OE2-NH2 2.83Å; E300-N304 WeakPolarHBondContact O-CB 3.38Å; E300-N304 PolarHBondContact O-N 3.02Å
301K77.9Confident77.7Confident131 Ų131102 Ų10257%0.5747%0.465SS*.Hα-helixtrans-59-46.7171-80.7-175.6174.1-1670111.5R297 R298 N304 Q305R297-K301 WeakPolarHBondContact O-CG 3.17Å; R298-K301 PolarHBondContact O-N 3.28Å; K301-N304 PolarHBondContact O-N 3.1Å; K301-Q305 WeakPolarHBondContact O-CB 3.1Å; K301-Q305 PolarHBondContact O-N 2.86Å
302L76.3Confident75.4Confident115 Ų115102 Ų10260%0.60247%0.471SS*.Hα-helixtrans-66.5-38.3178.5-171.467000111.9R298 E299 E300 Q305 R306R298-L302 PolarHBondContact O-N 2.79Å; R298-L302 VanDerWaalsContact O-N 3.12Å; E299-L302 PolarHBondContact O-N 2.86Å; E300-L302 PolarHBondContact O-N 3.35Å; L302-Q305 PolarHBondContact O-N 3.4Å; L302-R306 PolarHBondContact O-N 3.07Å
303R77.9Confident72.9Confident141 Ų141104.9 Ų104.953%0.53250%0.499SS..Hα-helixtrans-66.2-39.1177.2-164.4162.369.1155.96111.9E299 E300 R306 R307E299-R303 WeakPolarHBondContact O-CB 3.48Å; E299-R303 PolarHBondContact O-N 3.26Å; E300-R303 VanDerWaalsContact CD-NH2 3.33Å; E300-R303 PolarHBondContact O-N 3.11Å; E300-R303 IonicContact OE1-NH2 2.66Å; E300-R303 PolarHBondContact OE1-NH2 3.45Å; E300-R303 IonicContact OE2-CZ 2.66Å; E300-R303 IonicContact OE2-NE 3.8Å; E300-R303 PolarHBondContact OE2-NE 2.87Å; E300-R303 IonicContact OE2-NH2 2.75Å; E300-R303 PolarHBondContact OE2-NH2 2.83Å; R303-R306 PolarHBondContact O-N 3.21Å; R303-R307 WeakPolarHBondContact O-CG 3.41Å; R303-R307 PolarHBondContact O-N 3.46Å
304N75.1Confident70.5Confident72 Ų72108.1 Ų108.139%0.38553%0.529SS..Hα-helixtrans-73.6-37.1174.8-75.3-9000112.9E300 K301 R306 R307 Q308E300-N304 WeakPolarHBondContact O-CB 3.38Å; E300-N304 PolarHBondContact O-N 3.02Å; K301-N304 PolarHBondContact O-N 3.1Å; N304-R306 VanDerWaalsContact C-N 3.32Å; N304-R306 PolarHBondContact O-N 2.82Å; N304-R307 PolarHBondContact O-N 2.85Å; N304-Q308 PolarHBondContact O-N 2.94Å
305Q71.1Confident68.2Low126 Ų126116.3 Ų116.359%0.58957%0.566SS**Hα-helixtrans-59.1-43.7170.6-175.8178.955.300111.2K301 L302 R307 Q308 A309K301-Q305 WeakPolarHBondContact O-CB 3.1Å; K301-Q305 PolarHBondContact O-N 2.86Å; L302-Q305 PolarHBondContact O-N 3.4Å; Q305-R307 PolarHBondContact O-N 2.71Å; Q305-Q308 PolarHBondContact O-N 2.88Å; Q305-A309 PolarHBondContact O-N 3.14Å
306R70.4Confident66.3Low195 Ų195119.4 Ų119.474%0.73659%0.585SS**Hα-helixtrans-63.7-39.7174.7-163.3178.8-169.6-160.22.2112.1L302 R303 N304 A309 N310L302-R306 PolarHBondContact O-N 3.07Å; R303-R306 PolarHBondContact O-N 3.21Å; N304-R306 VanDerWaalsContact C-N 3.32Å; N304-R306 PolarHBondContact O-N 2.82Å; R306-A309 PolarHBondContact O-N 3.45Å; R306-N310 WeakPolarHBondContact O-CB 3.29Å; R306-N310 PolarHBondContact O-N 3.05Å
