A0A077ZNA4_TRITR Loading...

GWT1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNA4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 267 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.8Very low54.5Low246 Ų246126.4 Ų126.4100%1.21269%0.689SS**  0117.90-94.3175.7170.300107.8
2E47Very low55.7Low163 Ų163122.2 Ų122.276%0.76268%0.676SS**  trans-63126.1171.2-174176.1174.500109.7T4E2-T4 HydrophobicContact CG-CG2 4Å; E2-T4 PolarHBondContact OE1-OG1 3Å
3Q47.7Very low57Low198 Ų198120.4 Ų120.493%0.92566%0.664SS**  trans-123.182.2158.7-85-170.1-12.700107.1
4T50.3Low57.8Low105 Ų105116 Ų11664%0.64465%0.651SS**  trans-83.5134.5163.540.70000108.8E2E2-T4 HydrophobicContact CG-CG2 4Å; E2-T4 PolarHBondContact OE1-OG1 3Å
5K49.7Very low58.8Low141 Ų141113.2 Ų113.261%0.61364%0.642SS**  trans97.9126.3166.5-140.9169-174.3-178.90116.6A7 H8K5-A7 HydrophobicContact CG-CB 4.12Å; K5-H8 WeakPolarHBondContact CE-CD2 3.35Å; K5-H8 PolarHBondContact NZ-CD2 3.22Å; K5-H8 PolarHBondContact NZ-NE2 3.39Å
6P54.3Low59.6Low103 Ų103108.3 Ų108.367%0.66963%0.625SS**  -134.670.198.639.1-28000113.9H8P6-H8 PolarHBondContact O-N 3.06Å
7A58.5Low60.4Low67 Ų67110.4 Ų110.455%0.55463%0.625SS**Hα-helixtrans-68.2-12.2170.800000114.7K5K5-A7 HydrophobicContact CG-CB 4.12Å
8H56.6Low60.8Low136 Ų136110.1 Ų110.163%0.6362%0.621SS**Hα-helixtrans-79.2-26.6179.2-90.2-65000113.9K5 P6K5-H8 WeakPolarHBondContact CE-CD2 3.35Å; K5-H8 PolarHBondContact NZ-CD2 3.22Å; K5-H8 PolarHBondContact NZ-NE2 3.39Å; P6-H8 PolarHBondContact O-N 3.06Å
9A61.4Low61.1Low53 Ų53106.6 Ų106.644%0.43861%0.607SS.*Hα-helixtrans-68.8-42.9-177.400000111.4A11 S12 L13A9-A11 PolarHBondContact O-N 3.4Å; A9-S12 PolarHBondContact O-N 3.29Å; A9-S12 PolarHBondContact O-OG 3.36Å; A9-L13 PolarHBondContact O-N 3.36Å; A9-L13 VanDerWaalsContact O-N 3.12Å
10D63.5Low61.4Low115 Ų115111.1 Ų111.162%0.61561%0.613SS**Hα-helixtrans-67.3-38.2-175.6-67.5-28.3000113.2S12 L13 A14D10-S12 PolarHBondContact O-N 2.83Å; D10-L13 PolarHBondContact O-N 2.75Å; D10-A14 WeakPolarHBondContact O-CB 3.46Å; D10-A14 PolarHBondContact O-N 2.76Å
11A64.6Low61.6Low63 Ų63111.5 Ų111.552%0.52161%0.609SS.*Hα-helixtrans-64.7-39.6176.300000111.9A9 A14 S15A9-A11 PolarHBondContact O-N 3.4Å; A11-A14 PolarHBondContact O-N 3.09Å; A11-S15 WeakPolarHBondContact O-CB 3.44Å; A11-S15 PolarHBondContact O-N 3.03Å
12S68.8Low62.5Low76 Ų76105.2 Ų105.253%0.53158%0.577SS.*Hα-helixtrans-65.5-41.4176.679.20000111.7A9 D10 S15 G16A9-S12 PolarHBondContact O-N 3.29Å; A9-S12 PolarHBondContact O-OG 3.36Å; D10-S12 PolarHBondContact O-N 2.83Å; S12-S15 PolarHBondContact O-N 3.2Å; S12-S15 PolarHBondContact O-OG 3.38Å; S12-G16 PolarHBondContact O-N 3.49Å
13L72.4Confident63.5Low99 Ų99106.4 Ų106.452%0.51857%0.574SS.*Hα-helixtrans-66.8-40.8178-170.571.1000111.6A9 D10 G16 K17A9-L13 PolarHBondContact O-N 3.36Å; A9-L13 VanDerWaalsContact O-N 3.12Å; D10-L13 PolarHBondContact O-N 2.75Å; L13-G16 PolarHBondContact O-N 3.29Å; L13-K17 WeakPolarHBondContact O-CG 3.42Å; L13-K17 PolarHBondContact O-N 3.46Å
14A68.9Low64.6Low59 Ų59103.4 Ų103.449%0.48856%0.559SS.*Hα-helixtrans-62.9-45175.200000111.7D10 A11 G16 K17 L18D10-A14 WeakPolarHBondContact O-CB 3.46Å; D10-A14 PolarHBondContact O-N 2.76Å; A11-A14 PolarHBondContact O-N 3.09Å; A14-G16 VanDerWaalsContact C-N 3.32Å; A14-G16 PolarHBondContact O-N 2.98Å; A14-K17 PolarHBondContact O-N 3.47Å; A14-L18 WeakPolarHBondContact O-CB 3.11Å; A14-L18 PolarHBondContact O-N 3.28Å
15S72Confident65.5Low74 Ų74103.8 Ų103.852%0.51755%0.548SS..Hα-helixtrans-61.8-39.617676.80000112.2A11 S12 L18 A19A11-S15 WeakPolarHBondContact O-CB 3.44Å; A11-S15 PolarHBondContact O-N 3.03Å; S12-S15 PolarHBondContact O-N 3.2Å; S12-S15 PolarHBondContact O-OG 3.38Å; S15-L18 PolarHBondContact O-N 2.94Å; S15-A19 WeakPolarHBondContact O-CB 3.48Å; S15-A19 PolarHBondContact O-N 2.9Å
16G71.8Confident66.5Low35 Ų3598.4 Ų98.436%0.36153%0.533SS..Hα-helixtrans-66.6-40.1176.600000113S12 L13 A14 R20S12-G16 PolarHBondContact O-N 3.49Å; L13-G16 PolarHBondContact O-N 3.29Å; A14-G16 VanDerWaalsContact C-N 3.32Å; A14-G16 PolarHBondContact O-N 2.98Å; G16-R20 VanDerWaalsContact O-CB 3.31Å; G16-R20 WeakPolarHBondContact O-CB 3.46Å; G16-R20 PolarHBondContact O-N 3.48Å
17K73.8Confident67.3Low144 Ų144100.9 Ų100.963%0.62653%0.53SS*.Hα-helixtrans-64.5-43.8173.6-75.8-179-179.1179.20111.4L13 A14 R20 F21L13-K17 WeakPolarHBondContact O-CG 3.42Å; L13-K17 PolarHBondContact O-N 3.46Å; A14-K17 PolarHBondContact O-N 3.47Å; K17-R20 PolarHBondContact O-N 3.49Å; K17-F21 WeakPolarHBondContact O-CB 3.2Å; K17-F21 PolarHBondContact O-N 3.48Å
18L67.9Low67.9Low105 Ų105101.6 Ų101.655%0.5552%0.524SS..Hα-helixtrans-63.1-46177.4-164.274.9000111.3A14 S15 R20 F21 H22A14-L18 WeakPolarHBondContact O-CB 3.11Å; A14-L18 PolarHBondContact O-N 3.28Å; S15-L18 PolarHBondContact O-N 2.94Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.14Å; L18-F21 WeakPolarHBondContact O-CB 3.49Å; L18-F21 PolarHBondContact O-N 3.49Å; L18-H22 PolarHBondContact O-CD2 3.32Å; L18-H22 VanDerWaalsContact O-CD2 3.29Å; L18-H22 PolarHBondContact O-N 3.32Å
19A66.7Low68.6Low43 Ų4398.8 Ų98.836%0.35551%0.508SS..Hα-helixtrans-64.2-34.8176.600000112.8S15 R23S15-A19 WeakPolarHBondContact O-CB 3.48Å; S15-A19 PolarHBondContact O-N 2.9Å; A19-R23 WeakPolarHBondContact O-CB 3.41Å; A19-R23 PolarHBondContact O-N 3.17Å
20R67.4Low69.3Low196 Ų196104 Ų10474%0.7452%0.522SS*.Hα-helixtrans-69.8-38.5174.4-157-177-68.3-169.5-1.7111G16 K17 L18 R23 F24G16-R20 VanDerWaalsContact O-CB 3.31Å; G16-R20 WeakPolarHBondContact O-CB 3.46Å; G16-R20 PolarHBondContact O-N 3.48Å; K17-R20 PolarHBondContact O-N 3.49Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.14Å; R20-R23 PolarHBondContact O-N 3.34Å; R20-F24 WeakPolarHBondContact O-CB 3.41Å; R20-F24 PolarHBondContact O-N 3.19Å
21F64.1Low69.8Low121 Ų121102.6 Ų102.653%0.53151%0.511SS..Hα-helixtrans-65.5-44.7174.9-168.6-104.1000112.2K17 L18 F24 R25K17-F21 WeakPolarHBondContact O-CB 3.2Å; K17-F21 PolarHBondContact O-N 3.48Å; L18-F21 WeakPolarHBondContact O-CB 3.49Å; L18-F21 PolarHBondContact O-N 3.49Å; F21-F24 PolarHBondContact O-N 2.97Å; F21-R25 HydrophobicContact CD1-CG 4.48Å; F21-R25 HydrophobicContact CE1-CG 4.31Å; F21-R25 WeakPolarHBondContact O-CG 3.41Å; F21-R25 PolarHBondContact O-N 2.88Å
22H64.8Low70.1Confident113 Ų113101.2 Ų101.252%0.52350%0.495SS..Hα-helixtrans-63.2-42.3174.3-83.7-81.4000112.6L18 F24 R25 G26L18-H22 PolarHBondContact O-CD2 3.32Å; L18-H22 VanDerWaalsContact O-CD2 3.29Å; L18-H22 PolarHBondContact O-N 3.32Å; H22-F24 PolarHBondContact O-N 3.48Å; H22-R25 PolarHBondContact O-N 3.2Å; H22-G26 PolarHBondContact O-N 3.49Å
23R67.9Low70.2Confident188 Ų188100.8 Ų100.871%0.70949%0.486SS*.Hα-helixtrans-62.1-41.4174.2-90.9-174-79.8-156.6-4.7112.5A19 R20 G26 Y27A19-R23 WeakPolarHBondContact O-CB 3.41Å; A19-R23 PolarHBondContact O-N 3.17Å; R20-R23 PolarHBondContact O-N 3.34Å; R23-G26 PolarHBondContact O-N 2.9Å; R23-Y27 WeakPolarHBondContact O-CB 3.45Å; R23-Y27 PolarHBondContact O-N 3.48Å
24F71.3Confident70.1Confident136 Ų13698 Ų9860%0.59648%0.481SS*.Hα-helixtrans-65-41.8177.5-170-98.2000112.1R20 F21 H22 Y27 L28R20-F24 WeakPolarHBondContact O-CB 3.41Å; R20-F24 PolarHBondContact O-N 3.19Å; F21-F24 PolarHBondContact O-N 2.97Å; H22-F24 PolarHBondContact O-N 3.48Å; F24-Y27 PolarHBondContact O-N 2.99Å; F24-L28 WeakPolarHBondContact O-CB 3.38Å; F24-L28 PolarHBondContact O-N 2.81Å
25R69.8Low70.1Confident113 Ų11399.3 Ų99.343%0.42648%0.477SS..Hα-helixtrans-58.9-49.7173.1-72.6-178.885.7170.57.1111.1F21 H22 Y27 L28 Y29F21-R25 HydrophobicContact CD1-CG 4.48Å; F21-R25 HydrophobicContact CE1-CG 4.31Å; F21-R25 WeakPolarHBondContact O-CG 3.41Å; F21-R25 PolarHBondContact O-N 2.88Å; H22-R25 PolarHBondContact O-N 3.2Å; R25-Y27 PolarHBondContact O-N 2.84Å; R25-L28 PolarHBondContact O-N 3.1Å; R25-Y29 VanDerWaalsContact C-CD2 3.5Å; R25-Y29 HydrophobicContact CB-CD2 4.4Å; R25-Y29 HydrophobicContact CB-CE2 3.91Å; R25-Y29 WeakPolarHBondContact O-CD2 3.17Å; R25-Y29 PolarHBondContact O-N 3.28Å
26G69.1Low69.8Low28 Ų2897.8 Ų97.829%0.28946%0.461SS..Hα-helixtrans-54.8-49.7176.700000112.3H22 R23 L28 Y29 F30H22-G26 PolarHBondContact O-N 3.49Å; R23-G26 PolarHBondContact O-N 2.9Å; G26-L28 PolarHBondContact O-N 3.41Å; G26-Y29 PolarHBondContact O-N 3.46Å; G26-F30 VanDerWaalsContact O-CD2 3.27Å; G26-F30 WeakPolarHBondContact O-CD2 3.22Å; G26-F30 PolarHBondContact O-N 3.49Å
27Y71.5Confident69.5Low154 Ų154100 Ų10060%0.60448%0.476SS*.Hα-helixtrans-60.5-44.1178.9-175-93.2000112.8R23 F24 R25 Y29 F30 Q31R23-Y27 WeakPolarHBondContact O-CB 3.45Å; R23-Y27 PolarHBondContact O-N 3.48Å; F24-Y27 PolarHBondContact O-N 2.99Å; R25-Y27 PolarHBondContact O-N 2.84Å; Y27-Y29 VanDerWaalsContact C-N 3.33Å; Y27-Y29 PolarHBondContact O-N 3.19Å; Y27-F30 PolarHBondContact O-N 3.42Å; Y27-Q31 WeakPolarHBondContact O-CB 3.39Å; Y27-Q31 PolarHBondContact O-N 3.28Å
28L72.6Confident68.7Low83 Ų8397.3 Ų97.344%0.43548%0.48SS..Hα-helixtrans-62-40.6177.7-173.372000111.8F24 R25 G26 Q31 L32F24-L28 WeakPolarHBondContact O-CB 3.38Å; F24-L28 PolarHBondContact O-N 2.81Å; R25-L28 PolarHBondContact O-N 3.1Å; G26-L28 PolarHBondContact O-N 3.41Å; L28-Q31 PolarHBondContact O-N 3.07Å; L28-L32 HydrophobicContact CG-CD1 4.26Å; L28-L32 PolarHBondContact O-N 2.61Å; L28-L32 VanDerWaalsContact O-N 3.09Å
29Y70.8Confident68.3Low76 Ų7693.1 Ų93.130%0.29846%0.46SS..Hα-helixtrans-63.7-47.2175.5-66.8-54.7000111.9R25 G26 Y27 Q31 L32 I33 I132R25-Y29 VanDerWaalsContact C-CD2 3.5Å; R25-Y29 HydrophobicContact CB-CD2 4.4Å; R25-Y29 HydrophobicContact CB-CE2 3.91Å; R25-Y29 WeakPolarHBondContact O-CD2 3.17Å; R25-Y29 PolarHBondContact O-N 3.28Å; G26-Y29 PolarHBondContact O-N 3.46Å; Y27-Y29 VanDerWaalsContact C-N 3.33Å; Y27-Y29 PolarHBondContact O-N 3.19Å; Y29-Q31 VanDerWaalsContact C-N 3.33Å; Y29-Q31 PolarHBondContact O-N 2.99Å; Y29-L32 PolarHBondContact O-N 2.86Å; Y29-I33 WeakPolarHBondContact O-CG1 3.25Å; Y29-I33 PolarHBondContact O-N 3.21Å; Y29-I33 VanDerWaalsContact O-N 3.11Å; Y29-I132 HydrophobicContact CD1-CD1 3.9Å; Y29-I132 HydrophobicContact CD1-CG1 4.13Å; Y29-I132 HydrophobicContact CD1-CG2 3.6Å; Y29-I132 HydrophobicContact CE1-CD1 4.04Å; Y29-I132 HydrophobicContact CE1-CG1 4.02Å; Y29-I132 HydrophobicContact CE1-CG2 4.06Å; Y29-I132 HydrophobicContact CG-CG2 4.46Å
30F74.6Confident67.9Low164 Ų164102.8 Ų102.872%0.71949%0.487SS*.Hα-helixtrans-61.5-40.8177.7-88.7-74.9000112.3G26 Y27 I33 G34G26-F30 VanDerWaalsContact O-CD2 3.27Å; G26-F30 WeakPolarHBondContact O-CD2 3.22Å; G26-F30 PolarHBondContact O-N 3.49Å; Y27-F30 PolarHBondContact O-N 3.42Å; F30-I33 PolarHBondContact O-N 2.92Å; F30-G34 PolarHBondContact O-N 3.38Å
31Q75.5Confident67.3Low85 Ų8594 Ų9440%0.39746%0.455SS..Hα-helixtrans-65.1-44.8178.6-172.4-179.9-17.400111.9Y27 L28 Y29 I33 G34 E35Y27-Q31 WeakPolarHBondContact O-CB 3.39Å; Y27-Q31 PolarHBondContact O-N 3.28Å; L28-Q31 PolarHBondContact O-N 3.07Å; Y29-Q31 VanDerWaalsContact C-N 3.33Å; Y29-Q31 PolarHBondContact O-N 2.99Å; Q31-I33 PolarHBondContact O-N 3.11Å; Q31-G34 PolarHBondContact O-N 3.49Å; Q31-E35 PolarHBondContact NE2-OE1 2.88Å; Q31-E35 WeakPolarHBondContact O-CG 3.35Å; Q31-E35 PolarHBondContact O-N 2.96Å
32L71Confident66.8Low33 Ų3395.3 Ų95.317%0.17346%0.462CS..Hα-helixtrans-61-43.1177.6-81.6161.6000112.2L28 Y29 E35 F36 I132L28-L32 HydrophobicContact CG-CD1 4.26Å; L28-L32 PolarHBondContact O-N 2.61Å; L28-L32 VanDerWaalsContact O-N 3.09Å; Y29-L32 PolarHBondContact O-N 2.86Å; L32-E35 PolarHBondContact O-N 2.9Å; L32-F36 WeakPolarHBondContact O-CB 3.22Å; L32-F36 PolarHBondContact O-N 3.18Å; L32-I132 HydrophobicContact CD1-CD1 3.78Å
33I70.7Confident66.4Low67 Ų6796.1 Ų96.134%0.34448%0.475SS..Hα-helixtrans-65.8-41.1177.5-65.8167.2000110.8Y29 F30 Q31 F36 A37 I133Y29-I33 WeakPolarHBondContact O-CG1 3.25Å; Y29-I33 PolarHBondContact O-N 3.21Å; Y29-I33 VanDerWaalsContact O-N 3.11Å; F30-I33 PolarHBondContact O-N 2.92Å; Q31-I33 PolarHBondContact O-N 3.11Å; I33-F36 PolarHBondContact O-N 3.05Å; I33-A37 WeakPolarHBondContact O-CB 3.45Å; I33-A37 PolarHBondContact O-N 3.48Å; I33-I133 HydrophobicContact CG1-CG1 4.25Å
34G69.6Low66.4Low40 Ų4089.2 Ų89.241%0.41246%0.456SS..Hα-helixtrans-63.1-44175.700000113F30 Q31 F36 A37 A38F30-G34 PolarHBondContact O-N 3.38Å; Q31-G34 PolarHBondContact O-N 3.49Å; G34-F36 VanDerWaalsContact C-N 3.31Å; G34-F36 PolarHBondContact O-N 3.4Å; G34-A37 PolarHBondContact O-N 3.31Å; G34-A38 WeakPolarHBondContact O-CB 3.39Å; G34-A38 PolarHBondContact O-N 3.39Å
35E68.7Low66.6Low88 Ų8884 Ų8441%0.41143%0.432SS..Hα-helixtrans-62.1-38.4174.7-75.3179.8-16000111.8Q31 L32 S39 K125Q31-E35 PolarHBondContact NE2-OE1 2.88Å; Q31-E35 WeakPolarHBondContact O-CG 3.35Å; Q31-E35 PolarHBondContact O-N 2.96Å; L32-E35 PolarHBondContact O-N 2.9Å; E35-S39 PolarHBondContact O-N 2.97Å; E35-K125 IonicContact OE2-NZ 3.92Å
36F65.6Low67.3Low42 Ų4281.2 Ų81.218%0.18443%0.433CS..Hα-helixtrans-66.7-47.2175.5-177.7-97.4000112.1L32 I33 G34 A38 S39 Y45 C129 L130 I133L32-F36 WeakPolarHBondContact O-CB 3.22Å; L32-F36 PolarHBondContact O-N 3.18Å; I33-F36 PolarHBondContact O-N 3.05Å; G34-F36 VanDerWaalsContact C-N 3.31Å; G34-F36 PolarHBondContact O-N 3.4Å; F36-A38 VanDerWaalsContact C-N 3.29Å; F36-A38 PolarHBondContact O-N 2.96Å; F36-S39 WeakPolarHBondContact O-CB 3.31Å; F36-S39 PolarHBondContact O-N 3.3Å; F36-S39 VanDerWaalsContact O-N 3.17Å; F36-S39 PolarHBondContact O-OG 3.37Å; F36-Y45 HydrophobicContact CE1-CE2 4.29Å; F36-Y45 AromaticContact CE2-CE2 3.71Å; F36-Y45 HydrophobicContact CE2-CE2 3.71Å; F36-Y45 AromaticContact CE2-CZ 3.88Å; F36-Y45 WeakPolarHBondContact CE2-OH 3.27Å; F36-Y45 HydrophobicContact CZ-CD2 4.17Å; F36-Y45 AromaticContact CZ-CE2 3.33Å; F36-Y45 HydrophobicContact CZ-CE2 3.33Å; F36-Y45 AromaticContact CZ-CZ 3.73Å; F36-C129 HydrophobicContact CB-CB 4.26Å; F36-C129 WeakPolarHBondContact CB-SG 3.49Å; F36-C129 HydrophobicContact CD2-CB 4.23Å; F36-C129 HydrophobicContact CG-CB 4.39Å; F36-L130 HydrophobicContact CE2-CD2 4.2Å; F36-L130 HydrophobicContact CE2-CG 4.28Å; F36-L130 HydrophobicContact CZ-CD2 3.78Å; F36-L130 HydrophobicContact CZ-CG 4.36Å; F36-I133 HydrophobicContact CD1-CD1 4.41Å