307R67.9Low64.2Low164 Ų164119.3 Ų119.362%0.61960%0.599SS**Hα-helixtrans-65.1-38.8175.3-79.5176.5163.1-179.4-7.9113.1R303 N304 Q305 N310 N311R303-R307 WeakPolarHBondContact O-CG 3.41Å; R303-R307 PolarHBondContact O-N 3.46Å; N304-R307 PolarHBondContact O-N 2.85Å; Q305-R307 PolarHBondContact O-N 2.71Å; R307-N310 PolarHBondContact O-N 3.33Å; R307-N311 PolarHBondContact O-N 3.08Å
308Q59.7Low62.1Low145 Ų145122.1 Ų122.168%0.67862%0.619SS**Hα-helixtrans-64.5-46.3174.4-75177.3-18.800111.4N304 Q305 N310 N311 S312N304-Q308 PolarHBondContact O-N 2.94Å; Q305-Q308 PolarHBondContact O-N 2.88Å; Q308-N310 PolarHBondContact O-N 3.36Å; Q308-N311 PolarHBondContact O-N 3.02Å; Q308-N311 VanDerWaalsContact O-N 3.08Å; Q308-S312 PolarHBondContact O-N 3.43Å; Q308-S312 PolarHBondContact O-OG 3.48Å
309A58.1Low59.7Low72 Ų72123 Ų12360%0.59564%0.641SS**Hα-helixtrans-57.6-36.2172.400000112.8Q305 R306 N311 S312Q305-A309 PolarHBondContact O-N 3.14Å; R306-A309 PolarHBondContact O-N 3.45Å; A309-N311 VanDerWaalsContact C-N 3.27Å; A309-N311 PolarHBondContact O-N 2.88Å; A309-S312 PolarHBondContact O-N 3.41Å
310N53.8Low57.6Low126 Ų126124.4 Ų124.467%0.67466%0.661SS**THydrogen-bonded Turntrans-76.5-9.1179.1-136.1105.5000114.5R306 R307 Q308R306-N310 WeakPolarHBondContact O-CB 3.29Å; R306-N310 PolarHBondContact O-N 3.05Å; R307-N310 PolarHBondContact O-N 3.33Å; Q308-N310 PolarHBondContact O-N 3.36Å
311N50.3Low55.6Low143 Ų143127.9 Ų127.977%0.76569%0.691SS**THydrogen-bonded Turntrans-99.1-1.2173.2-153.552.6000112.4R307 Q308 A309R307-N311 PolarHBondContact O-N 3.08Å; Q308-N311 PolarHBondContact O-N 3.02Å; Q308-N311 VanDerWaalsContact O-N 3.08Å; A309-N311 VanDerWaalsContact C-N 3.27Å; A309-N311 PolarHBondContact O-N 2.88Å
312S47.5Very low53.6Low89 Ų89130.7 Ų130.762%0.62270%0.703SS**  trans-98.945.3175-58.10000111.2Q308 A309 S314Q308-S312 PolarHBondContact O-N 3.43Å; Q308-S312 PolarHBondContact O-OG 3.48Å; A309-S312 PolarHBondContact O-N 3.41Å; S312-S314 PolarHBondContact O-N 3.45Å
313S43.3Very low51.7Low110 Ų110131.1 Ų131.177%0.76972%0.716SS**  trans-79.757.9-169.461.50000113.7
314S44.6Very low49.5Very low115 Ų115130.3 Ų130.380%0.80473%0.727SS**SBendtrans-156.149.6174.8620000113.9S312S312-S314 PolarHBondContact O-N 3.45Å
315H41.7Very low47.5Very low173 Ų173131.2 Ų131.280%0.80174%0.739SS**  trans175.6117.7133-159.7-96.4000111.5
316I51.5Low45.8Very low145 Ų145131 Ų13174%0.74475%0.746SS**  trans-146.3146163.1-4.8177.3000108.6
317P47.2Very low44.1Very low107 Ų107132.4 Ų132.470%0.69575%0.753SS**  -121.7130.491.9-1.122.2000112.5
318I41.8Very low42.4Very low153 Ų153134.1 Ų134.179%0.78577%0.768SS**  67.697.791-60.4167000113.4
319S35.4Very low41.1Very low120 Ų120131.5 Ų131.584%0.83977%0.771SS**  trans-163.795.8139.6-171.90000111
320S39.5Very low39.9Very low122 Ų122135.7 Ų135.785%0.85378%0.782SS**  trans-16973.2164.562.10000111.8
321S36.7Very low39.1Very low121 Ų121135.2 Ų135.285%0.84679%0.786SS**  trans-109.7111.4172.854.10000110.8