37A65.4Low68.3Low81 Ų8181.5 Ų81.567%0.66943%0.428SS*.Hα-helixtrans-63.1-34.917800000112.8I33 G34 S39I33-A37 WeakPolarHBondContact O-CB 3.45Å; I33-A37 PolarHBondContact O-N 3.48Å; G34-A37 PolarHBondContact O-N 3.31Å; A37-S39 VanDerWaalsContact C-N 3.27Å; A37-S39 PolarHBondContact O-N 3.29Å
38A57.5Low69.1Low87 Ų8775 Ų7572%0.71941%0.407SS*.THydrogen-bonded Turntrans-75.6-13.3178.100000113.9G34 F36G34-A38 WeakPolarHBondContact O-CB 3.39Å; G34-A38 PolarHBondContact O-N 3.39Å; F36-A38 VanDerWaalsContact C-N 3.29Å; F36-A38 PolarHBondContact O-N 2.96Å
39S60.2Low70Confident18 Ų1875.6 Ų75.613%0.12641%0.409CS..SBendtrans-74.6148.2-176.872.50000112.5E35 F36 A37 L41 Y122E35-S39 PolarHBondContact O-N 2.97Å; F36-S39 WeakPolarHBondContact O-CB 3.31Å; F36-S39 PolarHBondContact O-N 3.3Å; F36-S39 VanDerWaalsContact O-N 3.17Å; F36-S39 PolarHBondContact O-OG 3.37Å; A37-S39 VanDerWaalsContact C-N 3.27Å; A37-S39 PolarHBondContact O-N 3.29Å; S39-L41 PolarHBondContact O-N 2.98Å; S39-L41 WeakPolarHBondContact OG-CB 3.46Å; S39-L41 WeakPolarHBondContact OG-CD1 3.48Å; S39-Y122 VanDerWaalsContact CB-OH 3.27Å; S39-Y122 WeakPolarHBondContact CB-OH 3.36Å
40R57.7Low71Confident245 Ų24575.1 Ų75.193%0.92541%0.414SS*.G310 helixtrans-6410.6173.6-76.1-163.4-176.7-174.12.6114.2H42R40-H42 PolarHBondContact O-N 2.94Å
41L55.3Low72Confident11 Ų1167.3 Ų67.36%0.05838%0.38CS..G310 helixtrans-69-12179.1-85.5134.3000114.2S39 V43 S44 Y45 L109 Y122S39-L41 PolarHBondContact O-N 2.98Å; S39-L41 WeakPolarHBondContact OG-CB 3.46Å; S39-L41 WeakPolarHBondContact OG-CD1 3.48Å; L41-V43 VanDerWaalsContact C-N 3.27Å; L41-V43 PolarHBondContact O-N 3.35Å; L41-S44 WeakPolarHBondContact O-CA 3.45Å; L41-S44 WeakPolarHBondContact O-CB 3.41Å; L41-S44 PolarHBondContact O-N 3.36Å; L41-Y45 HydrophobicContact CB-CD2 3.88Å; L41-Y45 HydrophobicContact CB-CE2 3.4Å; L41-Y45 HydrophobicContact CD2-CD2 4.47Å; L41-Y45 HydrophobicContact CD2-CE1 4.42Å; L41-Y45 HydrophobicContact CD2-CE2 3.54Å; L41-Y45 VanDerWaalsContact CD2-CZ 3.47Å; L41-Y45 VanDerWaalsContact CD2-OH 3.25Å; L41-Y45 WeakPolarHBondContact CD2-OH 3.4Å; L41-Y45 HydrophobicContact CG-CE2 4.02Å; L41-Y45 WeakPolarHBondContact O-CD2 3.33Å; L41-Y45 PolarHBondContact O-N 3.42Å; L41-L109 HydrophobicContact CD2-CD1 3.51Å; L41-Y122 HydrophobicContact CD1-CE1 3.98Å; L41-Y122 WeakPolarHBondContact CD1-OH 3.5Å
42H53.6Low72.8Confident150 Ų15065.8 Ų65.869%0.69438%0.376SS*.G310 helixtrans-55.9-37.4-177.4-163.2-82.8000113.8R40 S44R40-H42 PolarHBondContact O-N 2.94Å; H42-S44 VanDerWaalsContact C-N 3.28Å; H42-S44 PolarHBondContact O-N 3.12Å
43V56.8Low73.9Confident130 Ų13066.8 Ų66.879%0.78839%0.389SS*.G310 helixtrans-70.4-27.4177.2-178.40000111.6L41L41-V43 VanDerWaalsContact C-N 3.27Å; L41-V43 PolarHBondContact O-N 3.35Å
44S67Low75.1Confident43 Ų4365.2 Ų65.230%0.30138%0.381SS..G310 helixtrans-80.5-12.9-177.5-62.80000114.1L41 H42L41-S44 WeakPolarHBondContact O-CA 3.45Å; L41-S44 WeakPolarHBondContact O-CB 3.41Å; L41-S44 PolarHBondContact O-N 3.36Å; H42-S44 VanDerWaalsContact C-N 3.28Å; H42-S44 PolarHBondContact O-N 3.12Å
45Y76.1Confident76.2Confident26 Ų2663.4 Ų63.410%0.10236%0.362CS..G310 helixtrans-104.415.5-172.9-69.4-54.4000115.1F36 L41 N47 A48 I49 D105F36-Y45 HydrophobicContact CE1-CE2 4.29Å; F36-Y45 AromaticContact CE2-CE2 3.71Å; F36-Y45 HydrophobicContact CE2-CE2 3.71Å; F36-Y45 AromaticContact CE2-CZ 3.88Å; F36-Y45 WeakPolarHBondContact CE2-OH 3.27Å; F36-Y45 HydrophobicContact CZ-CD2 4.17Å; F36-Y45 AromaticContact CZ-CE2 3.33Å; F36-Y45 HydrophobicContact CZ-CE2 3.33Å; F36-Y45 AromaticContact CZ-CZ 3.73Å; L41-Y45 HydrophobicContact CB-CD2 3.88Å; L41-Y45 HydrophobicContact CB-CE2 3.4Å; L41-Y45 HydrophobicContact CD2-CD2 4.47Å; L41-Y45 HydrophobicContact CD2-CE1 4.42Å; L41-Y45 HydrophobicContact CD2-CE2 3.54Å; L41-Y45 VanDerWaalsContact CD2-CZ 3.47Å; L41-Y45 VanDerWaalsContact CD2-OH 3.25Å; L41-Y45 WeakPolarHBondContact CD2-OH 3.4Å; L41-Y45 HydrophobicContact CG-CE2 4.02Å; L41-Y45 WeakPolarHBondContact O-CD2 3.33Å; L41-Y45 PolarHBondContact O-N 3.42Å; Y45-N47 VanDerWaalsContact C-N 3.29Å; Y45-N47 PolarHBondContact O-N 3.27Å; Y45-A48 HydrophobicContact CD1-CB 4.33Å; Y45-A48 PolarHBondContact O-N 3.16Å; Y45-I49 WeakPolarHBondContact O-CG1 3.35Å; Y45-I49 PolarHBondContact O-N 2.89Å; Y45-D105 WeakPolarHBondContact CA-OD2 3.42Å; Y45-D105 HydrophobicContact CD1-CB 4.06Å
46A83.6Confident77.4Confident54 Ų5463 Ų6345%0.44636%0.362SS..Hα-helixtrans-57.7-39.1-178.400000112.9V50 D105A46-V50 WeakPolarHBondContact O-CG2 3.35Å; A46-V50 PolarHBondContact O-N 3.47Å; A46-V50 VanDerWaalsContact O-N 3.16Å; A46-D105 PolarHBondContact N-OD2 3.23Å
47N89.6Confident78.7Confident34 Ų3463.9 Ų63.918%0.18238%0.377CS..Hα-helixtrans-73.6-38.3177.2-63.2-49.4000111.6Y45 I49 V50 G51 H101 T104 D105 R108Y45-N47 VanDerWaalsContact C-N 3.29Å; Y45-N47 PolarHBondContact O-N 3.27Å; N47-I49 VanDerWaalsContact C-N 3.25Å; N47-I49 PolarHBondContact O-N 3.34Å; N47-V50 CarbonylContact O-C 3.36Å; N47-V50 WeakPolarHBondContact O-CA 3.41Å; N47-V50 WeakPolarHBondContact O-CB 3.41Å; N47-V50 PolarHBondContact O-N 3.34Å; N47-V50 VanDerWaalsContact O-N 3.09Å; N47-G51 PolarHBondContact O-N 2.86Å; N47-H101 HydrophobicContact CB-CB 4.27Å; N47-H101 WeakPolarHBondContact CB-O 3.36Å; N47-H101 WeakPolarHBondContact O-CB 3.26Å; N47-T104 WeakPolarHBondContact CB-OG1 3.48Å; N47-T104 PolarHBondContact ND2-OG1 2.86Å; N47-T104 VanDerWaalsContact ND2-OG1 3.16Å; N47-D105 VanDerWaalsContact CA-OD2 3.31Å; N47-D105 WeakPolarHBondContact CA-OD2 3.08Å; N47-D105 WeakPolarHBondContact CB-OD1 3.36Å; N47-D105 WeakPolarHBondContact CB-OD2 3.37Å; N47-D105 PolarHBondContact N-OD2 2.82Å; N47-D105 PolarHBondContact ND2-OD1 3.34Å; N47-R108 PolarHBondContact ND2-NH1 2.94Å; N47-R108 PolarHBondContact ND2-NH2 3.2Å; N47-R108 VanDerWaalsContact ND2-NH2 3.1Å
48A89.9Confident79.9Confident19 Ų1960.6 Ų60.616%0.15735%0.349CS..Hα-helixtrans-60-40.8177.500000110.6Y45 G51 V52 D105Y45-A48 HydrophobicContact CD1-CB 4.33Å; Y45-A48 PolarHBondContact O-N 3.16Å; A48-G51 PolarHBondContact O-N 3.39Å; A48-V52 WeakPolarHBondContact O-CG2 3.32Å; A48-V52 PolarHBondContact O-N 3.03Å; A48-D105 HydrophobicContact CB-CB 4.26Å; A48-D105 PolarHBondContact N-OD2 3.09Å
49I90.6Very high81.5Confident95 Ų9557.9 Ų57.949%0.48732%0.321SS..Hα-helixtrans-60.7-46.1173.1-65.4166.4000110.8Y45 N47 G51 V52 A53Y45-I49 WeakPolarHBondContact O-CG1 3.35Å; Y45-I49 PolarHBondContact O-N 2.89Å; N47-I49 VanDerWaalsContact C-N 3.25Å; N47-I49 PolarHBondContact O-N 3.34Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 2.93Å; I49-V52 PolarHBondContact O-N 3.24Å; I49-A53 WeakPolarHBondContact O-CB 3.49Å; I49-A53 PolarHBondContact O-N 2.88Å
50V92.9Very high83Confident66 Ų6661.6 Ų61.640%0.434%0.343SS..Hα-helixtrans-59.8-43.8175170.40000111.3A46 N47 V52 A53 I54A46-V50 WeakPolarHBondContact O-CG2 3.35Å; A46-V50 PolarHBondContact O-N 3.47Å; A46-V50 VanDerWaalsContact O-N 3.16Å; N47-V50 CarbonylContact O-C 3.36Å; N47-V50 WeakPolarHBondContact O-CA 3.41Å; N47-V50 WeakPolarHBondContact O-CB 3.41Å; N47-V50 PolarHBondContact O-N 3.34Å; N47-V50 VanDerWaalsContact O-N 3.09Å; V50-V52 PolarHBondContact O-N 3.47Å; V50-A53 PolarHBondContact O-N 3.38Å; V50-I54 HydrophobicContact CG1-CD1 3.81Å; V50-I54 HydrophobicContact CG1-CG1 4.37Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.49Å; V50-I54 PolarHBondContact O-N 3.47Å
51G94.3Very high84.5Confident0 Ų056 Ų560%033%0.325CS..Hα-helixtrans-61.9-44.1177.600000112.4N47 A48 I49 I54 A55 A98N47-G51 PolarHBondContact O-N 2.86Å; A48-G51 PolarHBondContact O-N 3.39Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 2.93Å; G51-I54 PolarHBondContact O-N 3.38Å; G51-A55 WeakPolarHBondContact O-CB 3.32Å; G51-A55 PolarHBondContact O-N 2.96Å; G51-A98 WeakPolarHBondContact O-CB 3.47Å
52V93.4Very high86.1Confident52 Ų5255.6 Ų55.632%0.31532%0.323SS..Hα-helixtrans-62.8-42.91741740000111A48 I49 V50 I54 A55 L56 I102 F159A48-V52 WeakPolarHBondContact O-CG2 3.32Å; A48-V52 PolarHBondContact O-N 3.03Å; I49-V52 PolarHBondContact O-N 3.24Å; V50-V52 PolarHBondContact O-N 3.47Å; V52-I54 PolarHBondContact O-N 2.7Å; V52-A55 PolarHBondContact O-N 3.3Å; V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 HydrophobicContact CG1-CG 4.42Å; V52-L56 WeakPolarHBondContact O-CG 3.5Å; V52-L56 PolarHBondContact O-N 3Å; V52-I102 HydrophobicContact CG2-CD1 4.4Å; V52-F159 HydrophobicContact CG2-CE1 4.3Å
53A94.1Very high87.7Confident55 Ų5554.4 Ų54.446%0.45532%0.318SS..Hα-helixtrans-61.8-42.2176.800000112.1I49 V50 L56 A57I49-A53 WeakPolarHBondContact O-CB 3.49Å; I49-A53 PolarHBondContact O-N 2.88Å; V50-A53 PolarHBondContact O-N 3.38Å; A53-L56 PolarHBondContact O-N 2.95Å; A53-A57 WeakPolarHBondContact O-CB 3.48Å; A53-A57 PolarHBondContact O-N 2.94Å
54I94.6Very high89.1Confident34 Ų3449.8 Ų49.817%0.17430%0.297CS..Hα-helixtrans-61.2-46.7174-67.6165.4000110.2V50 G51 V52 L56 A57 V58 V94 L97 A98V50-I54 HydrophobicContact CG1-CD1 3.81Å; V50-I54 HydrophobicContact CG1-CG1 4.37Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.49Å; V50-I54 PolarHBondContact O-N 3.47Å; G51-I54 PolarHBondContact O-N 3.38Å; V52-I54 PolarHBondContact O-N 2.7Å; I54-L56 VanDerWaalsContact C-N 3.31Å; I54-L56 PolarHBondContact O-N 2.83Å; I54-A57 PolarHBondContact O-N 3.37Å; I54-V58 HydrophobicContact CG2-CG2 4.41Å; I54-V58 WeakPolarHBondContact O-CG2 3.33Å; I54-V58 PolarHBondContact O-N 3Å; I54-V94 HydrophobicContact CG2-CG1 3.66Å; I54-L97 HydrophobicContact CD1-CD2 4.31Å; I54-L97 HydrophobicContact CD1-CG 4.38Å; I54-A98 HydrophobicContact CB-CB 4.12Å; I54-A98 HydrophobicContact CG2-CB 3.97Å
55A93.8Very high89.9Confident1 Ų154 Ų541%0.00832%0.316CS..Hα-helixtrans-60.5-40.4179.500000112.4G51 V52 Q59 A98 W155 V158G51-A55 WeakPolarHBondContact O-CB 3.32Å; G51-A55 PolarHBondContact O-N 2.96Å; V52-A55 PolarHBondContact O-N 3.3Å; A55-Q59 PolarHBondContact O-N 3.27Å; A55-A98 HydrophobicContact CB-CB 4.1Å; A55-W155 HydrophobicContact CB-CB 4.32Å; A55-V158 HydrophobicContact CB-CB 4.26Å; A55-V158 HydrophobicContact CB-CG1 4.21Å; A55-V158 HydrophobicContact CB-CG2 4.13Å
56L93.4Very high90.5Very high80 Ų8060.7 Ų60.742%0.41935%0.348SS..Hα-helixtrans-69.4-40.5174.9-68.3174.7000112.1V52 A53 I54 V58 Q59 V60 W155V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 HydrophobicContact CG1-CG 4.42Å; V52-L56 WeakPolarHBondContact O-CG 3.5Å; V52-L56 PolarHBondContact O-N 3Å; A53-L56 PolarHBondContact O-N 2.95Å; I54-L56 VanDerWaalsContact C-N 3.31Å; I54-L56 PolarHBondContact O-N 2.83Å; L56-V58 VanDerWaalsContact C-N 3.34Å; L56-V58 PolarHBondContact O-N 3.36Å; L56-Q59 WeakPolarHBondContact O-CB 3.32Å; L56-Q59 PolarHBondContact O-N 3.04Å; L56-Q59 VanDerWaalsContact O-N 3.14Å; L56-V60 WeakPolarHBondContact O-CG2 3.44Å; L56-V60 PolarHBondContact O-N 3.44Å; L56-W155 HydrophobicContact CD2-CE3 4.09Å
57A92.4Very high90.6Very high60 Ų6060 Ų6050%0.49634%0.338SS..Hα-helixtrans-62.5-41.617600000111.8A53 I54 Q59 V60 F61A53-A57 WeakPolarHBondContact O-CB 3.48Å; A53-A57 PolarHBondContact O-N 2.94Å; I54-A57 PolarHBondContact O-N 3.37Å; A57-Q59 VanDerWaalsContact C-N 3.31Å; A57-Q59 PolarHBondContact O-N 3.44Å; A57-V60 PolarHBondContact O-N 2.55Å; A57-F61 WeakPolarHBondContact O-CB 3.49Å; A57-F61 PolarHBondContact O-N 3.25Å
58V91.6Very high90.5Very high12 Ų1262 Ų627%0.07335%0.346CS..Hα-helixtrans-60.6-43.1172.1170.20000110.4I54 L56 V60 F61 L62 V94I54-V58 HydrophobicContact CG2-CG2 4.41Å; I54-V58 WeakPolarHBondContact O-CG2 3.33Å; I54-V58 PolarHBondContact O-N 3Å; L56-V58 VanDerWaalsContact C-N 3.34Å; L56-V58 PolarHBondContact O-N 3.36Å; V58-V60 PolarHBondContact O-N 3.37Å; V58-F61 PolarHBondContact O-N 3.38Å; V58-L62 HydrophobicContact CG1-CD1 3.53Å; V58-L62 HydrophobicContact CG1-CG 4.3Å; V58-L62 WeakPolarHBondContact O-CB 2.89Å; V58-L62 WeakPolarHBondContact O-CD1 3.48Å; V58-L62 WeakPolarHBondContact O-CG 3.31Å; V58-L62 PolarHBondContact O-N 3.28Å; V58-V94 HydrophobicContact CG2-CB 3.89Å; V58-V94 HydrophobicContact CG2-CG1 3.36Å
59Q91.5Very high90.3Very high31 Ų3168.1 Ų68.115%0.14537%0.372CS..Hα-helixtrans-61-45.3176.8177.956.62300112.2A55 L56 A57 F61 L62 Q63 W155A55-Q59 PolarHBondContact O-N 3.27Å; L56-Q59 WeakPolarHBondContact O-CB 3.32Å; L56-Q59 PolarHBondContact O-N 3.04Å; L56-Q59 VanDerWaalsContact O-N 3.14Å; A57-Q59 VanDerWaalsContact C-N 3.31Å; A57-Q59 PolarHBondContact O-N 3.44Å; Q59-F61 VanDerWaalsContact C-N 3.34Å; Q59-F61 PolarHBondContact O-N 3.45Å; Q59-L62 CarbonylContact O-C 3.52Å; Q59-L62 PolarHBondContact O-N 2.96Å; Q59-Q63 WeakPolarHBondContact O-CG 3.42Å; Q59-Q63 PolarHBondContact O-N 3.49Å; Q59-Q63 VanDerWaalsContact O-N 3.17Å; Q59-W155 HydrophobicContact CB-CB 4.28Å; Q59-W155 HydrophobicContact CB-CG 3.99Å; Q59-W155 HydrophobicContact CG-CD2 4.19Å; Q59-W155 HydrophobicContact CG-CG 4.04Å; Q59-W155 VanDerWaalsContact OE1-NE1 3.12Å
60V91.4Very high90.2Very high95 Ų9569.2 Ų69.258%0.57637%0.371SS*.Hα-helixtrans-61.8-43.2177.2172.20000110.9L56 A57 V58 L62 Q63L56-V60 WeakPolarHBondContact O-CG2 3.44Å; L56-V60 PolarHBondContact O-N 3.44Å; A57-V60 PolarHBondContact O-N 2.55Å; V58-V60 PolarHBondContact O-N 3.37Å; V60-L62 VanDerWaalsContact C-N 3.26Å; V60-L62 PolarHBondContact O-N 2.91Å; V60-Q63 WeakPolarHBondContact O-CB 3.42Å; V60-Q63 PolarHBondContact O-N 3.24Å
61F89.8Confident89.9Confident127 Ų12766.2 Ų66.256%0.55735%0.353SS*.Hα-helixtrans-60-37.2175.6177.2-103.9000112.5A57 V58 Q59 Q63 V67A57-F61 WeakPolarHBondContact O-CB 3.49Å; A57-F61 PolarHBondContact O-N 3.25Å; V58-F61 PolarHBondContact O-N 3.38Å; Q59-F61 VanDerWaalsContact C-N 3.34Å; Q59-F61 PolarHBondContact O-N 3.45Å; F61-Q63 VanDerWaalsContact C-N 3.32Å; F61-Q63 PolarHBondContact O-N 3.05Å; F61-V67 HydrophobicContact CD1-CG1 4.47Å; F61-V67 HydrophobicContact CE1-CG1 3.89Å; F61-V67 HydrophobicContact CZ-CG1 4.22Å
62L88.3Confident89.5Confident3 Ų370.6 Ų70.62%0.01637%0.372CS..THydrogen-bonded Turntrans-83.1-1.2-179.7-67.4166000114.4V58 Q59 V60 G64 V67 Q68 L71 V91 I152V58-L62 HydrophobicContact CG1-CD1 3.53Å; V58-L62 HydrophobicContact CG1-CG 4.3Å; V58-L62 WeakPolarHBondContact O-CB 2.89Å; V58-L62 WeakPolarHBondContact O-CD1 3.48Å; V58-L62 WeakPolarHBondContact O-CG 3.31Å; V58-L62 PolarHBondContact O-N 3.28Å; Q59-L62 CarbonylContact O-C 3.52Å; Q59-L62 PolarHBondContact O-N 2.96Å; V60-L62 VanDerWaalsContact C-N 3.26Å; V60-L62 PolarHBondContact O-N 2.91Å; L62-G64 PolarHBondContact O-N 3.31Å; L62-V67 HydrophobicContact CD2-CG1 4.3Å; L62-Q68 VanDerWaalsContact O-CG 3.22Å; L62-Q68 WeakPolarHBondContact O-CG 3.38Å; L62-Q68 PolarHBondContact O-NE2 3.32Å; L62-L71 HydrophobicContact CD2-CD1 3.46Å; L62-L71 VanDerWaalsContact CD2-CD1 3.46Å; L62-V91 HydrophobicContact CD2-CG1 4.33Å; L62-I152 HydrophobicContact CD1-CG2 3.27Å; L62-I152 HydrophobicContact CD2-CG2 3.65Å; L62-I152 HydrophobicContact CG-CG2 4.09Å
63Q87.2Confident89.2Confident126 Ų12671.6 Ų71.659%0.58937%0.373SS*.THydrogen-bonded Turntrans-71.1-16.6176.6-80.1177.7-32.800113Q59 V60 F61 D65Q59-Q63 WeakPolarHBondContact O-CG 3.42Å; Q59-Q63 PolarHBondContact O-N 3.49Å; Q59-Q63 VanDerWaalsContact O-N 3.17Å; V60-Q63 WeakPolarHBondContact O-CB 3.42Å; V60-Q63 PolarHBondContact O-N 3.24Å; F61-Q63 VanDerWaalsContact C-N 3.32Å; F61-Q63 PolarHBondContact O-N 3.05Å; Q63-D65 PolarHBondContact O-N 2.88Å
64G86.1Confident88.8Confident32 Ų3274.7 Ų74.733%0.3338%0.378SS..  trans-72.1120.4175.700000111.7L62 E66 V67 Q68L62-G64 PolarHBondContact O-N 3.31Å; G64-E66 VanDerWaalsContact C-N 3.25Å; G64-E66 PolarHBondContact O-N 3.46Å; G64-V67 WeakPolarHBondContact O-CB 3.39Å; G64-V67 PolarHBondContact O-N 3.15Å; G64-Q68 PolarHBondContact O-N 3.25Å; G64-Q68 VanDerWaalsContact O-N 3.09Å
65D84Confident88.2Confident132 Ų13278.6 Ų78.671%0.70640%0.399SS*.Hα-helixtrans-55.8-40.5177.9-67.2-30.7000111.8Q63 V67 Q68 E69Q63-D65 PolarHBondContact O-N 2.88Å; D65-V67 VanDerWaalsContact C-N 3.3Å; D65-V67 PolarHBondContact O-N 3.43Å; D65-Q68 PolarHBondContact O-N 2.96Å; D65-E69 WeakPolarHBondContact O-CB 3.46Å; D65-E69 PolarHBondContact O-N 2.48Å
66E88Confident87.7Confident166 Ų16689.3 Ų89.378%0.77644%0.439SS*.Hα-helixtrans-61.1-37.5176.7-63.1-177.2177.100112.6G64 Y70G64-E66 VanDerWaalsContact C-N 3.25Å; G64-E66 PolarHBondContact O-N 3.46Å; E66-Y70 WeakPolarHBondContact O-CB 3.42Å; E66-Y70 PolarHBondContact O-N 2.92Å
67V86.4Confident87.3Confident41 Ų4193 Ų9325%0.24845%0.448CS..Hα-helixtrans-70.1-41.1178.3-179.70000109.8F61 L62 G64 D65 L71F61-V67 HydrophobicContact CD1-CG1 4.47Å; F61-V67 HydrophobicContact CE1-CG1 3.89Å; F61-V67 HydrophobicContact CZ-CG1 4.22Å; L62-V67 HydrophobicContact CD2-CG1 4.3Å; G64-V67 WeakPolarHBondContact O-CB 3.39Å; G64-V67 PolarHBondContact O-N 3.15Å; D65-V67 VanDerWaalsContact C-N 3.3Å; D65-V67 PolarHBondContact O-N 3.43Å; V67-L71 HydrophobicContact CG1-CD1 3.93Å; V67-L71 HydrophobicContact CG1-CG 4.46Å; V67-L71 WeakPolarHBondContact O-CB 3.35Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.35Å
68Q86.8Confident87Confident74 Ų7491.5 Ų91.535%0.34643%0.43SS..Hα-helixtrans-66.9-45.6176.9-65.9-164.6-8.300111.8L62 G64 D65 Y70 L71 F72L62-Q68 VanDerWaalsContact O-CG 3.22Å; L62-Q68 WeakPolarHBondContact O-CG 3.38Å; L62-Q68 PolarHBondContact O-NE2 3.32Å; G64-Q68 PolarHBondContact O-N 3.25Å; G64-Q68 VanDerWaalsContact O-N 3.09Å; D65-Q68 PolarHBondContact O-N 2.96Å; Q68-Y70 VanDerWaalsContact C-N 3.34Å; Q68-Y70 PolarHBondContact O-N 3.31Å; Q68-L71 PolarHBondContact O-N 3.48Å; Q68-F72 HydrophobicContact CB-CD2 4.29Å; Q68-F72 WeakPolarHBondContact O-CB 3.34Å; Q68-F72 VanDerWaalsContact O-CD2 3.25Å; Q68-F72 WeakPolarHBondContact O-CD2 3.46Å; Q68-F72 PolarHBondContact O-N 3.11Å
69E86.8Confident86.7Confident149 Ų14997.9 Ų97.970%0.69646%0.459SS*.Hα-helixtrans-61.4-44.7177.1-173.7175.6-174.500110.8D65 L71 F72 Q73D65-E69 WeakPolarHBondContact O-CB 3.46Å; D65-E69 PolarHBondContact O-N 2.48Å; E69-L71 PolarHBondContact O-N 3.46Å; E69-F72 PolarHBondContact O-N 3.44Å; E69-Q73 PolarHBondContact O-N 3.49Å
70Y87Confident86.4Confident117 Ų117104.4 Ų104.446%0.45950%0.495SS..Hα-helixtrans-57.7-49.7172.3-179.9-105.2000110.7E66 Q68 F72 R87E66-Y70 WeakPolarHBondContact O-CB 3.42Å; E66-Y70 PolarHBondContact O-N 2.92Å; Q68-Y70 VanDerWaalsContact C-N 3.34Å; Q68-Y70 PolarHBondContact O-N 3.31Å; Y70-F72 PolarHBondContact O-N 3.25Å; Y70-R87 VanDerWaalsContact CE1-CD 3.46Å; Y70-R87 PolarHBondContact O-NE 2.86Å; Y70-R87 PolarHBondContact O-NH1 3.12Å; Y70-R87 PolarHBondContact O-NH2 2.99Å
71L87.5Confident86.2Confident4 Ų4101.2 Ų101.22%0.02148%0.481CS..Hα-helixtrans-65.2-42.1-177.9-72.6169.7000113L62 V67 Q68 E69 R78 R87 V91 I152L62-L71 HydrophobicContact CD2-CD1 3.46Å; L62-L71 VanDerWaalsContact CD2-CD1 3.46Å; V67-L71 HydrophobicContact CG1-CD1 3.93Å; V67-L71 HydrophobicContact CG1-CG 4.46Å; V67-L71 WeakPolarHBondContact O-CB 3.35Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.35Å; Q68-L71 PolarHBondContact O-N 3.48Å; E69-L71 PolarHBondContact O-N 3.46Å; L71-R78 PolarHBondContact O-NH2 3.38Å; L71-R87 HydrophobicContact CD2-CB 4.29Å; L71-R87 HydrophobicContact CD2-CG 4.13Å; L71-V91 HydrophobicContact CD1-CG1 4.38Å; L71-V91 HydrophobicContact CD1-CG2 4.28Å; L71-V91 HydrophobicContact CD2-CB 4.39Å; L71-V91 HydrophobicContact CD2-CG2 3.72Å; L71-I152 HydrophobicContact CB-CD1 4.27Å; L71-I152 HydrophobicContact CD1-CD1 4.11Å
72F86Confident86.2Confident91 Ų91101.3 Ų101.340%0.39949%0.487SS..Hα-helixtrans-89.8-1.4-173.7-71.1-60.8000115.4Q68 E69 Y70 E74 I152Q68-F72 HydrophobicContact CB-CD2 4.29Å; Q68-F72 WeakPolarHBondContact O-CB 3.34Å; Q68-F72 VanDerWaalsContact O-CD2 3.25Å; Q68-F72 WeakPolarHBondContact O-CD2 3.46Å; Q68-F72 PolarHBondContact O-N 3.11Å; E69-F72 PolarHBondContact O-N 3.44Å; Y70-F72 PolarHBondContact O-N 3.25Å; F72-E74 PolarHBondContact O-N 3.45Å; F72-I152 HydrophobicContact CD1-CD1 4.41Å; F72-I152 HydrophobicContact CD2-CD1 4.15Å; F72-I152 HydrophobicContact CE1-CD1 3.67Å; F72-I152 HydrophobicContact CE1-CG1 4.12Å; F72-I152 HydrophobicContact CE2-CD1 3.36Å; F72-I152 HydrophobicContact CZ-CD1 3.1Å; F72-I152 HydrophobicContact CZ-CG1 3.91Å
73Q87.4Confident86.2Confident74 Ų74108.5 Ų108.535%0.34652%0.518SS..  trans-51.1136.3173.8-146.4-168.6-0.300111.2E69 Y77 R78E69-Q73 PolarHBondContact O-N 3.49Å; Q73-Y77 PolarHBondContact NE2-O 3.38Å; Q73-Y77 VanDerWaalsContact NE2-O 3.16Å; Q73-R78 PolarHBondContact O-NE 2.86Å; Q73-R78 PolarHBondContact O-NH2 2.94Å
74E85.1Confident86.2Confident120 Ų120102.8 Ų102.856%0.56149%0.492SS*.  trans-61.4148.3179.8-56.3-177167.400112F72 R76 Y77F72-E74 PolarHBondContact O-N 3.45Å; E74-R76 PolarHBondContact O-N 2.97Å; E74-Y77 HydrophobicContact CB-CD2 3.98Å; E74-Y77 HydrophobicContact CB-CE2 4.4Å; E74-Y77 PolarHBondContact O-N 3.27Å
75L81.9Confident86.3Confident116 Ų116104.6 Ų104.661%0.60749%0.494SS*.G310 helixtrans-53.5-32.5-177-166.471000113.2Y77 R78 L85L75-Y77 VanDerWaalsContact C-N 3.26Å; L75-Y77 PolarHBondContact O-N 3.44Å; L75-R78 PolarHBondContact O-N 2.95Å; L75-L85 HydrophobicContact CD1-CD2 3.77Å
76R82.5Confident86.6Confident225 Ų225102.4 Ų102.485%0.84948%0.482SS*.G310 helixtrans-66.4-25.8-179.1-64.9-177.1-177.1-175.32.3113.8E74E74-R76 PolarHBondContact O-N 2.97Å
77Y85Confident86.7Confident159 Ų15995.1 Ų95.162%0.62445%0.447SS*.G310 helixtrans-101.21.9-179.2-57.2-70.3000112.6Q73 E74 L75Q73-Y77 PolarHBondContact NE2-O 3.38Å; Q73-Y77 VanDerWaalsContact NE2-O 3.16Å; E74-Y77 HydrophobicContact CB-CD2 3.98Å; E74-Y77 HydrophobicContact CB-CE2 4.4Å; E74-Y77 PolarHBondContact O-N 3.27Å; L75-Y77 VanDerWaalsContact C-N 3.26Å; L75-Y77 PolarHBondContact O-N 3.44Å
78R86.3Confident86.8Confident27 Ų2794.6 Ų94.610%0.10244%0.443CS..SBendtrans-77.4143178.2-63.6-166-170.1176.8-3.3110.5L71 Q73 L75 S84 L85 E88L71-R78 PolarHBondContact O-NH2 3.38Å; Q73-R78 PolarHBondContact O-NE 2.86Å; Q73-R78 PolarHBondContact O-NH2 2.94Å; L75-R78 PolarHBondContact O-N 2.95Å; R78-S84 WeakPolarHBondContact CD-O 3.36Å; R78-L85 HydrophobicContact CB-CD2 4.28Å; R78-L85 PolarHBondContact NH1-O 3.42Å; R78-E88 IonicContact CZ-OE1 3.61Å; R78-E88 IonicContact NH1-OE1 3.7Å; R78-E88 IonicContact NH2-OE1 2.67Å; R78-E88 PolarHBondContact NH2-OE1 3.25Å
79E85Confident86.9Confident147 Ų14792.8 Ų92.869%0.68744%0.444SS*.  trans-61.3146.5169.8-62175.4177.500110.6G81 S84E79-G81 PolarHBondContact O-N 2.98Å; E79-S84 PolarHBondContact N-OG 3.03Å; E79-S84 WeakPolarHBondContact O-CB 3.32Å; E79-S84 PolarHBondContact O-OG 3.22Å; E79-S84 VanDerWaalsContact O-OG 3.04Å
80N85.9Confident87.1Confident168 Ų16889.8 Ų89.890%0.89843%0.432SS*.SBendtrans-73.240.5179.8-70.5-34.5000113.5
81G87.8Confident87.2Confident28 Ų2885.6 Ų85.629%0.28942%0.418SS..  trans-104.4141.7175.500000111.5E79 F83 S84 L85E79-G81 PolarHBondContact O-N 2.98Å; G81-F83 PolarHBondContact O-N 3.37Å; G81-S84 PolarHBondContact O-N 2.95Å; G81-S84 VanDerWaalsContact O-N 3.12Å; G81-L85 WeakPolarHBondContact O-CG 3.49Å; G81-L85 PolarHBondContact O-N 2.8Å
82L88.6Confident87.5Confident129 Ų12986.3 Ų86.368%0.67542%0.423SS*.Hα-helixtrans-55.9-38.2177.8-172.6125.9000112.3N86L82-N86 WeakPolarHBondContact O-CB 3.36Å; L82-N86 PolarHBondContact O-N 3.33Å; L82-N86 PolarHBondContact O-ND2 3.45Å
83F88.4Confident87.8Confident154 Ų15486.4 Ų86.468%0.67543%0.431SS*.Hα-helixtrans-69.6-45.6175.9-65.6-77.6000112.5G81 L85 N86 R87 I90G81-F83 PolarHBondContact O-N 3.37Å; F83-L85 VanDerWaalsContact C-N 3.29Å; F83-L85 PolarHBondContact O-N 2.94Å; F83-N86 CarbonylContact O-C 3.59Å; F83-N86 PolarHBondContact O-N 3.31Å; F83-R87 WeakPolarHBondContact O-CA 3.43Å; F83-R87 WeakPolarHBondContact O-CB 3.48Å; F83-R87 PolarHBondContact O-N 3.37Å; F83-I90 HydrophobicContact CD1-CD1 3.77Å
84S88.1Confident88.1Confident6 Ų685.9 Ų85.94%0.04243%0.433CS..Hα-helixtrans-58.2-42.1177.3172.10000111.5R78 E79 G81 N86 R87R78-S84 WeakPolarHBondContact CD-O 3.36Å; E79-S84 PolarHBondContact N-OG 3.03Å; E79-S84 WeakPolarHBondContact O-CB 3.32Å; E79-S84 PolarHBondContact O-OG 3.22Å; E79-S84 VanDerWaalsContact O-OG 3.04Å; G81-S84 PolarHBondContact O-N 2.95Å; G81-S84 VanDerWaalsContact O-N 3.12Å; S84-N86 PolarHBondContact O-N 2.88Å; S84-R87 WeakPolarHBondContact O-CD 3.22Å; S84-R87 WeakPolarHBondContact O-CG 3.42Å
85L88.5Confident88.5Confident69 Ų6980.2 Ų80.236%0.36141%0.406SS..Hα-helixtrans-69.6-33.3178.8-65.7173.2000112.9L75 R78 G81 F83L75-L85 HydrophobicContact CD1-CD2 3.77Å; R78-L85 HydrophobicContact CB-CD2 4.28Å; R78-L85 PolarHBondContact NH1-O 3.42Å; G81-L85 WeakPolarHBondContact O-CG 3.49Å; G81-L85 PolarHBondContact O-N 2.8Å; F83-L85 VanDerWaalsContact C-N 3.29Å; F83-L85 PolarHBondContact O-N 2.94Å
86N88.9Confident89Confident87 Ų8777.7 Ų77.747%0.46540%0.398SS..Hα-helixtrans-105.410.2-175.7-65.5-64.9000114.6L82 F83 S84 E88 G89 I90L82-N86 WeakPolarHBondContact O-CB 3.36Å; L82-N86 PolarHBondContact O-N 3.33Å; L82-N86 PolarHBondContact O-ND2 3.45Å; F83-N86 CarbonylContact O-C 3.59Å; F83-N86 PolarHBondContact O-N 3.31Å; S84-N86 PolarHBondContact O-N 2.88Å; N86-E88 VanDerWaalsContact C-N 3.31Å; N86-E88 PolarHBondContact O-N 3.47Å; N86-G89 WeakPolarHBondContact O-CA 3.27Å; N86-G89 PolarHBondContact O-N 3.02Å; N86-I90 WeakPolarHBondContact O-CG1 3.47Å; N86-I90 PolarHBondContact O-N 3.37Å
87R89.8Confident89.6Confident12 Ų1270.8 Ų70.85%0.04538%0.377CS..Hα-helixtrans-56.7-39-17463.8-172.9175-157.1-0.8114.4Y70 L71 F83 S84 G89 I90 V91Y70-R87 VanDerWaalsContact CE1-CD 3.46Å; Y70-R87 PolarHBondContact O-NE 2.86Å; Y70-R87 PolarHBondContact O-NH1 3.12Å; Y70-R87 PolarHBondContact O-NH2 2.99Å; L71-R87 HydrophobicContact CD2-CB 4.29Å; L71-R87 HydrophobicContact CD2-CG 4.13Å; F83-R87 WeakPolarHBondContact O-CA 3.43Å; F83-R87 WeakPolarHBondContact O-CB 3.48Å; F83-R87 PolarHBondContact O-N 3.37Å; S84-R87 WeakPolarHBondContact O-CD 3.22Å; S84-R87 WeakPolarHBondContact O-CG 3.42Å; R87-G89 VanDerWaalsContact C-N 3.33Å; R87-G89 PolarHBondContact O-N 3.31Å; R87-I90 PolarHBondContact O-N 3.48Å; R87-V91 PolarHBondContact O-N 3.16Å
88E89.5Confident90.1Very high31 Ų3163.2 Ų63.215%0.14535%0.347CS..Hα-helixtrans-58.6-47.7174.1-68.6-179.2-158.100110.8R78 N86 I90 V91 S92 R151R78-E88 IonicContact CZ-OE1 3.61Å; R78-E88 IonicContact NH1-OE1 3.7Å; R78-E88 IonicContact NH2-OE1 2.67Å; R78-E88 PolarHBondContact NH2-OE1 3.25Å; N86-E88 VanDerWaalsContact C-N 3.31Å; N86-E88 PolarHBondContact O-N 3.47Å; E88-I90 PolarHBondContact O-N 2.95Å; E88-V91 PolarHBondContact O-N 3.35Å; E88-S92 WeakPolarHBondContact O-CB 3.4Å; E88-S92 PolarHBondContact O-N 3.01Å; E88-S92 PolarHBondContact O-OG 3.18Å; E88-R151 CarbonylContact C-O 3.41Å; E88-R151 WeakPolarHBondContact OE2-CB 3.41Å; E88-R151 WeakPolarHBondContact OE2-CD 3.38Å; E88-R151 WeakPolarHBondContact OE2-CG 3.31Å
89G89.2Confident90.5Very high36 Ų3663.6 Ų63.637%0.37135%0.351SS..Hα-helixtrans-57.9-48.6176.700000111.7N86 R87 V91 S92 V93N86-G89 WeakPolarHBondContact O-CA 3.27Å; N86-G89 PolarHBondContact O-N 3.02Å; R87-G89 VanDerWaalsContact C-N 3.33Å; R87-G89 PolarHBondContact O-N 3.31Å; G89-V91 PolarHBondContact O-N 3.3Å; G89-S92 WeakPolarHBondContact CA-OG 3.41Å; G89-S92 PolarHBondContact O-N 2.76Å; G89-S92 PolarHBondContact O-OG 3.25Å; G89-V93 WeakPolarHBondContact O-CG2 3.45Å; G89-V93 PolarHBondContact O-N 3.5Å; G89-V93 VanDerWaalsContact O-N 3.14Å
90I89.8Confident90.9Very high86 Ų8662.5 Ų62.544%0.44134%0.344SS..Hα-helixtrans-59.7-46.7-179.6-64168.5000111.4F83 N86 R87 E88 S92 V93F83-I90 HydrophobicContact CD1-CD1 3.77Å; N86-I90 WeakPolarHBondContact O-CG1 3.47Å; N86-I90 PolarHBondContact O-N 3.37Å; R87-I90 PolarHBondContact O-N 3.48Å; E88-I90 PolarHBondContact O-N 2.95Å; I90-S92 VanDerWaalsContact C-N 3.33Å; I90-S92 PolarHBondContact O-N 3.04Å; I90-V93 WeakPolarHBondContact O-CB 3.34Å; I90-V93 PolarHBondContact O-N 3.5Å