322F36.4Very low38.3Very low190 Ų190136.6 Ų136.683%0.83379%0.787SS**  trans-142.2110.5166.6-154.9-81.8000110.6
323S36.5Very low37.8Very low124 Ų124138.3 Ų138.387%0.86780%0.797SS**  trans-149.5124.3169.5-77.30000109.1
324T30.8Very low37.3Very low124 Ų124139.5 Ų139.576%0.76180%0.799SS**  trans-67.4139.7-169.5-39.80000112.8
325S33.7Very low36.9Very low91 Ų91140.5 Ų140.564%0.63680%0.801SS**  146.1142.1108.5-150.30000116.2
326V35.9Very low36.9Very low122 Ų122138.3 Ų138.374%0.73980%0.802SS**  trans48.1132.4156.7-68.10000123.1
327Y34.6Very low36.1Very low225 Ų225137.7 Ų137.788%0.88280%0.804SS**  trans52.3102.3154.9-86.4-90.3000119.4
328Q31.8Very low35.3Very low199 Ų199136.8 Ų136.893%0.9380%0.801SS**  -162.5173.5114.8-107.4172.318.300112
329A31.1Very low34.7Very low91 Ų91138.4 Ų138.475%0.75280%0.803SS**PPolyproline II helixtrans-86.6158.6-161.600000115P331A329-P331 WeakPolarHBondContact O-CD 3.29Å
330I32.7Very low34.6Very low160 Ų160138.9 Ų138.982%0.82180%0.8SS**PPolyproline II helixtrans-73.1121.9172.5-61.4167.1000109.4
331P37.1Very low34.3Very low116 Ų116139.1 Ų139.175%0.75380%0.802SS**PPolyproline II helixtrans-76.7131.5167.6-9.427.1000110.1A329A329-P331 WeakPolarHBondContact O-CD 3.29Å
332Q34.5Very low34Very low171 Ų171137.5 Ų137.580%0.79980%0.804SS**PPolyproline II helixtrans-84.5145.8166.4-69.3-157.86300110.7T334Q332-T334 PolarHBondContact O-N 3.32Å
333P36.5Very low33.9Very low126 Ų126133.1 Ų133.182%0.81880%0.797SS**PPolyproline II helixtrans-71124.4172.929.6-33.1000110.5
334T33.1Very low33.7Very low134 Ų134135.3 Ų135.382%0.82280%0.796SS**PPolyproline II helixtrans-99.2124.5178.745.10000111.9Q332Q332-T334 PolarHBondContact O-N 3.32Å
335T35.7Very low34.1Very low137 Ų137137.6 Ų137.684%0.8480%0.803SS**  trans-130.4153.9162.345.50000109.2
336P43.2Very low33.9Very low126 Ų126137.1 Ų137.182%0.81881%0.813SS**  trans-89170.4-13532.4-37.9000117.4
337V33.2Very low33.8Very low132 Ų132143 Ų14380%0.882%0.822SS**  trans-52.3156.8179.9-62.10000115.7
338S31Very low34.9Very low89 Ų89137.5 Ų137.562%0.62281%0.813SS**  -171.3126.2122.6-89.20000116.6
339F30.1Very low34.9Very low187 Ų187134.4 Ų134.482%0.8280%0.803SS**  trans73.3147.3145.4-53.9-48.1000125.4
340T32.3Very low34.9Very low129 Ų129135.2 Ų135.279%0.79180%0.803SS**  trans72.590.2154.438.90000121.7
341S33.4Very low35Very low127 Ų127132.8 Ų132.889%0.88881%0.807SS**  50.8118112.9-50.70000121.2
342G31.3Very low34.9Very low87 Ų87135.2 Ų135.290%0.89781%0.812SS**  trans178.8112.7160.200000113
343S33.4Very low34.9Very low98 Ų98133.5 Ų133.569%0.68581%0.814SS**  trans-111147.2171.5-178.50000109.6
344M32.9Very low34.7Very low171 Ų171134.7 Ų134.784%0.84281%0.813SS**  trans171.8167.4135.1-82.3-19.7157.200112.1
345L39.3Very low34.8Very low171 Ų171134.2 Ų134.290%0.89581%0.811SS**  trans-85.3162.3-176.4-68.764.2000112.5