91V90.5Very high91.3Very high28 Ų2856.3 Ų56.317%0.1731%0.31CS..Hα-helixtrans-64.9-39.9177.7174.40000111L62 L71 R87 E88 G89 V93 V94 I152L62-V91 HydrophobicContact CD2-CG1 4.33Å; L71-V91 HydrophobicContact CD1-CG1 4.38Å; L71-V91 HydrophobicContact CD1-CG2 4.28Å; L71-V91 HydrophobicContact CD2-CB 4.39Å; L71-V91 HydrophobicContact CD2-CG2 3.72Å; R87-V91 PolarHBondContact O-N 3.16Å; E88-V91 PolarHBondContact O-N 3.35Å; G89-V91 PolarHBondContact O-N 3.3Å; V91-V93 PolarHBondContact O-N 3.18Å; V91-V94 PolarHBondContact O-N 3.09Å; V91-V94 VanDerWaalsContact O-N 3.17Å; V91-I152 HydrophobicContact CG1-CG2 3.89Å
92S92.7Very high91.6Very high20 Ų2055.7 Ų55.714%0.1430%0.3CS..Hα-helixtrans-64.7-23.3179.774.10000114.2E88 G89 I90 V94 G95 C96 I152E88-S92 WeakPolarHBondContact O-CB 3.4Å; E88-S92 PolarHBondContact O-N 3.01Å; E88-S92 PolarHBondContact O-OG 3.18Å; G89-S92 WeakPolarHBondContact CA-OG 3.41Å; G89-S92 PolarHBondContact O-N 2.76Å; G89-S92 PolarHBondContact O-OG 3.25Å; I90-S92 VanDerWaalsContact C-N 3.33Å; I90-S92 PolarHBondContact O-N 3.04Å; S92-V94 PolarHBondContact O-N 3.37Å; S92-G95 PolarHBondContact O-N 3.13Å; S92-G95 VanDerWaalsContact O-N 3.12Å; S92-C96 PolarHBondContact O-N 3.26Å; S92-C96 PolarHBondContact O-SG 3.18Å; S92-C96 VanDerWaalsContact O-SG 3.35Å; S92-I152 WeakPolarHBondContact CA-O 3.32Å
93V92.9Very high91.8Very high92 Ų9252 Ų5256%0.55829%0.289SS*.Hα-helixtrans-56.8-37.5174.3171.30000111.2G89 I90 V91 C96 L97G89-V93 WeakPolarHBondContact O-CG2 3.45Å; G89-V93 PolarHBondContact O-N 3.5Å; G89-V93 VanDerWaalsContact O-N 3.14Å; I90-V93 WeakPolarHBondContact O-CB 3.34Å; I90-V93 PolarHBondContact O-N 3.5Å; V91-V93 PolarHBondContact O-N 3.18Å; V93-C96 WeakPolarHBondContact O-CB 3.44Å; V93-C96 PolarHBondContact O-N 3.17Å; V93-L97 PolarHBondContact O-N 2.94Å
94V93.2Very high91.9Very high64 Ų6446.4 Ų46.439%0.38827%0.267SS..Hα-helixtrans-68.9-39.9179-171.60000110.9I54 V58 V91 S92 L97 A98I54-V94 HydrophobicContact CG2-CG1 3.66Å; V58-V94 HydrophobicContact CG2-CB 3.89Å; V58-V94 HydrophobicContact CG2-CG1 3.36Å; V91-V94 PolarHBondContact O-N 3.09Å; V91-V94 VanDerWaalsContact O-N 3.17Å; S92-V94 PolarHBondContact O-N 3.37Å; V94-L97 WeakPolarHBondContact O-CB 3.15Å; V94-L97 PolarHBondContact O-N 3.18Å; V94-A98 PolarHBondContact O-N 3.41Å; V94-A98 VanDerWaalsContact O-N 3.13Å
95G93.2Very high91.9Very high0 Ų046.2 Ų46.20%027%0.265CS..Hα-helixtrans-63.6-40171.600000112.7S92 L97 A98 I99 A153S92-G95 PolarHBondContact O-N 3.13Å; S92-G95 VanDerWaalsContact O-N 3.12Å; G95-L97 VanDerWaalsContact C-N 3.3Å; G95-L97 PolarHBondContact O-N 3.23Å; G95-A98 WeakPolarHBondContact O-CB 3.32Å; G95-A98 PolarHBondContact O-N 2.67Å; G95-I99 WeakPolarHBondContact O-CG1 3.41Å; G95-I99 PolarHBondContact O-N 3.12Å; G95-I99 VanDerWaalsContact O-N 3.1Å; G95-A153 WeakPolarHBondContact CA-O 3.33Å
96C93.6Very high91.8Very high63 Ų6343.5 Ų43.543%0.42625%0.252SS..Hα-helixtrans-64-35173.7-69.70000112.3S92 V93 A98 I99 F100S92-C96 PolarHBondContact O-N 3.26Å; S92-C96 PolarHBondContact O-SG 3.18Å; S92-C96 VanDerWaalsContact O-SG 3.35Å; V93-C96 WeakPolarHBondContact O-CB 3.44Å; V93-C96 PolarHBondContact O-N 3.17Å; C96-A98 VanDerWaalsContact C-N 3.33Å; C96-I99 WeakPolarHBondContact O-CB 3.36Å; C96-I99 PolarHBondContact O-N 3.27Å; C96-F100 PolarHBondContact O-N 3.38Å
97L94.5Very high91.6Very high80 Ų8041.2 Ų41.242%0.41925%0.248SC..Hα-helixtrans-64.1-38.5173.5-176.465.1000111.5I54 V93 V94 G95 F100 H101I54-L97 HydrophobicContact CD1-CD2 4.31Å; I54-L97 HydrophobicContact CD1-CG 4.38Å; V93-L97 PolarHBondContact O-N 2.94Å; V94-L97 WeakPolarHBondContact O-CB 3.15Å; V94-L97 PolarHBondContact O-N 3.18Å; G95-L97 VanDerWaalsContact C-N 3.3Å; G95-L97 PolarHBondContact O-N 3.23Å; L97-F100 HydrophobicContact CD1-CD1 4.36Å; L97-F100 WeakPolarHBondContact O-CB 3.49Å; L97-F100 PolarHBondContact O-N 3.2Å; L97-H101 PolarHBondContact O-CD2 3.25Å; L97-H101 VanDerWaalsContact O-CD2 3.28Å; L97-H101 PolarHBondContact O-N 2.85Å
98A95.5Very high91.3Very high0 Ų046.9 Ų46.90%027%0.27CS..Hα-helixtrans-60.9-45.4172.300000112G51 I54 A55 V94 G95 C96 F100 H101 I102 V158G51-A98 WeakPolarHBondContact O-CB 3.47Å; I54-A98 HydrophobicContact CB-CB 4.12Å; I54-A98 HydrophobicContact CG2-CB 3.97Å; A55-A98 HydrophobicContact CB-CB 4.1Å; V94-A98 PolarHBondContact O-N 3.41Å; V94-A98 VanDerWaalsContact O-N 3.13Å; G95-A98 WeakPolarHBondContact O-CB 3.32Å; G95-A98 PolarHBondContact O-N 2.67Å; C96-A98 VanDerWaalsContact C-N 3.33Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-F100 PolarHBondContact O-N 3.44Å; A98-H101 PolarHBondContact O-N 3.1Å; A98-I102 WeakPolarHBondContact O-CG1 3.27Å; A98-I102 PolarHBondContact O-N 2.61Å; A98-I102 VanDerWaalsContact O-N 3.11Å; A98-V158 HydrophobicContact CB-CG1 4.16Å; A98-V158 HydrophobicContact CB-CG2 4.21Å
99I94.8Very high90.8Very high36 Ų3645.6 Ų45.619%0.18526%0.264CS..Hα-helixtrans-59.1-45.5175.5-64.1167.4000110.3G95 C96 H101 I102 A103 Y157 V158 I161G95-I99 WeakPolarHBondContact O-CG1 3.41Å; G95-I99 PolarHBondContact O-N 3.12Å; G95-I99 VanDerWaalsContact O-N 3.1Å; C96-I99 WeakPolarHBondContact O-CB 3.36Å; C96-I99 PolarHBondContact O-N 3.27Å; I99-H101 PolarHBondContact O-N 3.1Å; I99-I102 PolarHBondContact O-N 3.3Å; I99-A103 WeakPolarHBondContact O-CB 3.43Å; I99-A103 PolarHBondContact O-N 3.29Å; I99-Y157 HydrophobicContact CD1-CD1 4.2Å; I99-Y157 HydrophobicContact CD1-CE1 3.91Å; I99-V158 HydrophobicContact CG1-CB 4.28Å; I99-V158 HydrophobicContact CG1-CG1 3.96Å; I99-V158 HydrophobicContact CG1-CG2 4.13Å; I99-I161 HydrophobicContact CD1-CB 4.11Å; I99-I161 HydrophobicContact CD1-CG1 4.24Å; I99-I161 HydrophobicContact CD1-CG2 4.05Å; I99-I161 HydrophobicContact CG1-CG2 4.46Å; I99-I161 HydrophobicContact CG2-CG2 3.94Å
100F94.3Very high90.4Very high123 Ų12346.9 Ų46.954%0.53926%0.262SS..Hα-helixtrans-57-50.2177.7172.1-99.8000111.7C96 L97 A98 I102 A103 T104C96-F100 PolarHBondContact O-N 3.38Å; L97-F100 HydrophobicContact CD1-CD1 4.36Å; L97-F100 WeakPolarHBondContact O-CB 3.49Å; L97-F100 PolarHBondContact O-N 3.2Å; A98-F100 VanDerWaalsContact C-N 3.32Å; A98-F100 PolarHBondContact O-N 3.44Å; F100-I102 PolarHBondContact O-N 3.27Å; F100-A103 WeakPolarHBondContact O-CB 3.08Å; F100-A103 PolarHBondContact O-N 2.9Å; F100-A103 VanDerWaalsContact O-N 3.12Å; F100-T104 HydrophobicContact CD1-CG2 4.21Å; F100-T104 HydrophobicContact CD2-CG2 4.36Å; F100-T104 HydrophobicContact CE1-CG2 3.76Å; F100-T104 HydrophobicContact CE2-CG2 3.93Å; F100-T104 HydrophobicContact CG-CG2 4.5Å; F100-T104 HydrophobicContact CZ-CG2 3.61Å; F100-T104 WeakPolarHBondContact O-CG2 3.39Å; F100-T104 PolarHBondContact O-N 3.09Å
101H93.5Very high89.8Confident39 Ų3948.5 Ų48.518%0.18126%0.263CS..Hα-helixtrans-60.5-43.2179.9-85.4-67.6000112.8N47 L97 A98 I99 A103 T104N47-H101 HydrophobicContact CB-CB 4.27Å; N47-H101 WeakPolarHBondContact CB-O 3.36Å; N47-H101 WeakPolarHBondContact O-CB 3.26Å; L97-H101 PolarHBondContact O-CD2 3.25Å; L97-H101 VanDerWaalsContact O-CD2 3.28Å; L97-H101 PolarHBondContact O-N 2.85Å; A98-H101 PolarHBondContact O-N 3.1Å; I99-H101 PolarHBondContact O-N 3.1Å; H101-A103 VanDerWaalsContact C-N 3.33Å; H101-A103 PolarHBondContact O-N 3.33Å; H101-T104 PolarHBondContact O-N 3.11Å; H101-T104 PolarHBondContact O-OG1 3.46Å
102I93.8Very high88.8Confident14 Ų1447.5 Ų47.57%0.07226%0.258CS..Hα-helixtrans-60.7-44.9174.2-65.8168.1000110.5V52 A98 I99 F100 T104 D105 V106 V158 A162 F166V52-I102 HydrophobicContact CG2-CD1 4.4Å; A98-I102 WeakPolarHBondContact O-CG1 3.27Å; A98-I102 PolarHBondContact O-N 2.61Å; A98-I102 VanDerWaalsContact O-N 3.11Å; I99-I102 PolarHBondContact O-N 3.3Å; F100-I102 PolarHBondContact O-N 3.27Å; I102-T104 VanDerWaalsContact C-N 3.33Å; I102-T104 PolarHBondContact O-N 3.17Å; I102-D105 PolarHBondContact O-N 3Å; I102-V106 PolarHBondContact O-N 3.38Å; I102-V158 HydrophobicContact CD1-CG1 3.7Å; I102-A162 HydrophobicContact CG2-CB 4.45Å; I102-F166 HydrophobicContact CG2-CE1 4.25Å; I102-F166 HydrophobicContact CG2-CZ 3.72Å
103A92.6Very high87.5Confident53 Ų5347.8 Ų47.844%0.43826%0.26SS..Hα-helixtrans-62.8-37.1179.300000112.6I99 F100 H101 D105 V106 G107I99-A103 WeakPolarHBondContact O-CB 3.43Å; I99-A103 PolarHBondContact O-N 3.29Å; F100-A103 WeakPolarHBondContact O-CB 3.08Å; F100-A103 PolarHBondContact O-N 2.9Å; F100-A103 VanDerWaalsContact O-N 3.12Å; H101-A103 VanDerWaalsContact C-N 3.33Å; H101-A103 PolarHBondContact O-N 3.33Å; A103-D105 VanDerWaalsContact C-N 3.32Å; A103-D105 PolarHBondContact O-N 2.84Å; A103-V106 PolarHBondContact O-N 3.46Å; A103-G107 PolarHBondContact O-N 3.26Å
104T90.8Very high86.4Confident36 Ų3651.6 Ų51.622%0.22127%0.265CS..Hα-helixtrans-60.9-38.3179.959.80000113.1N47 F100 H101 I102 G107 R108N47-T104 WeakPolarHBondContact CB-OG1 3.48Å; N47-T104 PolarHBondContact ND2-OG1 2.86Å; N47-T104 VanDerWaalsContact ND2-OG1 3.16Å; F100-T104 HydrophobicContact CD1-CG2 4.21Å; F100-T104 HydrophobicContact CD2-CG2 4.36Å; F100-T104 HydrophobicContact CE1-CG2 3.76Å; F100-T104 HydrophobicContact CE2-CG2 3.93Å; F100-T104 HydrophobicContact CG-CG2 4.5Å; F100-T104 HydrophobicContact CZ-CG2 3.61Å; F100-T104 WeakPolarHBondContact O-CG2 3.39Å; F100-T104 PolarHBondContact O-N 3.09Å; H101-T104 PolarHBondContact O-N 3.11Å; H101-T104 PolarHBondContact O-OG1 3.46Å; I102-T104 VanDerWaalsContact C-N 3.33Å; I102-T104 PolarHBondContact O-N 3.17Å; T104-G107 PolarHBondContact O-N 2.91Å; T104-R108 WeakPolarHBondContact O-CG 3.39Å; T104-R108 PolarHBondContact O-N 3.45Å
105D88Confident85Confident1 Ų156.4 Ų56.41%0.00528%0.276CS..Hα-helixtrans-76.9-33.1179.8-77.1-9.2000112.5Y45 A46 N47 A48 I102 A103 G107 R108 L109Y45-D105 WeakPolarHBondContact CA-OD2 3.42Å; Y45-D105 HydrophobicContact CD1-CB 4.06Å; A46-D105 PolarHBondContact N-OD2 3.23Å; N47-D105 VanDerWaalsContact CA-OD2 3.31Å; N47-D105 WeakPolarHBondContact CA-OD2 3.08Å; N47-D105 WeakPolarHBondContact CB-OD1 3.36Å; N47-D105 WeakPolarHBondContact CB-OD2 3.37Å; N47-D105 PolarHBondContact N-OD2 2.82Å; N47-D105 PolarHBondContact ND2-OD1 3.34Å; A48-D105 HydrophobicContact CB-CB 4.26Å; A48-D105 PolarHBondContact N-OD2 3.09Å; I102-D105 PolarHBondContact O-N 3Å; A103-D105 VanDerWaalsContact C-N 3.32Å; A103-D105 PolarHBondContact O-N 2.84Å; D105-G107 VanDerWaalsContact C-N 3.33Å; D105-R108 PolarHBondContact O-N 3Å; D105-R108 IonicContact OD1-CZ 3.44Å; D105-R108 IonicContact OD1-NE 3.44Å; D105-R108 IonicContact OD1-NH1 3.98Å; D105-R108 PolarHBondContact OD1-NH1 2.9Å; D105-L109 PolarHBondContact O-N 3.47Å
106V86.2Confident83.4Confident13 Ų1362.4 Ų62.48%0.07930%0.303CS..Hα-helixtrans-65-40.3168.8176.60000111I102 A103 R108 L109 L110 L130 F166I102-V106 PolarHBondContact O-N 3.38Å; A103-V106 PolarHBondContact O-N 3.46Å; V106-R108 VanDerWaalsContact C-N 3.31Å; V106-R108 PolarHBondContact O-N 3.15Å; V106-L109 WeakPolarHBondContact O-CB 3.44Å; V106-L109 PolarHBondContact O-N 3.3Å; V106-L110 HydrophobicContact CG1-CD1 4.37Å; V106-L110 WeakPolarHBondContact O-CG 3.33Å; V106-L110 PolarHBondContact O-N 2.93Å; V106-L130 HydrophobicContact CG2-CD1 4.44Å; V106-F166 HydrophobicContact CB-CE1 4.38Å; V106-F166 HydrophobicContact CG2-CD1 4.17Å; V106-F166 HydrophobicContact CG2-CE1 3.44Å; V106-F166 VanDerWaalsContact CG2-CE1 3.44Å; V106-F166 HydrophobicContact CG2-CZ 3.95Å
107G85.8Confident82Confident38 Ų3868.2 Ų68.239%0.39232%0.316SS..Hα-helixtrans-58.4-41.7172.300000112.4A103 T104 D105 L110 Y111A103-G107 PolarHBondContact O-N 3.26Å; T104-G107 PolarHBondContact O-N 2.91Å; D105-G107 VanDerWaalsContact C-N 3.33Å; G107-L110 PolarHBondContact O-N 2.9Å; G107-Y111 WeakPolarHBondContact O-CB 3.49Å; G107-Y111 PolarHBondContact O-N 3.3Å
108R83Confident80.5Confident132 Ų13268.4 Ų68.450%0.49831%0.312SS..Hα-helixtrans-66.3-39.9174.6-72.5171.2-176173.3-3.5112.8N47 T104 D105 V106 L110 Y111 G112N47-R108 PolarHBondContact ND2-NH1 2.94Å; N47-R108 PolarHBondContact ND2-NH2 3.2Å; N47-R108 VanDerWaalsContact ND2-NH2 3.1Å; T104-R108 WeakPolarHBondContact O-CG 3.39Å; T104-R108 PolarHBondContact O-N 3.45Å; D105-R108 PolarHBondContact O-N 3Å; D105-R108 IonicContact OD1-CZ 3.44Å; D105-R108 IonicContact OD1-NE 3.44Å; D105-R108 IonicContact OD1-NH1 3.98Å; D105-R108 PolarHBondContact OD1-NH1 2.9Å; V106-R108 VanDerWaalsContact C-N 3.31Å; V106-R108 PolarHBondContact O-N 3.15Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 3.02Å; R108-Y111 PolarHBondContact O-N 3.5Å; R108-G112 PolarHBondContact O-N 3.25Å
109L79.3Confident79.6Confident3 Ų373.8 Ų73.82%0.01634%0.34CS..Hα-helixtrans-56.9-49173.617871.4000109.9L41 D105 V106 G112 C113 W118 I123 I127L41-L109 HydrophobicContact CD2-CD1 3.51Å; D105-L109 PolarHBondContact O-N 3.47Å; V106-L109 WeakPolarHBondContact O-CB 3.44Å; V106-L109 PolarHBondContact O-N 3.3Å; L109-G112 PolarHBondContact O-N 3.02Å; L109-C113 PolarHBondContact O-N 2.99Å; L109-C113 PolarHBondContact O-SG 3.25Å; L109-W118 HydrophobicContact CD1-CE3 4.17Å; L109-W118 HydrophobicContact CD1-CH2 4.48Å; L109-W118 HydrophobicContact CD1-CZ3 3.52Å; L109-W118 HydrophobicContact CG-CZ3 4.43Å; L109-W118 WeakPolarHBondContact O-CZ3 3.4Å; L109-I123 HydrophobicContact CD2-CG2 4.29Å; L109-I123 HydrophobicContact CG-CG2 4.33Å; L109-I127 HydrophobicContact CD2-CG1 4.13Å
110L80.9Confident78.8Confident64 Ų6475.3 Ų75.334%0.33535%0.351SS..Hα-helixtrans-64.7-41.1178.1-66.9174.1000112.5V106 G107 R108 G112 C113 R114 I123 I127 V169V106-L110 HydrophobicContact CG1-CD1 4.37Å; V106-L110 WeakPolarHBondContact O-CG 3.33Å; V106-L110 PolarHBondContact O-N 2.93Å; G107-L110 PolarHBondContact O-N 2.9Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 3.02Å; L110-G112 VanDerWaalsContact C-N 3.33Å; L110-G112 PolarHBondContact O-N 3.09Å; L110-C113 VanDerWaalsContact CA-SG 3.51Å; L110-C113 WeakPolarHBondContact O-CB 3.43Å; L110-C113 PolarHBondContact O-N 2.84Å; L110-C113 PolarHBondContact O-SG 2.97Å; L110-R114 PolarHBondContact O-N 3.41Å; L110-I123 HydrophobicContact CD2-CG2 4.16Å; L110-I127 HydrophobicContact CD2-CD1 4.15Å; L110-V169 HydrophobicContact CD1-CG1 3.81Å; L110-V169 HydrophobicContact CD2-CG1 3.99Å; L110-V169 HydrophobicContact CG-CG1 4.44Å
111Y76.6Confident78.3Confident120 Ų12072.1 Ų72.147%0.47135%0.348SS..Hα-helixtrans-65.5-35.7175.7-174.4-95.1000112.4G107 R108 C113 R114 R115G107-Y111 WeakPolarHBondContact O-CB 3.49Å; G107-Y111 PolarHBondContact O-N 3.3Å; R108-Y111 PolarHBondContact O-N 3.5Å; Y111-C113 VanDerWaalsContact C-N 3.27Å; Y111-C113 PolarHBondContact O-N 2.82Å; Y111-R114 WeakPolarHBondContact O-CB 3.46Å; Y111-R114 PolarHBondContact O-N 3.49Å; Y111-R114 VanDerWaalsContact O-N 3.08Å; Y111-R115 HydrophobicContact CE1-CB 4.13Å; Y111-R115 PolarHBondContact O-N 3.35Å; Y111-R115 PolarHBondContact OH-NH1 3.19Å
112G69.5Low77.8Confident6 Ų675.2 Ų75.26%0.06236%0.358CS..Hα-helixtrans-56.2-40.1173.400000112.5R108 L109 L110 R114 R115 H116R108-G112 PolarHBondContact O-N 3.25Å; L109-G112 PolarHBondContact O-N 3.02Å; L110-G112 VanDerWaalsContact C-N 3.33Å; L110-G112 PolarHBondContact O-N 3.09Å; G112-R114 VanDerWaalsContact C-N 3.33Å; G112-R114 PolarHBondContact O-N 3Å; G112-R115 PolarHBondContact O-N 2.65Å; G112-H116 PolarHBondContact O-N 3.45Å
113C66.1Low77.3Confident27 Ų2774.7 Ų74.718%0.18236%0.356CS..Hα-helixtrans-58-46.6173.6-26.50000112L109 L110 Y111 R117 I123L109-C113 PolarHBondContact O-N 2.99Å; L109-C113 PolarHBondContact O-SG 3.25Å; L110-C113 VanDerWaalsContact CA-SG 3.51Å; L110-C113 WeakPolarHBondContact O-CB 3.43Å; L110-C113 PolarHBondContact O-N 2.84Å; L110-C113 PolarHBondContact O-SG 2.97Å; Y111-C113 VanDerWaalsContact C-N 3.27Å; Y111-C113 PolarHBondContact O-N 2.82Å; C113-R117 WeakPolarHBondContact O-CA 3.45Å; C113-R117 PolarHBondContact O-N 2.95Å; C113-R117 VanDerWaalsContact O-N 3.17Å; C113-I123 HydrophobicContact CB-CD1 3.48Å; C113-I123 VanDerWaalsContact CB-CD1 3.48Å; C113-I123 HydrophobicContact CB-CG1 4.39Å; C113-I123 WeakPolarHBondContact SG-CD1 3.47Å; C113-I123 WeakPolarHBondContact SG-CG1 3.29Å
114R68.8Low77.1Confident172 Ų17272.6 Ų72.665%0.64934%0.339SS*.Hα-helixtrans-63.6-46.7-178.7-176.1179.2177.2-175.4-2.2111.2L110 Y111 G112L110-R114 PolarHBondContact O-N 3.41Å; Y111-R114 WeakPolarHBondContact O-CB 3.46Å; Y111-R114 PolarHBondContact O-N 3.49Å; Y111-R114 VanDerWaalsContact O-N 3.08Å; G112-R114 VanDerWaalsContact C-N 3.33Å; G112-R114 PolarHBondContact O-N 3Å
115R65.2Low77Confident164 Ų16476.1 Ų76.162%0.61935%0.352SS*.Hα-helixtrans-82.5-43.6-171.9-171.3173.6-176.2120.9-0.5113.6Y111 G112Y111-R115 HydrophobicContact CE1-CB 4.13Å; Y111-R115 PolarHBondContact O-N 3.35Å; Y111-R115 PolarHBondContact OH-NH1 3.19Å; G112-R115 PolarHBondContact O-N 2.65Å
116H59.8Low76.9Confident126 Ų12676.5 Ų76.558%0.58336%0.355SS*.Hα-helixtrans-105.68.1-171.4-65.7-71000113.7G112 W118G112-H116 PolarHBondContact O-N 3.45Å; H116-W118 VanDerWaalsContact C-N 3.27Å; H116-W118 PolarHBondContact O-N 2.81Å
117R63.8Low77.1Confident185 Ų18575.9 Ų75.970%0.69835%0.352SS*.  trans51.943.5-179.2-57.5-162.6-176.2-164.80.8113.2C113 N119 S194C113-R117 WeakPolarHBondContact O-CA 3.45Å; C113-R117 PolarHBondContact O-N 2.95Å; C113-R117 VanDerWaalsContact O-N 3.17Å; R117-N119 PolarHBondContact O-N 2.86Å; R117-S194 PolarHBondContact NH2-OG 3.35Å
118W61.8Low77.3Confident85 Ų8575.3 Ų75.332%0.32234%0.343SS..  trans-58.7142.2171.8-64.1-7.9000109.9L109 H116 V120 I123L109-W118 HydrophobicContact CD1-CE3 4.17Å; L109-W118 HydrophobicContact CD1-CH2 4.48Å; L109-W118 HydrophobicContact CD1-CZ3 3.52Å; L109-W118 HydrophobicContact CG-CZ3 4.43Å; L109-W118 WeakPolarHBondContact O-CZ3 3.4Å; H116-W118 VanDerWaalsContact C-N 3.27Å; H116-W118 PolarHBondContact O-N 2.81Å; W118-V120 PolarHBondContact O-N 2.74Å; W118-I123 HydrophobicContact CB-CD1 3.84Å; W118-I123 HydrophobicContact CB-CG1 4.48Å; W118-I123 HydrophobicContact CE3-CG1 4.26Å
119N76.5Confident77.7Confident112 Ų11269.1 Ų69.160%0.59932%0.32SS*.  trans-61.2121.8178.3-176.7-17.3000109.2R117 A121 Y122 I123R117-N119 PolarHBondContact O-N 2.86Å; N119-A121 PolarHBondContact O-N 2.97Å; N119-A121 WeakPolarHBondContact OD1-CB 3.22Å; N119-A121 PolarHBondContact OD1-N 3.1Å; N119-Y122 WeakPolarHBondContact O-CA 3.47Å; N119-Y122 WeakPolarHBondContact O-CB 3.48Å; N119-Y122 PolarHBondContact O-N 3.16Å; N119-I123 WeakPolarHBondContact O-CD1 3.28Å; N119-I123 PolarHBondContact O-N 3.47Å
120V79.7Confident78.2Confident69 Ų6970.1 Ų70.142%0.41833%0.326SS..Hα-helixtrans-49.4-36.5177.8174.20000112W118 Y122 I123 G124 L173 V177W118-V120 PolarHBondContact O-N 2.74Å; V120-Y122 VanDerWaalsContact C-N 3.29Å; V120-Y122 PolarHBondContact O-N 2.71Å; V120-I123 PolarHBondContact O-N 3.28Å; V120-G124 PolarHBondContact O-N 3.47Å; V120-L173 HydrophobicContact CG1-CD1 3.9Å; V120-L173 HydrophobicContact CG1-CD2 4.3Å; V120-L173 HydrophobicContact CG1-CG 4.22Å; V120-V177 HydrophobicContact CG1-CG2 3.84Å
121A83.7Confident78.8Confident56 Ų5668.5 Ų68.546%0.46332%0.317SS..Hα-helixtrans-62.5-34.717600000112.9N119 K125N119-A121 PolarHBondContact O-N 2.97Å; N119-A121 WeakPolarHBondContact OD1-CB 3.22Å; N119-A121 PolarHBondContact OD1-N 3.1Å; A121-K125 WeakPolarHBondContact O-CB 3.41Å; A121-K125 VanDerWaalsContact O-CG 3.28Å; A121-K125 WeakPolarHBondContact O-CG 3.41Å; A121-K125 PolarHBondContact O-N 3.33Å
122Y82.3Confident79.6Confident103 Ų10364.1 Ų64.140%0.40430%0.301SS..Hα-helixtrans-67.2-43.5177.2-176.2-101.4000111.8S39 L41 N119 V120 K125 G126S39-Y122 VanDerWaalsContact CB-OH 3.27Å; S39-Y122 WeakPolarHBondContact CB-OH 3.36Å; L41-Y122 HydrophobicContact CD1-CE1 3.98Å; L41-Y122 WeakPolarHBondContact CD1-OH 3.5Å; N119-Y122 WeakPolarHBondContact O-CA 3.47Å; N119-Y122 WeakPolarHBondContact O-CB 3.48Å; N119-Y122 PolarHBondContact O-N 3.16Å; V120-Y122 VanDerWaalsContact C-N 3.29Å; V120-Y122 PolarHBondContact O-N 2.71Å; Y122-K125 PolarHBondContact O-N 3.32Å; Y122-G126 PolarHBondContact O-N 2.9Å
123I84.1Confident80.7Confident3 Ų366.2 Ų66.22%0.01531%0.311CS..Hα-helixtrans-68.4-42.8176-61.3123.1000110.8L109 L110 C113 W118 N119 V120 K125 G126 I127L109-I123 HydrophobicContact CD2-CG2 4.29Å; L109-I123 HydrophobicContact CG-CG2 4.33Å; L110-I123 HydrophobicContact CD2-CG2 4.16Å; C113-I123 HydrophobicContact CB-CD1 3.48Å; C113-I123 VanDerWaalsContact CB-CD1 3.48Å; C113-I123 HydrophobicContact CB-CG1 4.39Å; C113-I123 WeakPolarHBondContact SG-CD1 3.47Å; C113-I123 WeakPolarHBondContact SG-CG1 3.29Å; W118-I123 HydrophobicContact CB-CD1 3.84Å; W118-I123 HydrophobicContact CB-CG1 4.48Å; W118-I123 HydrophobicContact CE3-CG1 4.26Å; N119-I123 WeakPolarHBondContact O-CD1 3.28Å; N119-I123 PolarHBondContact O-N 3.47Å; V120-I123 PolarHBondContact O-N 3.28Å; I123-K125 VanDerWaalsContact C-N 3.27Å; I123-K125 PolarHBondContact O-N 3.02Å; I123-G126 PolarHBondContact O-N 2.88Å; I123-G126 VanDerWaalsContact O-N 3.08Å; I123-I127 HydrophobicContact CG2-CD1 3.69Å; I123-I127 HydrophobicContact CG2-CG1 4.17Å; I123-I127 WeakPolarHBondContact O-CG1 3.31Å; I123-I127 PolarHBondContact O-N 3.27Å
124G87.9Confident82Confident9 Ų965.5 Ų65.59%0.09331%0.305CS..Hα-helixtrans-55.6-43.9174.800000111.6V120 A128V120-G124 PolarHBondContact O-N 3.47Å; G124-A128 WeakPolarHBondContact O-CB 3.45Å; G124-A128 PolarHBondContact O-N 3.35Å
125K87.6Confident83.2Confident111 Ų11159.4 Ų59.448%0.48329%0.287SS..Hα-helixtrans-62.6-45.3172.7-76.2178.5175.7-162.40112.7E35 A121 Y122 I123 A128 C129E35-K125 IonicContact OE2-NZ 3.92Å; A121-K125 WeakPolarHBondContact O-CB 3.41Å; A121-K125 VanDerWaalsContact O-CG 3.28Å; A121-K125 WeakPolarHBondContact O-CG 3.41Å; A121-K125 PolarHBondContact O-N 3.33Å; Y122-K125 PolarHBondContact O-N 3.32Å; I123-K125 VanDerWaalsContact C-N 3.27Å; I123-K125 PolarHBondContact O-N 3.02Å; K125-A128 PolarHBondContact O-N 3.32Å; K125-C129 WeakPolarHBondContact O-CB 3.4Å; K125-C129 PolarHBondContact O-N 3.45Å
126G86.4Confident84.6Confident8 Ų856.6 Ų56.68%0.08228%0.282CS..Hα-helixtrans-59.9-47.8178.200000112.6Y122 I123 C129 L130Y122-G126 PolarHBondContact O-N 2.9Å; I123-G126 PolarHBondContact O-N 2.88Å; I123-G126 VanDerWaalsContact O-N 3.08Å; G126-C129 WeakPolarHBondContact O-CB 3.43Å; G126-C129 PolarHBondContact O-N 3.44Å; G126-L130 WeakPolarHBondContact O-CG 3.49Å; G126-L130 PolarHBondContact O-N 2.9Å
127I89.9Confident86.2Confident1 Ų154.2 Ų54.21%0.00527%0.273CS..Hα-helixtrans-65.2-43.2176.7-62.9173.4000110.7L109 L110 I123 C129 L130 I131 F166 V169 F170L109-I127 HydrophobicContact CD2-CG1 4.13Å; L110-I127 HydrophobicContact CD2-CD1 4.15Å; I123-I127 HydrophobicContact CG2-CD1 3.69Å; I123-I127 HydrophobicContact CG2-CG1 4.17Å; I123-I127 WeakPolarHBondContact O-CG1 3.31Å; I123-I127 PolarHBondContact O-N 3.27Å; I127-C129 VanDerWaalsContact C-N 3.28Å; I127-C129 PolarHBondContact O-N 3.3Å; I127-L130 WeakPolarHBondContact O-CB 3.12Å; I127-L130 PolarHBondContact O-N 3.41Å; I127-L130 VanDerWaalsContact O-N 3.15Å; I127-I131 HydrophobicContact CG2-CD1 4.03Å; I127-I131 HydrophobicContact CG2-CG1 4.42Å; I127-I131 WeakPolarHBondContact O-CG1 3.33Å; I127-I131 PolarHBondContact O-N 2.86Å; I127-F166 HydrophobicContact CG2-CB 4.4Å; I127-V169 HydrophobicContact CD1-CG1 3.69Å; I127-F170 HydrophobicContact CB-CD2 4.47Å; I127-F170 HydrophobicContact CG2-CB 3.92Å; I127-F170 HydrophobicContact CG2-CD2 4.2Å
128A91.6Very high87.6Confident26 Ų2645.7 Ų45.722%0.21524%0.242CC..Hα-helixtrans-59.8-39.5175.700000112G124 K125 I131 I132 F170G124-A128 WeakPolarHBondContact O-CB 3.45Å; G124-A128 PolarHBondContact O-N 3.35Å; K125-A128 PolarHBondContact O-N 3.32Å; A128-I131 PolarHBondContact O-N 3.38Å; A128-I132 WeakPolarHBondContact O-CD1 3.41Å; A128-I132 VanDerWaalsContact O-CG1 3.28Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.41Å; A128-F170 HydrophobicContact CB-CE2 4.12Å
129C90.3Very high89.1Confident2 Ų244.8 Ų44.81%0.01425%0.248CC..Hα-helixtrans-63.3-44.1174.2-170.30000111.7F36 K125 G126 I127 I131 I132 I133F36-C129 HydrophobicContact CB-CB 4.26Å; F36-C129 WeakPolarHBondContact CB-SG 3.49Å; F36-C129 HydrophobicContact CD2-CB 4.23Å; F36-C129 HydrophobicContact CG-CB 4.39Å; K125-C129 WeakPolarHBondContact O-CB 3.4Å; K125-C129 PolarHBondContact O-N 3.45Å; G126-C129 WeakPolarHBondContact O-CB 3.43Å; G126-C129 PolarHBondContact O-N 3.44Å; I127-C129 VanDerWaalsContact C-N 3.28Å; I127-C129 PolarHBondContact O-N 3.3Å; C129-I131 PolarHBondContact O-N 3.14Å; C129-I132 PolarHBondContact O-N 2.69Å; C129-I133 VanDerWaalsContact O-CG1 3.32Å; C129-I133 WeakPolarHBondContact O-CG1 3.35Å; C129-I133 PolarHBondContact O-N 2.82Å
130L90.8Very high89.8Confident24 Ų2440.8 Ų40.813%0.12623%0.233CC..Hα-helixtrans-61-43.6175.1-70.4173.6000111.8F36 V106 G126 I127 I132 I133 V134 F166F36-L130 HydrophobicContact CE2-CD2 4.2Å; F36-L130 HydrophobicContact CE2-CG 4.28Å; F36-L130 HydrophobicContact CZ-CD2 3.78Å; F36-L130 HydrophobicContact CZ-CG 4.36Å; V106-L130 HydrophobicContact CG2-CD1 4.44Å; G126-L130 WeakPolarHBondContact O-CG 3.49Å; G126-L130 PolarHBondContact O-N 2.9Å; I127-L130 WeakPolarHBondContact O-CB 3.12Å; I127-L130 PolarHBondContact O-N 3.41Å; I127-L130 VanDerWaalsContact O-N 3.15Å; L130-I132 VanDerWaalsContact C-N 3.31Å; L130-I132 PolarHBondContact O-N 2.9Å; L130-I133 PolarHBondContact O-N 3.35Å; L130-V134 WeakPolarHBondContact O-CB 3.47Å; L130-V134 VanDerWaalsContact O-CG2 3.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.44Å; L130-V134 PolarHBondContact O-N 3.4Å; L130-F166 HydrophobicContact CB-CD2 3.85Å; L130-F166 HydrophobicContact CB-CE2 3.96Å; L130-F166 HydrophobicContact CD1-CE2 4.44Å
131I93.6Very high90.4Very high30 Ų3037.8 Ų37.815%0.15422%0.215CC..Hα-helixtrans-57-47175.1-69.4168000110.2I127 A128 C129 T135 L163 F166 F170I127-I131 HydrophobicContact CG2-CD1 4.03Å; I127-I131 HydrophobicContact CG2-CG1 4.42Å; I127-I131 WeakPolarHBondContact O-CG1 3.33Å; I127-I131 PolarHBondContact O-N 2.86Å; A128-I131 PolarHBondContact O-N 3.38Å; C129-I131 PolarHBondContact O-N 3.14Å; I131-T135 WeakPolarHBondContact O-CB 3.49Å; I131-T135 PolarHBondContact O-N 2.87Å; I131-T135 PolarHBondContact O-OG1 3.4Å; I131-L163 HydrophobicContact CG2-CD1 3.94Å; I131-F166 HydrophobicContact CD1-CB 4.37Å; I131-F166 HydrophobicContact CG1-CB 3.65Å; I131-F170 HydrophobicContact CD1-CB 3.78Å; I131-F170 HydrophobicContact CD1-CG 4.09Å
132I93.2Very high90.8Very high27 Ų2739 Ų3914%0.13821%0.214CC..Hα-helixtrans-60.7-50.2178.7-70.2159.6000110.7Y29 L32 A128 C129 L130 V134 T135 M136Y29-I132 HydrophobicContact CD1-CD1 3.9Å; Y29-I132 HydrophobicContact CD1-CG1 4.13Å; Y29-I132 HydrophobicContact CD1-CG2 3.6Å; Y29-I132 HydrophobicContact CE1-CD1 4.04Å; Y29-I132 HydrophobicContact CE1-CG1 4.02Å; Y29-I132 HydrophobicContact CE1-CG2 4.06Å; Y29-I132 HydrophobicContact CG-CG2 4.46Å; L32-I132 HydrophobicContact CD1-CD1 3.78Å; A128-I132 WeakPolarHBondContact O-CD1 3.41Å; A128-I132 VanDerWaalsContact O-CG1 3.28Å; A128-I132 WeakPolarHBondContact O-CG1 3.47Å; A128-I132 PolarHBondContact O-N 3.41Å; C129-I132 PolarHBondContact O-N 2.69Å; L130-I132 VanDerWaalsContact C-N 3.31Å; L130-I132 PolarHBondContact O-N 2.9Å; I132-V134 PolarHBondContact O-N 2.95Å; I132-T135 PolarHBondContact O-N 2.84Å; I132-M136 WeakPolarHBondContact O-CG 3.25Å; I132-M136 PolarHBondContact O-N 3.3Å
133I91.7Very high91.2Very high51 Ų5138.7 Ų38.726%0.26223%0.226SC..Hα-helixtrans-59.1-49.6-178.9-69.2166.1000110.5I33 F36 C129 L130 T135 M136 L137I33-I133 HydrophobicContact CG1-CG1 4.25Å; F36-I133 HydrophobicContact CD1-CD1 4.41Å; C129-I133 VanDerWaalsContact O-CG1 3.32Å; C129-I133 WeakPolarHBondContact O-CG1 3.35Å; C129-I133 PolarHBondContact O-N 2.82Å; L130-I133 PolarHBondContact O-N 3.35Å; I133-T135 VanDerWaalsContact C-N 3.35Å; I133-T135 PolarHBondContact O-N 3.11Å; I133-M136 PolarHBondContact O-N 2.78Å; I133-L137 HydrophobicContact CG2-CD1 4.43Å; I133-L137 WeakPolarHBondContact O-CG 3.48Å; I133-L137 PolarHBondContact O-N 2.92Å