346G29.6Very low34.8Very low82 Ų82137.8 Ų137.885%0.84581%0.81SS**  trans166.6120.3158.300000117.9
347R32.9Very low34.4Very low246 Ų246137.2 Ų137.293%0.92881%0.809SS**  trans-121.5166.4156.7-95.2179.3152.7-157.8-4.1106.7
348P59Low34.5Very low109 Ų109135.5 Ų135.571%0.70881%0.809SS**  cis-108.2-154.3-32.127.1-3.9000108.1
349D30.7Very low35.2Very low133 Ų133139.3 Ų139.371%0.71182%0.821SS**  cis-166.4163.325.6-142-43.1000114
350S31.8Very low36.1Very low109 Ų109136 Ų13676%0.76282%0.819SS**  trans19.8115.5156.4-63.10000123
351A34.1Very low36.9Very low108 Ų108135.9 Ų135.989%0.89382%0.82SS**  trans-151.4146.4145.900000112
352L36.1Very low37.2Very low167 Ų167138 Ų13887%0.87482%0.818SS**  trans-86.6140.1-169.6-62.8159.6000114.1
353T34.3Very low37.9Very low135 Ų135138.4 Ų138.483%0.82881%0.805SS**  -177.7110.912519.40000116.2
354N31.3Very low37.8Very low151 Ų151139.2 Ų139.281%0.80781%0.81SS**  trans37.4127133.1-74.6-21.7000124.8
355T35.4Very low37.8Very low125 Ų125140.3 Ų140.377%0.76781%0.811SS**  trans100.889.8137.3-51.20000120.8
356Y36.4Very low37.6Very low212 Ų212138.6 Ų138.683%0.83181%0.807SS**  trans40.4103.6133.2-88.2-96.8000122.1
357S34.7Very low37.8Very low113 Ų113143.9 Ų143.979%0.7981%0.813SS**  58.3126.4116.4-53.50000121.7
358A34.8Very low37.8Very low97 Ų97136.2 Ų136.280%0.80280%0.802SS**  trans-104.7161-177.800000114.9
359L46.2Very low36.7Very low168 Ų168137.8 Ų137.888%0.8880%0.804SS**  trans-144.8143150.6-75.6-177.3000109.9
360P49.1Very low36.8Very low119 Ų119137.7 Ų137.777%0.77380%0.804SS**PPolyproline II helixtrans-93.7149.4179.135.7-33.9000113.6
361P47.3Very low36.8Very low125 Ų125140.9 Ų140.981%0.81281%0.811SS**PPolyproline II helixtrans-89.1152.6176.835-34.6000113.9
362M40.2Very low37.4Very low172 Ų172141.8 Ų141.885%0.84781%0.808SS**PPolyproline II helixtrans-93.3140.9171.8-78.2-79.4-74.100111.5
363P47Very low37.2Very low95 Ų95141.2 Ų141.262%0.61780%0.803SS**PPolyproline II helixtrans-80.8138.7174.232.4-33.3000112.2F365P363-F365 HydrophobicContact CB-CE2 4.09Å
364S30.7Very low37.3Very low115 Ų115142.9 Ų142.980%0.80480%0.801SS**  trans-113.1141.5162.6-69.50000109.3
365F33.6Very low38.2Very low195 Ų195140 Ų14086%0.85579%0.791SS**  trans-119.8116.3176.4-72.2-77.8000110.9P363P363-F365 HydrophobicContact CB-CE2 4.09Å
366T34.2Very low37.9Very low134 Ų134139.2 Ų139.282%0.82279%0.79SS**  trans-144.4118.1171.6-53.50000108.6
367M34.7Very low37.6Very low194 Ų194137.3 Ų137.396%0.95679%0.789SS**  trans-146.4151.9161.7-79.5-163.1176.100109.7
368A32.9Very low37.5Very low85 Ų85138.2 Ų138.270%0.70279%0.79SS**  trans-149.5156.5179.200000109.8
369N34.7Very low37.3Very low141 Ų141138.6 Ų138.675%0.75479%0.787SS**  trans65.4155.3175-62.85000115.4
370N33.7Very low36.6Very low131 Ų131134.7 Ų134.770%0.70177%0.774SS**  cis-162.3145.2-20.3-102.2-11000107.7
371L31.8Very low35.8Very low176 Ų176139.8 Ų139.892%0.92178%0.779SS**  trans-145.2157.6161.8-94.9112.5000111.8
372P46.2Very low35.1Very low128 Ų128138.6 Ų138.683%0.83177%0.774SS**  trans-98.1-176-160.339.3-36.6000115.4
373M31.4Very low34.8Very low155 Ų155136.1 Ų136.176%0.76477%0.772SS**  trans-127.5136.7-166.4158.9-92.6-177.900112.5
374Q36.3Very low34.5Very low170 Ų170138.9 Ų138.979%0.79478%0.779SS**  trans-171.8173.9136.3-114.8-148.318.700112.5
375P50.6Low34.9Very low89 Ų89140.6 Ų140.658%0.57878%0.778SS**  -134.8178.2-115.644.8-27.5000116.9
376S28.5Very low35.5Very low109 Ų109137.7 Ų137.776%0.76278%0.779SS**  trans-178.3145.3132.232.30000113.4
377Q31.3Very low35.7Very low173 Ų173138 Ų13881%0.80878%0.78SS**  trans21.8139.5152.8-38.8-57.366.100120.1
378T31.9Very low35.9Very low132 Ų132134 Ų13481%0.8177%0.771SS**  cis-155.4162.343.548.50000114.6
379S30.1Very low37Very low104 Ų104135.8 Ų135.873%0.72778%0.776SS**  trans16.6136.5140.6-167.40000120.2
380S33.3Very low38Very low87 Ų87134.9 Ų134.961%0.60878%0.778SS**  cis-164.5-169-7.1-79.30000106.6
381Y31Very low38.1Very low225 Ų225135.8 Ų135.888%0.88279%0.788SS**  cis-149.1-170.714.2-106-63.6000109.4
382S33.7Very low38.2Very low100 Ų100135.2 Ų135.270%0.69979%0.785SS**  trans-153149.6-179.6-174.60000114.4
383C34.2Very low37.5Very low120 Ų120132.1 Ų132.181%0.81178%0.777SS**  trans-163.2149.2158.261.40000111.5
384M38.8Very low37.7Very low154 Ų154136.6 Ų136.676%0.75979%0.785SS**  cis-161141.7-35.5-118.3-54.2115.200107.5
385L39.7Very low37.4Very low151 Ų151132.5 Ų132.579%0.79178%0.775SS**  trans-127.1144.7165.5-87.591.3000109.5
386P46.3Very low36.6Very low134 Ų134137.6 Ų137.687%0.8778%0.784SS**PPolyproline II helixtrans-79.3140.8173.932.3-33.5000112.2
387T37.7Very low36.6Very low140 Ų140140.6 Ų140.686%0.85979%0.786SS**PPolyproline II helixtrans-97.3156.8-175.9-15.30000112.9
388S40.5Very low36.6Very low109 Ų109138 Ų13876%0.76278%0.782SS**PPolyproline II helixtrans-97.6159166.452.30000112.3
389P54.7Low36.5Very low123 Ų123142.6 Ų142.680%0.79979%0.787SS**  trans-118.8163.6158.9147.7000113.7
390P57.2Low36.9Very low122 Ų122143.2 Ų143.279%0.79279%0.786SS**  trans-125.8173.8-162.242.7-29.4000116.1
391V35.5Very low38.2Very low151 Ų151144.2 Ų144.292%0.91579%0.791SS**  trans-140.2150.8157.7-172.50000110.5
392N33.6Very low39.2Very low163 Ų163139.7 Ų139.787%0.87279%0.789SS**  trans-92.2142.3-175.6-92.6-34.6000114.6
393G31.8Very low39.3Very low63 Ų63140.5 Ų140.565%0.64978%0.781SS**  97.6109.8104.300000121.8
394R34.8Very low39.3Very low249 Ų249142.7 Ų142.794%0.9478%0.782SS**  trans69.2160.6156.9-43-173.6178.4-159.7-1.3114.6
395S30.2Very low39Very low84 Ų84142.2 Ų142.259%0.58778%0.777SS**  cis-142.4-175.113.6-61.40000112.7
396Y33.8Very low38.6Very low196 Ų196138.2 Ų138.277%0.76977%0.767SS**  trans-48.6152.6166.238.8-100.1000115.6