134V93.3Very high91.4Very high12 Ų1247.3 Ų47.37%0.07326%0.26CS..Hα-helixtrans-69.7-33.9-178.6-176.70000111.5L130 I132 M136 L137 C138 F159 L163 F166L130-V134 WeakPolarHBondContact O-CB 3.47Å; L130-V134 VanDerWaalsContact O-CG2 3.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.44Å; L130-V134 PolarHBondContact O-N 3.4Å; I132-V134 PolarHBondContact O-N 2.95Å; V134-M136 VanDerWaalsContact C-N 3.34Å; V134-M136 PolarHBondContact O-N 3.08Å; V134-L137 WeakPolarHBondContact O-CB 3.47Å; V134-L137 PolarHBondContact O-N 3.35Å; V134-C138 PolarHBondContact O-N 3.42Å; V134-C138 PolarHBondContact O-SG 3.37Å; V134-C138 VanDerWaalsContact O-SG 3.35Å; V134-F159 HydrophobicContact CG1-CB 4.01Å; V134-F159 WeakPolarHBondContact CG1-O 3.4Å; V134-L163 HydrophobicContact CG1-CB 3.78Å; V134-F166 HydrophobicContact CG2-CD2 4.27Å; V134-F166 HydrophobicContact CG2-CE2 3.91Å
135T94.9Very high91.4Very high43 Ų4350 Ų5026%0.26429%0.288SS..Hα-helixtrans-60.9-44.7171.9-59.10000110.9I131 I132 I133 L137 C138 C139 L163I131-T135 WeakPolarHBondContact O-CB 3.49Å; I131-T135 PolarHBondContact O-N 2.87Å; I131-T135 PolarHBondContact O-OG1 3.4Å; I132-T135 PolarHBondContact O-N 2.84Å; I133-T135 VanDerWaalsContact C-N 3.35Å; I133-T135 PolarHBondContact O-N 3.11Å; T135-L137 VanDerWaalsContact C-N 3.31Å; T135-L137 PolarHBondContact O-N 3.38Å; T135-C138 PolarHBondContact O-N 3.49Å; T135-C139 WeakPolarHBondContact O-CB 3.35Å; T135-C139 PolarHBondContact O-N 3.37Å; T135-C139 PolarHBondContact O-SG 2.85Å; T135-L163 VanDerWaalsContact OG1-CD1 3.31Å; T135-L163 WeakPolarHBondContact OG1-CD1 3.32Å
136M93.5Very high91.4Very high106 Ų10647.5 Ų47.552%0.52228%0.279SS..Hα-helixtrans-61.8-39.9176.5-67.9-62.6103.400111.8I132 I133 V134 G140I132-M136 WeakPolarHBondContact O-CG 3.25Å; I132-M136 PolarHBondContact O-N 3.3Å; I133-M136 PolarHBondContact O-N 2.78Å; V134-M136 VanDerWaalsContact C-N 3.34Å; V134-M136 PolarHBondContact O-N 3.08Å; M136-G140 PolarHBondContact O-N 2.88Å
137L92.9Very high91.5Very high75 Ų7551.2 Ų51.239%0.39330%0.304SS..Hα-helixtrans-61.9-50.9174.1-69.4172000111.3I133 V134 T135 C139 G140 L141 F159I133-L137 HydrophobicContact CG2-CD1 4.43Å; I133-L137 WeakPolarHBondContact O-CG 3.48Å; I133-L137 PolarHBondContact O-N 2.92Å; V134-L137 WeakPolarHBondContact O-CB 3.47Å; V134-L137 PolarHBondContact O-N 3.35Å; T135-L137 VanDerWaalsContact C-N 3.31Å; T135-L137 PolarHBondContact O-N 3.38Å; L137-C139 PolarHBondContact O-N 3.05Å; L137-G140 PolarHBondContact O-N 2.97Å; L137-G140 VanDerWaalsContact O-N 3.15Å; L137-L141 VanDerWaalsContact O-CG 3.32Å; L137-L141 WeakPolarHBondContact O-CG 3.31Å; L137-L141 PolarHBondContact O-N 2.89Å; L137-F159 HydrophobicContact CB-CD2 4.4Å; L137-F159 HydrophobicContact CD1-CD1 4.41Å; L137-F159 HydrophobicContact CD1-CD2 4.49Å; L137-F159 HydrophobicContact CD1-CE1 4.3Å; L137-F159 HydrophobicContact CD1-CE2 4.36Å; L137-F159 HydrophobicContact CD1-CZ 4.28Å
138C93.5Very high91.5Very high7 Ų753.5 Ų53.55%0.04732%0.319CS..Hα-helixtrans-59.7-45.7178.2-68.20000112.1V134 T135 G140 L141 D142V134-C138 PolarHBondContact O-N 3.42Å; V134-C138 PolarHBondContact O-SG 3.37Å; V134-C138 VanDerWaalsContact O-SG 3.35Å; T135-C138 PolarHBondContact O-N 3.49Å; C138-G140 VanDerWaalsContact C-N 3.28Å; C138-G140 PolarHBondContact O-N 2.76Å; C138-L141 WeakPolarHBondContact O-CB 3.49Å; C138-L141 PolarHBondContact O-N 3.12Å; C138-L141 VanDerWaalsContact O-N 3.07Å; C138-D142 PolarHBondContact O-N 3.32Å
139C93.7Very high91.4Very high65 Ų6553.8 Ų53.844%0.43932%0.319SS..Hα-helixtrans-61.4-36.9175.9-68.60000112.4T135 L137 D142 S143T135-C139 WeakPolarHBondContact O-CB 3.35Å; T135-C139 PolarHBondContact O-N 3.37Å; T135-C139 PolarHBondContact O-SG 2.85Å; L137-C139 PolarHBondContact O-N 3.05Å; C139-D142 PolarHBondContact O-N 3.48Å; C139-S143 PolarHBondContact O-N 2.91Å; C139-S143 VanDerWaalsContact O-N 3.11Å
140G92.1Very high91.2Very high28 Ų2862.5 Ų62.529%0.28935%0.352SS..Hα-helixtrans-60.1-46.2171.900000111.4M136 L137 C138 S143 Y144M136-G140 PolarHBondContact O-N 2.88Å; L137-G140 PolarHBondContact O-N 2.97Å; L137-G140 VanDerWaalsContact O-N 3.15Å; C138-G140 VanDerWaalsContact C-N 3.28Å; C138-G140 PolarHBondContact O-N 2.76Å; G140-S143 WeakPolarHBondContact O-CB 3.36Å; G140-S143 PolarHBondContact O-N 3.32Å; G140-S143 PolarHBondContact O-OG 2.91Å; G140-Y144 WeakPolarHBondContact O-CD2 3.03Å; G140-Y144 PolarHBondContact O-N 3.21Å
141L91.3Very high91Very high7 Ų768 Ų684%0.03737%0.371CS..Hα-helixtrans-67.2-36.6178.8-61.6173000113.4L137 C138 S143 Y144 L146 W155 Y156 F159L137-L141 VanDerWaalsContact O-CG 3.32Å; L137-L141 WeakPolarHBondContact O-CG 3.31Å; L137-L141 PolarHBondContact O-N 2.89Å; C138-L141 WeakPolarHBondContact O-CB 3.49Å; C138-L141 PolarHBondContact O-N 3.12Å; C138-L141 VanDerWaalsContact O-N 3.07Å; L141-S143 VanDerWaalsContact C-N 3.26Å; L141-S143 PolarHBondContact O-N 3.41Å; L141-Y144 WeakPolarHBondContact O-CB 3.34Å; L141-Y144 PolarHBondContact O-N 3.28Å; L141-Y144 VanDerWaalsContact O-N 3.1Å; L141-L146 HydrophobicContact CD2-CD1 4.12Å; L141-L146 PolarHBondContact O-N 2.83Å; L141-W155 HydrophobicContact CD2-CD2 4.13Å; L141-W155 HydrophobicContact CD2-CE3 4.06Å; L141-W155 HydrophobicContact CD2-CH2 3.16Å; L141-W155 HydrophobicContact CD2-CZ2 3.21Å; L141-W155 HydrophobicContact CD2-CZ3 3.6Å; L141-Y156 HydrophobicContact CB-CD1 3.38Å; L141-Y156 HydrophobicContact CB-CE1 3.51Å; L141-Y156 HydrophobicContact CB-CG 4.24Å; L141-Y156 HydrophobicContact CD1-CD1 3.79Å; L141-Y156 HydrophobicContact CD1-CE1 4.47Å; L141-Y156 HydrophobicContact CD1-CG 3.78Å; L141-Y156 HydrophobicContact CG-CD1 4.16Å; L141-F159 HydrophobicContact CD1-CD2 4.02Å
142D91.4Very high90.6Very high81 Ų8167 Ų6743%0.43337%0.365SS..Hα-helixtrans-60.4-38.6172.6-72.8-31.4000111.4C138 C139 Y144 G145 Y156C138-D142 PolarHBondContact O-N 3.32Å; C139-D142 PolarHBondContact O-N 3.48Å; D142-Y144 PolarHBondContact O-N 3.41Å; D142-G145 PolarHBondContact O-N 3.39Å; D142-Y156 VanDerWaalsContact CG-OH 3.28Å; D142-Y156 WeakPolarHBondContact OD1-CE1 3.39Å; D142-Y156 PolarHBondContact OD1-OH 3.23Å
143S91.4Very high90.5Very high96 Ų9665.7 Ų65.767%0.67136%0.359SS*.Hα-helixtrans-66.5-21.6176.977.10000113.5C139 G140 L141 G145C139-S143 PolarHBondContact O-N 2.91Å; C139-S143 VanDerWaalsContact O-N 3.11Å; G140-S143 WeakPolarHBondContact O-CB 3.36Å; G140-S143 PolarHBondContact O-N 3.32Å; G140-S143 PolarHBondContact O-OG 2.91Å; L141-S143 VanDerWaalsContact C-N 3.26Å; L141-S143 PolarHBondContact O-N 3.41Å; S143-G145 VanDerWaalsContact C-N 3.29Å
144Y89.4Confident90.5Very high185 Ų18564.5 Ų64.573%0.72535%0.351SS*.THydrogen-bonded Turntrans-84.72170.3-71.8-74.9000113.3G140 L141 D142 L146G140-Y144 WeakPolarHBondContact O-CD2 3.03Å; G140-Y144 PolarHBondContact O-N 3.21Å; L141-Y144 WeakPolarHBondContact O-CB 3.34Å; L141-Y144 PolarHBondContact O-N 3.28Å; L141-Y144 VanDerWaalsContact O-N 3.1Å; D142-Y144 PolarHBondContact O-N 3.41Å; Y144-L146 PolarHBondContact O-N 2.95Å
145G87.5Confident90.4Very high65 Ų6566.8 Ų66.867%0.6736%0.359SS*.THydrogen-bonded Turntrans71.615.6-178.300000113.9D142 S143D142-G145 PolarHBondContact O-N 3.39Å; S143-G145 VanDerWaalsContact C-N 3.29Å
146L86.6Confident90.4Very high59 Ų5965.1 Ų65.131%0.30935%0.348SS..  trans-78.9151.1175.5-64.5174.8000110.1L141 Y144 W155 Y156L141-L146 HydrophobicContact CD2-CD1 4.12Å; L141-L146 PolarHBondContact O-N 2.83Å; Y144-L146 PolarHBondContact O-N 2.95Å; L146-W155 HydrophobicContact CD1-CZ2 4.03Å; L146-Y156 HydrophobicContact CB-CD1 3.78Å; L146-Y156 HydrophobicContact CB-CE1 4.27Å; L146-Y156 VanDerWaalsContact O-CE1 3.31Å; L146-Y156 WeakPolarHBondContact O-CE1 3.45Å
147S88.4Confident90.4Very high85 Ų8562.1 Ų62.159%0.59433%0.331SS*.  trans-132.3138.6179-70.70000111.2S149 Y154S147-S149 PolarHBondContact O-N 2.85Å; S147-Y154 PolarHBondContact N-OH 3.38Å; S147-Y154 WeakPolarHBondContact O-CE1 3.45Å; S147-Y154 PolarHBondContact O-OH 2.77Å
148P90.9Very high90.5Very high49 Ų4958.6 Ų58.632%0.31831%0.312SS..  trans-60.6128.2-178.423.3-28.9000110.1Y156 Y157 W160P148-Y156 HydrophobicContact CB-CD2 3.57Å; P148-Y156 HydrophobicContact CB-CE2 3.68Å; P148-Y156 VanDerWaalsContact CD-CE2 3.47Å; P148-Y156 HydrophobicContact CG-CD2 4.13Å; P148-Y156 HydrophobicContact CG-CE2 3.72Å; P148-Y157 HydrophobicContact CB-CD2 4.34Å; P148-W160 HydrophobicContact CB-CB 4.19Å; P148-W160 HydrophobicContact CB-CD2 4.06Å; P148-W160 HydrophobicContact CB-CE3 4.24Å; P148-W160 HydrophobicContact CB-CG 4.03Å; P148-W160 HydrophobicContact CG-CD2 4.17Å; P148-W160 HydrophobicContact CG-CG 4.17Å
149S89.2Confident90.6Very high32 Ų3258.9 Ų58.922%0.22431%0.313CS..  trans-127.6111.4180-178.10000110S147 R151 A153S147-S149 PolarHBondContact O-N 2.85Å; S149-R151 PolarHBondContact O-N 3.31Å; S149-A153 PolarHBondContact O-N 2.98Å; S149-A153 VanDerWaalsContact O-N 3.11Å
150R86Confident90.6Very high186 Ų18660.9 Ų60.970%0.70231%0.311SS*.THydrogen-bonded Turntrans-63.9-20175.867.8178.5179.4-166.8-5.1113.8I152 Y157R150-I152 VanDerWaalsContact C-N 3.31Å; R150-I152 PolarHBondContact O-N 3.36Å; R150-Y157 HydrophobicContact CB-CD2 4.31Å; R150-Y157 HydrophobicContact CB-CE2 3.65Å
151R87Confident90.8Very high140 Ų14061 Ų6153%0.52831%0.305SS..THydrogen-bonded Turntrans-66.4-35.5-175.4-68.3-176.8-173-175.35112.1E88 S149E88-R151 CarbonylContact C-O 3.41Å; E88-R151 WeakPolarHBondContact OE2-CB 3.41Å; E88-R151 WeakPolarHBondContact OE2-CD 3.38Å; E88-R151 WeakPolarHBondContact OE2-CG 3.31Å; S149-R151 PolarHBondContact O-N 3.31Å
152I85.1Confident91Very high7 Ų761 Ų614%0.03631%0.307CS..THydrogen-bonded Turntrans-113.3-22.4-177-55.3-171.2000111.5L62 L71 F72 V91 S92 R150 Y154L62-I152 HydrophobicContact CD1-CG2 3.27Å; L62-I152 HydrophobicContact CD2-CG2 3.65Å; L62-I152 HydrophobicContact CG-CG2 4.09Å; L71-I152 HydrophobicContact CB-CD1 4.27Å; L71-I152 HydrophobicContact CD1-CD1 4.11Å; F72-I152 HydrophobicContact CD1-CD1 4.41Å; F72-I152 HydrophobicContact CD2-CD1 4.15Å; F72-I152 HydrophobicContact CE1-CD1 3.67Å; F72-I152 HydrophobicContact CE1-CG1 4.12Å; F72-I152 HydrophobicContact CE2-CD1 3.36Å; F72-I152 HydrophobicContact CZ-CD1 3.1Å; F72-I152 HydrophobicContact CZ-CG1 3.91Å; V91-I152 HydrophobicContact CG1-CG2 3.89Å; S92-I152 WeakPolarHBondContact CA-O 3.32Å; R150-I152 VanDerWaalsContact C-N 3.31Å; R150-I152 PolarHBondContact O-N 3.36Å; I152-Y154 VanDerWaalsContact C-N 3.26Å; I152-Y154 PolarHBondContact O-N 2.9Å
153A90.7Very high91.2Very high1 Ų158.7 Ų58.71%0.00829%0.294CS..THydrogen-bonded Turntrans55.239.4-178.700000113.9G95 S149 Y157G95-A153 WeakPolarHBondContact CA-O 3.33Å; S149-A153 PolarHBondContact O-N 2.98Å; S149-A153 VanDerWaalsContact O-N 3.11Å; A153-Y157 HydrophobicContact CB-CD1 3.57Å; A153-Y157 HydrophobicContact CB-CE1 3.95Å; A153-Y157 HydrophobicContact CB-CG 4.49Å
154Y90.6Very high91.4Very high25 Ų2558 Ų5810%0.09828%0.282CS..  trans-64.7171.2174.377-59.4000113S147 I152 Y156 Y157 V158S147-Y154 PolarHBondContact N-OH 3.38Å; S147-Y154 WeakPolarHBondContact O-CE1 3.45Å; S147-Y154 PolarHBondContact O-OH 2.77Å; I152-Y154 VanDerWaalsContact C-N 3.26Å; I152-Y154 PolarHBondContact O-N 2.9Å; Y154-Y156 VanDerWaalsContact C-N 3.31Å; Y154-Y156 PolarHBondContact O-N 3.32Å; Y154-Y156 VanDerWaalsContact O-N 3.1Å; Y154-Y156 WeakPolarHBondContact OH-CB 3.22Å; Y154-Y157 WeakPolarHBondContact O-CA 3.49Å; Y154-Y157 WeakPolarHBondContact O-CB 3.28Å; Y154-Y157 PolarHBondContact O-N 3.37Å; Y154-V158 PolarHBondContact O-N 3.4Å; Y154-V158 VanDerWaalsContact O-N 3.09Å
155W92Very high91.6Very high60 Ų6051.7 Ų51.723%0.22727%0.265CS..Hα-helixtrans-43.8-44.4-176.369.3-46.7000115.9A55 L56 Q59 L141 L146 Y157 V158 F159A55-W155 HydrophobicContact CB-CB 4.32Å; L56-W155 HydrophobicContact CD2-CE3 4.09Å; Q59-W155 HydrophobicContact CB-CB 4.28Å; Q59-W155 HydrophobicContact CB-CG 3.99Å; Q59-W155 HydrophobicContact CG-CD2 4.19Å; Q59-W155 HydrophobicContact CG-CG 4.04Å; Q59-W155 VanDerWaalsContact OE1-NE1 3.12Å; L141-W155 HydrophobicContact CD2-CD2 4.13Å; L141-W155 HydrophobicContact CD2-CE3 4.06Å; L141-W155 HydrophobicContact CD2-CH2 3.16Å; L141-W155 HydrophobicContact CD2-CZ2 3.21Å; L141-W155 HydrophobicContact CD2-CZ3 3.6Å; L146-W155 HydrophobicContact CD1-CZ2 4.03Å; W155-Y157 PolarHBondContact O-N 3.35Å; W155-V158 PolarHBondContact O-N 2.92Å; W155-F159 HydrophobicContact CB-CE2 4.29Å; W155-F159 AromaticContact CE3-CE2 3.88Å; W155-F159 HydrophobicContact CE3-CE2 3.88Å; W155-F159 VanDerWaalsContact O-CD2 3.26Å; W155-F159 WeakPolarHBondContact O-CD2 3.4Å; W155-F159 WeakPolarHBondContact O-CG 3.17Å; W155-F159 PolarHBondContact O-N 3.39Å
156Y94.2Very high91.9Very high8 Ų849.1 Ų49.13%0.03124%0.235CC..Hα-helixtrans-54.2-56.5174.2-170.6133.8000109.3L141 D142 L146 P148 Y154 V158 F159 W160L141-Y156 HydrophobicContact CB-CD1 3.38Å; L141-Y156 HydrophobicContact CB-CE1 3.51Å; L141-Y156 HydrophobicContact CB-CG 4.24Å; L141-Y156 HydrophobicContact CD1-CD1 3.79Å; L141-Y156 HydrophobicContact CD1-CE1 4.47Å; L141-Y156 HydrophobicContact CD1-CG 3.78Å; L141-Y156 HydrophobicContact CG-CD1 4.16Å; D142-Y156 VanDerWaalsContact CG-OH 3.28Å; D142-Y156 WeakPolarHBondContact OD1-CE1 3.39Å; D142-Y156 PolarHBondContact OD1-OH 3.23Å; L146-Y156 HydrophobicContact CB-CD1 3.78Å; L146-Y156 HydrophobicContact CB-CE1 4.27Å; L146-Y156 VanDerWaalsContact O-CE1 3.31Å; L146-Y156 WeakPolarHBondContact O-CE1 3.45Å; P148-Y156 HydrophobicContact CB-CD2 3.57Å; P148-Y156 HydrophobicContact CB-CE2 3.68Å; P148-Y156 VanDerWaalsContact CD-CE2 3.47Å; P148-Y156 HydrophobicContact CG-CD2 4.13Å; P148-Y156 HydrophobicContact CG-CE2 3.72Å; Y154-Y156 VanDerWaalsContact C-N 3.31Å; Y154-Y156 PolarHBondContact O-N 3.32Å; Y154-Y156 VanDerWaalsContact O-N 3.1Å; Y154-Y156 WeakPolarHBondContact OH-CB 3.22Å; Y156-V158 PolarHBondContact O-N 2.98Å; Y156-F159 PolarHBondContact O-N 3.22Å; Y156-F159 VanDerWaalsContact O-N 3.09Å; Y156-W160 HydrophobicContact CD2-CB 3.96Å; Y156-W160 HydrophobicContact CE2-CB 3.88Å; Y156-W160 HydrophobicContact CE2-CG 4.21Å; Y156-W160 WeakPolarHBondContact O-CB 3.35Å; Y156-W160 PolarHBondContact O-N 2.87Å