397E28.5Very low38Very low172 Ų172140.8 Ų140.880%0.80477%0.766SS**  -171.8163.9112.4-156.465.1172.400111.1
398T32.4Very low37.7Very low118 Ų118142.5 Ų142.572%0.72477%0.767SS**  trans-95142.9177.2-64.90000111.4
399Y28.8Very low37.3Very low229 Ų229143.9 Ų143.990%0.89877%0.766SS**  trans-164.1164.4141.2-129.2-95.7000113.2
400T39.4Very low36.1Very low117 Ų117141.4 Ų141.472%0.71875%0.751SS**  trans-121.9-172-179.6-18.20000111.2
401P58.8Low35Very low108 Ų108144 Ų14470%0.70175%0.753SS**  trans-91.7-169.5-134.444.1-33.3000114
402P53.3Low34.8Very low130 Ų130140.9 Ų140.984%0.84474%0.737SS**  -121.6153.9127.336-32.8000115.3
403H35.7Very low34.7Very low118 Ų118140.8 Ų140.855%0.54673%0.734SS.*  trans-68.5153.9174.6159.1-88.6000113.3Q405H403-Q405 PolarHBondContact NE2-OE1 3.2Å
404M33.2Very low34.7Very low166 Ų166143.4 Ų143.482%0.81874%0.737SS**  trans-156.8136.4132.2-97.9-90.585.600111.1
405Q33.7Very low34.6Very low143 Ų143137 Ų13767%0.66873%0.726SS**  trans-91.2168.1174-90.2175.7-104.500110H403H403-Q405 PolarHBondContact NE2-OE1 3.2Å
406A31.3Very low34.7Very low68 Ų68139 Ų13956%0.56274%0.74SS**  cis-172.6-160-12.100000109.1
407H33.2Very low34.5Very low187 Ų187132.7 Ų132.787%0.86673%0.734SS**  trans104.2158.2158.6-63.7-78000117.8
408M31.6Very low34.7Very low177 Ų177130.5 Ų130.587%0.87273%0.733SS**  trans-127.1172-155.9-54.8173.379.100110.1
409N31.2Very low34.9Very low137 Ų137131 Ų13173%0.73374%0.736SS**  123107.5123.2-156.139.8000116.6
410S30.8Very low35.2Very low71 Ų71124.9 Ų124.950%0.49773%0.727SS.*  trans64150135.877.60000122.2
411Q33.2Very low34.9Very low178 Ų178126 Ų12683%0.83273%0.734SS**  trans68148.3157.2-68.6172.36500116.4
412S31.3Very low33.8Very low84 Ų84124.1 Ų124.159%0.58773%0.733SS**  cis160.8163-35.450.80000107
413M32.8Very low33Very low162 Ų162125.8 Ų125.880%0.79873%0.734SS**  trans96.1136.6161.4-60.4-59178.900120.2
414T31.5Very low33.1Very low117 Ų117127.4 Ų127.472%0.71875%0.745SS**  trans84.4114.6140.142.80000123.1
415T31.2Very low33.2Very low116 Ų116124.8 Ų124.871%0.71274%0.743SS**  79108.9128.953.90000122.8
416S33.3Very low34Very low125 Ų125124 Ų12487%0.87475%0.751SS**  59.3139.5107.8-48.20000122
417G30.1Very low34Very low63 Ų63124.1 Ų124.165%0.64976%0.759SS**  trans129.184.5164.400000112.8
418T33Very low34.1Very low127 Ų127122.3 Ų122.378%0.77976%0.76SS**  73.711385.259.80000117
419T35Very low34.4Very low128 Ų128119.4 Ų119.479%0.78576%0.758SS**  trans69.2127137.656.50000123.1
420S35.2Very low34.9Very low100 Ų100118.9 Ų118.970%0.69976%0.759SS**  104.3134.1128.673.10000121
421T34.2Very low35.6Very low142 Ų142121.5 Ų121.587%0.87177%0.774SS**  trans51.8135.1151.148.90000120.5
422G34.2Very low36Very low67 Ų67118.8 Ų118.869%0.69177%0.77SS**  cis162.4-156.30.500000112
423L38.5Very low36.1Very low165 Ų165123 Ų12386%0.86478%0.78SS**  trans88111.3164.2-59.2-177.4000120.7