157Y94.5Very high92.4Very high44 Ų4448.7 Ų48.717%0.17324%0.235CC..Hα-helixtrans-57.4-40.3-176.4179.1-99.6000111.7I99 P148 R150 A153 Y154 W155 W160 I161I99-Y157 HydrophobicContact CD1-CD1 4.2Å; I99-Y157 HydrophobicContact CD1-CE1 3.91Å; P148-Y157 HydrophobicContact CB-CD2 4.34Å; R150-Y157 HydrophobicContact CB-CD2 4.31Å; R150-Y157 HydrophobicContact CB-CE2 3.65Å; A153-Y157 HydrophobicContact CB-CD1 3.57Å; A153-Y157 HydrophobicContact CB-CE1 3.95Å; A153-Y157 HydrophobicContact CB-CG 4.49Å; Y154-Y157 WeakPolarHBondContact O-CA 3.49Å; Y154-Y157 WeakPolarHBondContact O-CB 3.28Å; Y154-Y157 PolarHBondContact O-N 3.37Å; W155-Y157 PolarHBondContact O-N 3.35Å; Y157-W160 HydrophobicContact CD2-CE3 4.21Å; Y157-W160 HydrophobicContact CE2-CE3 4.17Å; Y157-W160 HydrophobicContact CE2-CZ3 4.22Å; Y157-W160 PolarHBondContact O-N 3.06Å; Y157-I161 HydrophobicContact CD1-CG1 4.17Å; Y157-I161 HydrophobicContact CD2-CG1 4.25Å; Y157-I161 HydrophobicContact CE1-CD1 4.48Å; Y157-I161 HydrophobicContact CE1-CG1 3.74Å; Y157-I161 HydrophobicContact CE2-CD1 3.92Å; Y157-I161 HydrophobicContact CE2-CG1 3.79Å; Y157-I161 HydrophobicContact CG-CG1 4.43Å; Y157-I161 WeakPolarHBondContact O-CG1 3.45Å; Y157-I161 PolarHBondContact O-N 3.49Å
158V95Very high92.6Very high0 Ų048.4 Ų48.40%023%0.227CC..Hα-helixtrans-59.4-49175.4177.40000111.3A55 A98 I99 I102 Y154 W155 Y156 I161 A162A55-V158 HydrophobicContact CB-CB 4.26Å; A55-V158 HydrophobicContact CB-CG1 4.21Å; A55-V158 HydrophobicContact CB-CG2 4.13Å; A98-V158 HydrophobicContact CB-CG1 4.16Å; A98-V158 HydrophobicContact CB-CG2 4.21Å; I99-V158 HydrophobicContact CG1-CB 4.28Å; I99-V158 HydrophobicContact CG1-CG1 3.96Å; I99-V158 HydrophobicContact CG1-CG2 4.13Å; I102-V158 HydrophobicContact CD1-CG1 3.7Å; Y154-V158 PolarHBondContact O-N 3.4Å; Y154-V158 VanDerWaalsContact O-N 3.09Å; W155-V158 PolarHBondContact O-N 2.92Å; Y156-V158 PolarHBondContact O-N 2.98Å; V158-I161 PolarHBondContact O-N 3.37Å; V158-A162 WeakPolarHBondContact O-CB 3.39Å; V158-A162 PolarHBondContact O-N 2.92Å
159F94.8Very high92.6Very high14 Ų1447.8 Ų47.86%0.06122%0.222CC..Hα-helixtrans-65.9-38.8177.7-63.7-36.4000112.5V52 V134 L137 L141 W155 Y156 A162 L163V52-F159 HydrophobicContact CG2-CE1 4.3Å; V134-F159 HydrophobicContact CG1-CB 4.01Å; V134-F159 WeakPolarHBondContact CG1-O 3.4Å; L137-F159 HydrophobicContact CB-CD2 4.4Å; L137-F159 HydrophobicContact CD1-CD1 4.41Å; L137-F159 HydrophobicContact CD1-CD2 4.49Å; L137-F159 HydrophobicContact CD1-CE1 4.3Å; L137-F159 HydrophobicContact CD1-CE2 4.36Å; L137-F159 HydrophobicContact CD1-CZ 4.28Å; L141-F159 HydrophobicContact CD1-CD2 4.02Å; W155-F159 HydrophobicContact CB-CE2 4.29Å; W155-F159 AromaticContact CE3-CE2 3.88Å; W155-F159 HydrophobicContact CE3-CE2 3.88Å; W155-F159 VanDerWaalsContact O-CD2 3.26Å; W155-F159 WeakPolarHBondContact O-CD2 3.4Å; W155-F159 WeakPolarHBondContact O-CG 3.17Å; W155-F159 PolarHBondContact O-N 3.39Å; Y156-F159 PolarHBondContact O-N 3.22Å; Y156-F159 VanDerWaalsContact O-N 3.09Å; F159-A162 PolarHBondContact O-N 3.42Å; F159-L163 WeakPolarHBondContact O-CB 3.3Å; F159-L163 PolarHBondContact O-N 2.96Å
160W95.2Very high92.7Very high106 Ų10648.9 Ų48.940%0.40222%0.223SC..Hα-helixtrans-63.7-43.6177.3-175.876.1000112.2P148 Y156 Y157 L163 L164P148-W160 HydrophobicContact CB-CB 4.19Å; P148-W160 HydrophobicContact CB-CD2 4.06Å; P148-W160 HydrophobicContact CB-CE3 4.24Å; P148-W160 HydrophobicContact CB-CG 4.03Å; P148-W160 HydrophobicContact CG-CD2 4.17Å; P148-W160 HydrophobicContact CG-CG 4.17Å; Y156-W160 HydrophobicContact CD2-CB 3.96Å; Y156-W160 HydrophobicContact CE2-CB 3.88Å; Y156-W160 HydrophobicContact CE2-CG 4.21Å; Y156-W160 WeakPolarHBondContact O-CB 3.35Å; Y156-W160 PolarHBondContact O-N 2.87Å; Y157-W160 HydrophobicContact CD2-CE3 4.21Å; Y157-W160 HydrophobicContact CE2-CE3 4.17Å; Y157-W160 HydrophobicContact CE2-CZ3 4.22Å; Y157-W160 PolarHBondContact O-N 3.06Å; W160-L163 WeakPolarHBondContact O-CB 3.31Å; W160-L163 PolarHBondContact O-N 3.44Å; W160-L164 PolarHBondContact O-N 3.08Å
161I95.4Very high93.1Very high31 Ų3144.7 Ų44.716%0.15921%0.214CC..Hα-helixtrans-67.3-38.8174.5-67-63.3000111.4I99 Y157 V158 L163 L164 S165I99-I161 HydrophobicContact CD1-CB 4.11Å; I99-I161 HydrophobicContact CD1-CG1 4.24Å; I99-I161 HydrophobicContact CD1-CG2 4.05Å; I99-I161 HydrophobicContact CG1-CG2 4.46Å; I99-I161 HydrophobicContact CG2-CG2 3.94Å; Y157-I161 HydrophobicContact CD1-CG1 4.17Å; Y157-I161 HydrophobicContact CD2-CG1 4.25Å; Y157-I161 HydrophobicContact CE1-CD1 4.48Å; Y157-I161 HydrophobicContact CE1-CG1 3.74Å; Y157-I161 HydrophobicContact CE2-CD1 3.92Å; Y157-I161 HydrophobicContact CE2-CG1 3.79Å; Y157-I161 HydrophobicContact CG-CG1 4.43Å; Y157-I161 WeakPolarHBondContact O-CG1 3.45Å; Y157-I161 PolarHBondContact O-N 3.49Å; V158-I161 PolarHBondContact O-N 3.37Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L164 PolarHBondContact O-N 2.96Å; I161-S165 WeakPolarHBondContact O-CB 3.38Å; I161-S165 PolarHBondContact O-N 3.44Å; I161-S165 PolarHBondContact O-OG 3.13Å
162A95.2Very high93.1Very high8 Ų842.9 Ų42.97%0.06621%0.214CC..Hα-helixtrans-60.9-44.3174.500000111.1I102 V158 F159 S165 F166I102-A162 HydrophobicContact CG2-CB 4.45Å; V158-A162 WeakPolarHBondContact O-CB 3.39Å; V158-A162 PolarHBondContact O-N 2.92Å; F159-A162 PolarHBondContact O-N 3.42Å; A162-S165 PolarHBondContact O-N 2.98Å; A162-F166 HydrophobicContact CB-CE2 4.06Å; A162-F166 HydrophobicContact CB-CZ 3.99Å; A162-F166 WeakPolarHBondContact O-CB 3.43Å; A162-F166 VanDerWaalsContact O-CD1 3.31Å; A162-F166 WeakPolarHBondContact O-CD1 3.27Å; A162-F166 WeakPolarHBondContact O-CD2 3.01Å; A162-F166 WeakPolarHBondContact O-CG 3.05Å; A162-F166 PolarHBondContact O-N 3.41Å
163L96.1Very high93.3Very high31 Ų3144.1 Ų44.116%0.16222%0.221CC..Hα-helixtrans-58.9-48.9176.417958.8000112I131 V134 T135 F159 W160 I161 S165 F166 T167I131-L163 HydrophobicContact CG2-CD1 3.94Å; V134-L163 HydrophobicContact CG1-CB 3.78Å; T135-L163 VanDerWaalsContact OG1-CD1 3.31Å; T135-L163 WeakPolarHBondContact OG1-CD1 3.32Å; F159-L163 WeakPolarHBondContact O-CB 3.3Å; F159-L163 PolarHBondContact O-N 2.96Å; W160-L163 WeakPolarHBondContact O-CB 3.31Å; W160-L163 PolarHBondContact O-N 3.44Å; I161-L163 VanDerWaalsContact C-N 3.34Å; L163-S165 VanDerWaalsContact C-N 3.34Å; L163-S165 PolarHBondContact O-N 2.88Å; L163-F166 PolarHBondContact O-N 3.29Å; L163-T167 WeakPolarHBondContact O-CB 3.44Å; L163-T167 PolarHBondContact O-N 3.47Å; L163-T167 PolarHBondContact O-OG1 3Å
164L94.8Very high93.2Very high83 Ų8347.5 Ų47.544%0.43524%0.237SC..Hα-helixtrans-58.7-49177.6-177.660.9000110.4W160 I161 F166 T167 D168W160-L164 PolarHBondContact O-N 3.08Å; I161-L164 PolarHBondContact O-N 2.96Å; L164-F166 PolarHBondContact O-N 3.36Å; L164-T167 WeakPolarHBondContact O-CB 3.31Å; L164-T167 PolarHBondContact O-N 3.37Å; L164-D168 PolarHBondContact O-N 3.49Å
165S94.5Very high93.1Very high51 Ų5150.7 Ų50.736%0.35726%0.259SS..Hα-helixtrans-62.6-42.1-179.2-56.10000112.6I161 A162 L163 T167 D168 V169I161-S165 WeakPolarHBondContact O-CB 3.38Å; I161-S165 PolarHBondContact O-N 3.44Å; I161-S165 PolarHBondContact O-OG 3.13Å; A162-S165 PolarHBondContact O-N 2.98Å; L163-S165 VanDerWaalsContact C-N 3.34Å; L163-S165 PolarHBondContact O-N 2.88Å; S165-T167 VanDerWaalsContact C-N 3.34Å; S165-D168 PolarHBondContact O-N 3.07Å; S165-V169 VanDerWaalsContact O-CG2 3.3Å; S165-V169 WeakPolarHBondContact O-CG2 3.38Å; S165-V169 PolarHBondContact O-N 3.27Å
166F94.3Very high92.7Very high12 Ų1249.5 Ų49.55%0.05326%0.259CS..Hα-helixtrans-67.7-37.9178.3-60.9-14.8000111.5I102 V106 I127 L130 I131 V134 A162 L163 L164 V169 F170I102-F166 HydrophobicContact CG2-CE1 4.25Å; I102-F166 HydrophobicContact CG2-CZ 3.72Å; V106-F166 HydrophobicContact CB-CE1 4.38Å; V106-F166 HydrophobicContact CG2-CD1 4.17Å; V106-F166 HydrophobicContact CG2-CE1 3.44Å; V106-F166 VanDerWaalsContact CG2-CE1 3.44Å; V106-F166 HydrophobicContact CG2-CZ 3.95Å; I127-F166 HydrophobicContact CG2-CB 4.4Å; L130-F166 HydrophobicContact CB-CD2 3.85Å; L130-F166 HydrophobicContact CB-CE2 3.96Å; L130-F166 HydrophobicContact CD1-CE2 4.44Å; I131-F166 HydrophobicContact CD1-CB 4.37Å; I131-F166 HydrophobicContact CG1-CB 3.65Å; V134-F166 HydrophobicContact CG2-CD2 4.27Å; V134-F166 HydrophobicContact CG2-CE2 3.91Å; A162-F166 HydrophobicContact CB-CE2 4.06Å; A162-F166 HydrophobicContact CB-CZ 3.99Å; A162-F166 WeakPolarHBondContact O-CB 3.43Å; A162-F166 VanDerWaalsContact O-CD1 3.31Å; A162-F166 WeakPolarHBondContact O-CD1 3.27Å; A162-F166 WeakPolarHBondContact O-CD2 3.01Å; A162-F166 WeakPolarHBondContact O-CG 3.05Å; A162-F166 PolarHBondContact O-N 3.41Å; L163-F166 PolarHBondContact O-N 3.29Å; L164-F166 PolarHBondContact O-N 3.36Å; F166-V169 PolarHBondContact O-N 2.86Å; F166-F170 VanDerWaalsContact O-CB 3.31Å; F166-F170 WeakPolarHBondContact O-CB 3.38Å; F166-F170 PolarHBondContact O-N 2.94Å
167T95.5Very high92.3Very high49 Ų4951.6 Ų51.630%0.30127%0.272SS..Hα-helixtrans-62.2-45.7174.3-56.40000110.5L163 L164 S165 F170 L171L163-T167 WeakPolarHBondContact O-CB 3.44Å; L163-T167 PolarHBondContact O-N 3.47Å; L163-T167 PolarHBondContact O-OG1 3Å; L164-T167 WeakPolarHBondContact O-CB 3.31Å; L164-T167 PolarHBondContact O-N 3.37Å; S165-T167 VanDerWaalsContact C-N 3.34Å; T167-F170 PolarHBondContact O-N 3.35Å; T167-L171 HydrophobicContact CG2-CD1 4.13Å; T167-L171 HydrophobicContact CG2-CG 4.45Å; T167-L171 VanDerWaalsContact O-CG 3.31Å; T167-L171 WeakPolarHBondContact O-CG 3.29Å; T167-L171 PolarHBondContact O-N 3.3Å
168D92.8Very high92Very high79 Ų7953.8 Ų53.842%0.42229%0.286SS..Hα-helixtrans-61.5-47.2177.8-70.1-21.8000111.9L164 S165 F170 L171 L172L164-D168 PolarHBondContact O-N 3.49Å; S165-D168 PolarHBondContact O-N 3.07Å; D168-F170 VanDerWaalsContact C-N 3.3Å; D168-F170 PolarHBondContact O-N 3.06Å; D168-L171 PolarHBondContact O-N 3.11Å; D168-L172 WeakPolarHBondContact O-CB 3.47Å; D168-L172 VanDerWaalsContact O-CG 3.3Å; D168-L172 WeakPolarHBondContact O-CG 3.45Å; D168-L172 PolarHBondContact O-N 3.36Å
169V91.5Very high91.5Very high36 Ų3655.4 Ų55.422%0.21830%0.299CS..Hα-helixtrans-60.7-41.4176.2173.90000111L110 I127 S165 F166 L172 L173L110-V169 HydrophobicContact CD1-CG1 3.81Å; L110-V169 HydrophobicContact CD2-CG1 3.99Å; L110-V169 HydrophobicContact CG-CG1 4.44Å; I127-V169 HydrophobicContact CD1-CG1 3.69Å; S165-V169 VanDerWaalsContact O-CG2 3.3Å; S165-V169 WeakPolarHBondContact O-CG2 3.38Å; S165-V169 PolarHBondContact O-N 3.27Å; F166-V169 PolarHBondContact O-N 2.86Å; V169-L172 PolarHBondContact O-N 3.49Å; V169-L173 WeakPolarHBondContact O-CB 3.3Å; V169-L173 PolarHBondContact O-N 2.96Å
170F92.3Very high90.8Very high56 Ų5657.7 Ų57.725%0.24631%0.309CS..Hα-helixtrans-64.6-43.7177.7-174.5-97000112I127 A128 I131 F166 T167 D168 L173 M174I127-F170 HydrophobicContact CB-CD2 4.47Å; I127-F170 HydrophobicContact CG2-CB 3.92Å; I127-F170 HydrophobicContact CG2-CD2 4.2Å; A128-F170 HydrophobicContact CB-CE2 4.12Å; I131-F170 HydrophobicContact CD1-CB 3.78Å; I131-F170 HydrophobicContact CD1-CG 4.09Å; F166-F170 VanDerWaalsContact O-CB 3.31Å; F166-F170 WeakPolarHBondContact O-CB 3.38Å; F166-F170 PolarHBondContact O-N 2.94Å; T167-F170 PolarHBondContact O-N 3.35Å; D168-F170 VanDerWaalsContact C-N 3.3Å; D168-F170 PolarHBondContact O-N 3.06Å; F170-L173 WeakPolarHBondContact O-CB 3.41Å; F170-L173 PolarHBondContact O-N 2.92Å; F170-M174 HydrophobicContact CD1-CG 4.26Å; F170-M174 HydrophobicContact CD2-CE 4.46Å; F170-M174 HydrophobicContact CE1-CE 4.21Å; F170-M174 HydrophobicContact CE1-CG 3.96Å; F170-M174 HydrophobicContact CE1-SD 4.42Å; F170-M174 HydrophobicContact CE2-CE 3.84Å; F170-M174 HydrophobicContact CZ-CE 3.69Å; F170-M174 HydrophobicContact CZ-CG 4.39Å; F170-M174 HydrophobicContact CZ-SD 4.33Å; F170-M174 WeakPolarHBondContact O-CG 3.44Å; F170-M174 PolarHBondContact O-N 2.81Å
171L92.8Very high90.3Very high97 Ų9758.1 Ų58.151%0.50832%0.319SS..Hα-helixtrans-63-44.6176.2-71.9173.3000111.4T167 D168 L173 M174 V175T167-L171 HydrophobicContact CG2-CD1 4.13Å; T167-L171 HydrophobicContact CG2-CG 4.45Å; T167-L171 VanDerWaalsContact O-CG 3.31Å; T167-L171 WeakPolarHBondContact O-CG 3.29Å; T167-L171 PolarHBondContact O-N 3.3Å; D168-L171 PolarHBondContact O-N 3.11Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 3.46Å; L171-M174 WeakPolarHBondContact O-CB 3.2Å; L171-M174 PolarHBondContact O-N 3.28Å; L171-M174 VanDerWaalsContact O-N 3.17Å; L171-V175 WeakPolarHBondContact O-CG2 3.4Å; L171-V175 PolarHBondContact O-N 3.2Å
172L88.8Confident89.8Confident103 Ų10362.8 Ų62.854%0.53934%0.338SS..Hα-helixtrans-59.5-42.8174.7-72.7171.2000111.3D168 V169 M174 V175 T176D168-L172 WeakPolarHBondContact O-CB 3.47Å; D168-L172 VanDerWaalsContact O-CG 3.3Å; D168-L172 WeakPolarHBondContact O-CG 3.45Å; D168-L172 PolarHBondContact O-N 3.36Å; V169-L172 PolarHBondContact O-N 3.49Å; L172-M174 VanDerWaalsContact C-N 3.33Å; L172-M174 PolarHBondContact O-N 2.81Å; L172-V175 PolarHBondContact O-N 3.43Å; L172-T176 PolarHBondContact O-N 2.82Å; L172-T176 PolarHBondContact O-OG1 3.17Å