424I37.1Very low36.5Very low152 Ų152121 Ų12178%0.77978%0.777SS**  trans47126.714647.8160.1000121.4
425S34.1Very low37.1Very low111 Ų111120.4 Ų120.478%0.77678%0.775SS**  cis97.9158.940.5-73.60000113.1
426P50.9Low37.6Very low127 Ų127118.4 Ų118.483%0.82578%0.778SS**  cis-131.8178.5-7.739.6-23.5000115.6
427G32.2Very low37.8Very low71 Ų71117.6 Ų117.673%0.73277%0.772SS**  trans115.8106.5132.300000120.2
428V35.3Very low38.2Very low148 Ų148122.8 Ų122.890%0.89778%0.78SS**  -175.5145.9124.2145.20000108.5
429S38.3Very low39.3Very low117 Ų117121.6 Ų121.682%0.81877%0.774SS**  trans-94.5157.9-161.7-50.40000115.4
430V40.4Very low39.2Very low125 Ų125121.7 Ų121.776%0.75877%0.77SS**  trans-119.4141.7170175.80000109.5V432V430-V432 HydrophobicContact CG1-CG2 4.05Å
431P45.8Very low39.1Very low126 Ų126123.9 Ų123.982%0.81877%0.77SS**  trans-109.1126155.233.7-24.1000111.3
432V41.4Very low39.1Very low122 Ų122120.9 Ų120.974%0.73976%0.756SS**  trans-108.7138.2164.1170.40000107.5V430V430-V432 HydrophobicContact CG1-CG2 4.05Å
433Q33.1Very low39.2Very low171 Ų171125.8 Ų125.880%0.79976%0.761SS**  trans-137.6119.9173.6-166.467.728.100111
434V41.5Very low39Very low122 Ų122127.7 Ų127.774%0.73976%0.758SS**  trans-146.6119.2172178.80000109.3
435P45.6Very low38.9Very low103 Ų103131 Ų13167%0.66976%0.76SS**  trans-87.2151.4154.1-727.3000109.7
436G40.8Very low39.1Very low75 Ų75130.8 Ų130.877%0.77376%0.759SS**  cis85.3123.423.900000109.7
437S36.4Very low38.5Very low108 Ų108135.7 Ų135.776%0.75576%0.761SS**  cis-156-170.813.3480000108.8
438E39Very low39.1Very low172 Ų172140.4 Ų140.480%0.80477%0.769SS**  cis-149.5-174.712.3-107.8-45.172.800109.2
439P57.3Low39.6Very low102 Ų102145.8 Ų145.866%0.66278%0.784SS**  trans-116.6-176.5-16145.3-39.2000116.8
440D33.2Very low39.6Very low130 Ų130147.2 Ų147.270%0.69578%0.782SS**  167.5157.8111.2-166.622.7000113.5
441M33.1Very low39.6Very low145 Ų145148.4 Ų148.471%0.71478%0.783SS**  trans58.2150.1166-72.1-69.998.800118.8
442S32.8Very low39.3Very low80 Ų80149.6 Ų149.656%0.55978%0.781SS**  cis-167141.2-9.746.30000112
443Q37.5Very low39.1Very low170 Ų170151.2 Ų151.279%0.79478%0.784SS**  trans59.8158.7145.1-60175.10.100118.7
444Y33.4Very low39.5Very low204 Ų204150 Ų15080%0.878%0.783SS**  cis-148.5173.7-14.7-140.7-125.1000110.1
445W35.2Very low39.4Very low221 Ų221151.9 Ų151.984%0.83779%0.786SS**  trans-71152.8172.1-70.583.2000112.2
446S38.1Very low38.9Very low107 Ų107155.4 Ų155.475%0.74879%0.794SS**  169.316692.8-73.50000110
447R38.4Very low38.8Very low231 Ų231161.5 Ų161.587%0.87280%0.796SS**  cis-172157-28-172.9179.4-158-1577.2105.5
448L45.2Very low39Very low170 Ų170166 Ų16689%0.8980%0.799SS**  trans-48.1138.2172.3-72.3150.6000113.8
449Q44.8Very low39Very low260 Ų260165.5 Ų165.5100%1.21580%0.799SS**  -142.20118.9-167.4161.54.900109.7

Retrieved 449 of 449 residues in 421.5 ms (Link to these results)