173L87.8Confident88.9Confident32 Ų3265 Ų6517%0.16835%0.345CS..Hα-helixtrans-59.5-43.7175.3-171.467.7000111.6V120 V169 F170 L171 T176 V177V120-L173 HydrophobicContact CG1-CD1 3.9Å; V120-L173 HydrophobicContact CG1-CD2 4.3Å; V120-L173 HydrophobicContact CG1-CG 4.22Å; V169-L173 WeakPolarHBondContact O-CB 3.3Å; V169-L173 PolarHBondContact O-N 2.96Å; F170-L173 WeakPolarHBondContact O-CB 3.41Å; F170-L173 PolarHBondContact O-N 2.92Å; L171-L173 VanDerWaalsContact C-N 3.31Å; L171-L173 PolarHBondContact O-N 3.46Å; L173-T176 PolarHBondContact O-N 2.88Å; L173-V177 WeakPolarHBondContact O-CG2 3.3Å; L173-V177 PolarHBondContact O-N 3.28Å
174M89.6Confident88.1Confident73 Ų7371.5 Ų71.536%0.3637%0.369SS..Hα-helixtrans-62.4-45.3176.2-68.3-61.7118.700111.7F170 L171 L172 T176 V177 I178F170-M174 HydrophobicContact CD1-CG 4.26Å; F170-M174 HydrophobicContact CD2-CE 4.46Å; F170-M174 HydrophobicContact CE1-CE 4.21Å; F170-M174 HydrophobicContact CE1-CG 3.96Å; F170-M174 HydrophobicContact CE1-SD 4.42Å; F170-M174 HydrophobicContact CE2-CE 3.84Å; F170-M174 HydrophobicContact CZ-CE 3.69Å; F170-M174 HydrophobicContact CZ-CG 4.39Å; F170-M174 HydrophobicContact CZ-SD 4.33Å; F170-M174 WeakPolarHBondContact O-CG 3.44Å; F170-M174 PolarHBondContact O-N 2.81Å; L171-M174 WeakPolarHBondContact O-CB 3.2Å; L171-M174 PolarHBondContact O-N 3.28Å; L171-M174 VanDerWaalsContact O-N 3.17Å; L172-M174 VanDerWaalsContact C-N 3.33Å; L172-M174 PolarHBondContact O-N 2.81Å; M174-T176 VanDerWaalsContact C-N 3.31Å; M174-T176 PolarHBondContact O-N 2.97Å; M174-V177 PolarHBondContact O-N 2.97Å; M174-I178 WeakPolarHBondContact O-CB 3.33Å; M174-I178 VanDerWaalsContact O-CG1 3.28Å; M174-I178 WeakPolarHBondContact O-CG1 3.39Å; M174-I178 PolarHBondContact O-N 3.28Å
175V88.6Confident87.5Confident92 Ų9277.8 Ų77.856%0.55839%0.387SS*.Hα-helixtrans-59.2-44.5176.3171.40000110.7L171 L172 I178 A179L171-V175 WeakPolarHBondContact O-CG2 3.4Å; L171-V175 PolarHBondContact O-N 3.2Å; L172-V175 PolarHBondContact O-N 3.43Å; V175-I178 PolarHBondContact O-N 3.05Å; V175-A179 WeakPolarHBondContact O-CB 3.37Å; V175-A179 PolarHBondContact O-N 3.28Å
176T83.6Confident86.9Confident35 Ų3580.8 Ų80.822%0.21540%0.399CS..Hα-helixtrans-62.1-44.5176.8-56.50000111.8L172 L173 M174 A179 F180L172-T176 PolarHBondContact O-N 2.82Å; L172-T176 PolarHBondContact O-OG1 3.17Å; L173-T176 PolarHBondContact O-N 2.88Å; M174-T176 VanDerWaalsContact C-N 3.31Å; M174-T176 PolarHBondContact O-N 2.97Å; T176-A179 PolarHBondContact O-N 2.93Å; T176-F180 HydrophobicContact CG2-CD2 3.75Å; T176-F180 HydrophobicContact CG2-CE2 3.38Å; T176-F180 HydrophobicContact CG2-CZ 4.3Å; T176-F180 WeakPolarHBondContact O-CD2 3.4Å; T176-F180 PolarHBondContact O-N 3.35Å
177V85.5Confident85.6Confident51 Ų5182.4 Ų82.431%0.30942%0.418SS..Hα-helixtrans-62.3-44.9176.5170.30000111.2V120 L173 M174 A179 F180 L181V120-V177 HydrophobicContact CG1-CG2 3.84Å; L173-V177 WeakPolarHBondContact O-CG2 3.3Å; L173-V177 PolarHBondContact O-N 3.28Å; M174-V177 PolarHBondContact O-N 2.97Å; V177-A179 PolarHBondContact O-N 3.43Å; V177-F180 WeakPolarHBondContact O-CB 3.38Å; V177-F180 PolarHBondContact O-N 3.42Å; V177-L181 HydrophobicContact CG1-CD1 4.28Å; V177-L181 HydrophobicContact CG1-CG 4.48Å; V177-L181 WeakPolarHBondContact O-CG 3.48Å; V177-L181 PolarHBondContact O-N 3.43Å
178I87.5Confident83.7Confident90 Ų9084.6 Ų84.646%0.46243%0.428SS..Hα-helixtrans-60.8-46.2177.1-69.4166.1000110.5M174 V175 F180 L181 F182M174-I178 WeakPolarHBondContact O-CB 3.33Å; M174-I178 VanDerWaalsContact O-CG1 3.28Å; M174-I178 WeakPolarHBondContact O-CG1 3.39Å; M174-I178 PolarHBondContact O-N 3.28Å; V175-I178 PolarHBondContact O-N 3.05Å; I178-F180 VanDerWaalsContact C-N 3.29Å; I178-F180 PolarHBondContact O-N 2.96Å; I178-L181 WeakPolarHBondContact O-CB 3.31Å; I178-L181 PolarHBondContact O-N 3.35Å; I178-L181 VanDerWaalsContact O-N 3.12Å; I178-F182 HydrophobicContact CG2-CD2 3.72Å; I178-F182 HydrophobicContact CG2-CE2 3.62Å; I178-F182 VanDerWaalsContact O-CD2 3.31Å; I178-F182 WeakPolarHBondContact O-CD2 3.41Å; I178-F182 PolarHBondContact O-N 3.14Å
179A84.1Confident81.8Confident35 Ų3586.8 Ų86.829%0.28944%0.435SS..Hα-helixtrans-58.8-41176.700000111.8V175 T176 V177 F182 Y183 L200V175-A179 WeakPolarHBondContact O-CB 3.37Å; V175-A179 PolarHBondContact O-N 3.28Å; T176-A179 PolarHBondContact O-N 2.93Å; V177-A179 PolarHBondContact O-N 3.43Å; A179-F182 PolarHBondContact O-N 3.05Å; A179-Y183 WeakPolarHBondContact O-CB 3.47Å; A179-Y183 PolarHBondContact O-N 2.92Å; A179-L200 HydrophobicContact CB-CD2 3.94Å
180F80Confident79.9Confident61 Ų6188.7 Ų88.727%0.26845%0.447SS..Hα-helixtrans-64.1-40.4173.8-79.1-52.8000113.2T176 V177 I178 F182 Y183 Y184 Y197 L200T176-F180 HydrophobicContact CG2-CD2 3.75Å; T176-F180 HydrophobicContact CG2-CE2 3.38Å; T176-F180 HydrophobicContact CG2-CZ 4.3Å; T176-F180 WeakPolarHBondContact O-CD2 3.4Å; T176-F180 PolarHBondContact O-N 3.35Å; V177-F180 WeakPolarHBondContact O-CB 3.38Å; V177-F180 PolarHBondContact O-N 3.42Å; I178-F180 VanDerWaalsContact C-N 3.29Å; I178-F180 PolarHBondContact O-N 2.96Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F180-Y183 PolarHBondContact O-N 3.39Å; F180-Y184 WeakPolarHBondContact O-CB 3.14Å; F180-Y184 PolarHBondContact O-N 3.48Å; F180-Y197 AromaticContact CE1-CD1 3.59Å; F180-Y197 HydrophobicContact CE1-CD1 3.59Å; F180-Y197 AromaticContact CE1-CE1 3.94Å; F180-Y197 HydrophobicContact CE1-CE1 3.94Å; F180-Y197 AromaticContact CZ-CD1 3.91Å; F180-Y197 HydrophobicContact CZ-CD1 3.91Å; F180-Y197 HydrophobicContact CZ-CE1 4.42Å; F180-L200 HydrophobicContact CD1-CD1 3.75Å; F180-L200 HydrophobicContact CD2-CD1 4.44Å; F180-L200 HydrophobicContact CE1-CD1 3.15Å; F180-L200 HydrophobicContact CE2-CD1 3.97Å; F180-L200 HydrophobicContact CG-CD1 4.35Å; F180-L200 HydrophobicContact CZ-CD1 3.28Å
181L85.3Confident77.9Confident115 Ų11594.3 Ų94.360%0.60248%0.48SS*.Hα-helixtrans-62.9-41.9176.1-69.1173.7000111.5V177 I178 R185V177-L181 HydrophobicContact CG1-CD1 4.28Å; V177-L181 HydrophobicContact CG1-CG 4.48Å; V177-L181 WeakPolarHBondContact O-CG 3.48Å; V177-L181 PolarHBondContact O-N 3.43Å; I178-L181 WeakPolarHBondContact O-CB 3.31Å; I178-L181 PolarHBondContact O-N 3.35Å; I178-L181 VanDerWaalsContact O-N 3.12Å; L181-R185 WeakPolarHBondContact O-CB 3.38Å; L181-R185 PolarHBondContact O-N 3.27Å
182F84.2Confident75.8Confident129 Ų12994 Ų9457%0.56648%0.477SS*.Hα-helixtrans-63.1-44.5173.7-85.5-73.2000112I178 A179 F180 R185 N186I178-F182 HydrophobicContact CG2-CD2 3.72Å; I178-F182 HydrophobicContact CG2-CE2 3.62Å; I178-F182 VanDerWaalsContact O-CD2 3.31Å; I178-F182 WeakPolarHBondContact O-CD2 3.41Å; I178-F182 PolarHBondContact O-N 3.14Å; A179-F182 PolarHBondContact O-N 3.05Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F182-R185 PolarHBondContact O-N 3.48Å; F182-N186 WeakPolarHBondContact O-CB 3.41Å; F182-N186 PolarHBondContact O-N 3.2Å; F182-N186 PolarHBondContact O-ND2 3.26Å
183Y77.7Confident74Confident55 Ų5597.1 Ų97.122%0.21648%0.482CS..Hα-helixtrans-59.3-48.7177.9-178.5-92.7000111.8A179 F180 N186 L188 T190 M192 Y199A179-Y183 WeakPolarHBondContact O-CB 3.47Å; A179-Y183 PolarHBondContact O-N 2.92Å; F180-Y183 PolarHBondContact O-N 3.39Å; Y183-N186 PolarHBondContact O-N 2.79Å; Y183-L188 HydrophobicContact CD2-CB 4.38Å; Y183-L188 HydrophobicContact CD2-CD1 4.27Å; Y183-L188 HydrophobicContact CE1-CB 4.39Å; Y183-L188 HydrophobicContact CE2-CB 3.89Å; Y183-L188 HydrophobicContact CE2-CD1 4.22Å; Y183-L188 PolarHBondContact OH-O 3.46Å; Y183-T190 PolarHBondContact OH-OG1 3.44Å; Y183-M192 PolarHBondContact OH-SD 2.98Å; Y183-Y199 HydrophobicContact CD2-CE2 4.35Å; Y183-Y199 AromaticContact CD2-CZ 3.88Å; Y183-Y199 WeakPolarHBondContact CD2-OH 3.39Å; Y183-Y199 HydrophobicContact CE2-CE1 4.28Å; Y183-Y199 AromaticContact CE2-CZ 3.97Å; Y183-Y199 VanDerWaalsContact CG-OH 3.32Å
184Y78.1Confident72.4Confident168 Ų16897.6 Ų97.666%0.65949%0.488SS*.Hα-helixtrans-66-40.5178.4-168.2-92.7000112.2F180 N186 G187 H189F180-Y184 WeakPolarHBondContact O-CB 3.14Å; F180-Y184 PolarHBondContact O-N 3.48Å; Y184-N186 VanDerWaalsContact C-N 3.34Å; Y184-N186 PolarHBondContact O-N 3.1Å; Y184-G187 PolarHBondContact O-N 3.44Å; Y184-H189 AromaticContact CE2-CE1 3.85Å; Y184-H189 AromaticContact CZ-CE1 3.85Å
185R83.2Confident70.4Confident215 Ų21598.8 Ų98.881%0.81149%0.492SS*.Hα-helixtrans-65.9-34.7179.3179.8165.1177.9136-0.9113.1L181 F182 G187L181-R185 WeakPolarHBondContact O-CB 3.38Å; L181-R185 PolarHBondContact O-N 3.27Å; F182-R185 PolarHBondContact O-N 3.48Å; R185-G187 PolarHBondContact O-N 3.43Å
186N82.1Confident68.5Low114 Ų11497.8 Ų97.861%0.6148%0.484SS*.THydrogen-bonded Turntrans-76.87.8179.3-72.5-30.3000113.5F182 Y183 Y184 L188F182-N186 WeakPolarHBondContact O-CB 3.41Å; F182-N186 PolarHBondContact O-N 3.2Å; F182-N186 PolarHBondContact O-ND2 3.26Å; Y183-N186 PolarHBondContact O-N 2.79Å; Y184-N186 VanDerWaalsContact C-N 3.34Å; Y184-N186 PolarHBondContact O-N 3.1Å; N186-L188 HydrophobicContact CB-CD1 4.45Å; N186-L188 PolarHBondContact O-N 2.94Å; N186-L188 VanDerWaalsContact O-N 3.15Å
187G66.2Low67.1Low45 Ų45102 Ų10246%0.46450%0.497SS..THydrogen-bonded Turntrans6719.8169.700000114.1Y184 R185 H189Y184-G187 PolarHBondContact O-N 3.44Å; R185-G187 PolarHBondContact O-N 3.43Å; G187-H189 PolarHBondContact O-N 3.24Å
188L56.6Low65.5Low96 Ų96106 Ų10650%0.50351%0.507SS..  trans-71.958.6167-76.3145.9000109.1Y183 N186 T190Y183-L188 HydrophobicContact CD2-CB 4.38Å; Y183-L188 HydrophobicContact CD2-CD1 4.27Å; Y183-L188 HydrophobicContact CE1-CB 4.39Å; Y183-L188 HydrophobicContact CE2-CB 3.89Å; Y183-L188 HydrophobicContact CE2-CD1 4.22Å; Y183-L188 PolarHBondContact OH-O 3.46Å; N186-L188 HydrophobicContact CB-CD1 4.45Å; N186-L188 PolarHBondContact O-N 2.94Å; N186-L188 VanDerWaalsContact O-N 3.15Å; L188-T190 PolarHBondContact O-N 2.92Å
189H51.8Low63.8Low124 Ų124105.7 Ų105.757%0.57450%0.501SS*.  trans-76.744169.9-66.4-80.6000110.2Y184 G187 N191Y184-H189 AromaticContact CE2-CE1 3.85Å; Y184-H189 AromaticContact CZ-CE1 3.85Å; G187-H189 PolarHBondContact O-N 3.24Å; H189-N191 PolarHBondContact O-N 3.49Å
190T51.5Low62.4Low76 Ų76106.5 Ų106.547%0.46650%0.5SS..  trans-58136.4159.143.50000106.1Y183 L188 M192Y183-T190 PolarHBondContact OH-OG1 3.44Å; L188-T190 PolarHBondContact O-N 2.92Å; T190-M192 PolarHBondContact O-N 3.4Å; T190-M192 WeakPolarHBondContact OG1-CE 3.23Å; T190-M192 WeakPolarHBondContact OG1-CG 3.46Å
191N51Low61.1Low175 Ų175111.5 Ų111.594%0.93652%0.518SS*.  trans-61.259.2173.1-83-49.6000110.2H189 R193H189-N191 PolarHBondContact O-N 3.49Å; N191-R193 PolarHBondContact O-N 3.31Å
192M49.8Very low59.8Low91 Ų91109.6 Ų109.645%0.44851%0.508SS..  trans-83.9109.7-176.1-91.1-164-16600105.4Y183 T190 D196Y183-M192 PolarHBondContact OH-SD 2.98Å; T190-M192 PolarHBondContact O-N 3.4Å; T190-M192 WeakPolarHBondContact OG1-CE 3.23Å; T190-M192 WeakPolarHBondContact OG1-CG 3.46Å; M192-D196 VanDerWaalsContact C-OD2 3.3Å; M192-D196 WeakPolarHBondContact CA-OD2 3.34Å; M192-D196 HydrophobicContact CB-CB 3.69Å; M192-D196 VanDerWaalsContact CB-OD2 3.24Å; M192-D196 WeakPolarHBondContact CB-OD2 3.37Å; M192-D196 HydrophobicContact CG-CB 3.51Å; M192-D196 VanDerWaalsContact CG-OD2 3.23Å; M192-D196 WeakPolarHBondContact CG-OD2 3.23Å; M192-D196 HydrophobicContact SD-CB 3.39Å; M192-D196 WeakPolarHBondContact SD-CB 3.34Å
193R50.1Low58.8Low168 Ų168104.8 Ų104.863%0.63450%0.495SS*.  trans-57.5158.2173.6-168.4167.9169.5152-1.2106N191 E195 D196N191-R193 PolarHBondContact O-N 3.31Å; R193-E195 HydrophobicContact CB-CB 4.41Å; R193-E195 HydrophobicContact CG-CB 4.43Å; R193-E195 HydrophobicContact CG-CG 4.36Å; R193-E195 IonicContact CZ-OE1 2.95Å; R193-E195 VanDerWaalsContact NE-CD 3.33Å; R193-E195 IonicContact NE-OE1 2.82Å; R193-E195 PolarHBondContact NE-OE1 3.44Å; R193-E195 IonicContact NE-OE2 3.44Å; R193-E195 PolarHBondContact NE-OE2 2.83Å; R193-E195 IonicContact NH2-OE1 3.66Å; R193-E195 PolarHBondContact NH2-OE1 3.46Å; R193-E195 PolarHBondContact O-N 3.26Å; R193-D196 PolarHBondContact N-OD2 3.17Å; R193-D196 PolarHBondContact O-N 3.39Å
194S53.2Low58.6Low42 Ų42105.7 Ų105.729%0.29450%0.504SS..THydrogen-bonded Turntrans-54.2-6.4172.2570000114.9R117 Y197R117-S194 PolarHBondContact NH2-OG 3.35Å; S194-Y197 VanDerWaalsContact CA-CE2 3.4Å; S194-Y197 WeakPolarHBondContact O-CD2 3.34Å
195E48.5Very low58.7Low98 Ų98100.7 Ų100.746%0.45849%0.488SS..THydrogen-bonded Turntrans-77-25.8172.8-71.6159.9-151.600111.8R193 Y197 Y198R193-E195 HydrophobicContact CB-CB 4.41Å; R193-E195 HydrophobicContact CG-CB 4.43Å; R193-E195 HydrophobicContact CG-CG 4.36Å; R193-E195 IonicContact CZ-OE1 2.95Å; R193-E195 VanDerWaalsContact NE-CD 3.33Å; R193-E195 IonicContact NE-OE1 2.82Å; R193-E195 PolarHBondContact NE-OE1 3.44Å; R193-E195 IonicContact NE-OE2 3.44Å; R193-E195 PolarHBondContact NE-OE2 2.83Å; R193-E195 IonicContact NH2-OE1 3.66Å; R193-E195 PolarHBondContact NH2-OE1 3.46Å; R193-E195 PolarHBondContact O-N 3.26Å; E195-Y197 VanDerWaalsContact C-N 3.3Å; E195-Y197 PolarHBondContact O-N 2.91Å; E195-Y198 WeakPolarHBondContact O-CD2 3.47Å; E195-Y198 WeakPolarHBondContact O-CE2 3.13Å
196D49.3Very low58.6Low70 Ų7098 Ų9837%0.37448%0.478SS..THydrogen-bonded Turntrans-81.4-4.3-176.5-57.8-57.1000114.2M192 R193 Y198 Y199M192-D196 VanDerWaalsContact C-OD2 3.3Å; M192-D196 WeakPolarHBondContact CA-OD2 3.34Å; M192-D196 HydrophobicContact CB-CB 3.69Å; M192-D196 VanDerWaalsContact CB-OD2 3.24Å; M192-D196 WeakPolarHBondContact CB-OD2 3.37Å; M192-D196 HydrophobicContact CG-CB 3.51Å; M192-D196 VanDerWaalsContact CG-OD2 3.23Å; M192-D196 WeakPolarHBondContact CG-OD2 3.23Å; M192-D196 HydrophobicContact SD-CB 3.39Å; M192-D196 WeakPolarHBondContact SD-CB 3.34Å; R193-D196 PolarHBondContact N-OD2 3.17Å; R193-D196 PolarHBondContact O-N 3.39Å; D196-Y198 PolarHBondContact O-N 3.45Å; D196-Y199 VanDerWaalsContact O-CD1 3.23Å; D196-Y199 WeakPolarHBondContact O-CD1 3.26Å; D196-Y199 PolarHBondContact O-N 3.14Å
197Y54.2Low58.5Low124 Ų12495.7 Ų95.749%0.48646%0.464SS..THydrogen-bonded Turntrans-59.2-6.7174.7-64.5-55.5000114F180 S194 E195 Y199F180-Y197 AromaticContact CE1-CD1 3.59Å; F180-Y197 HydrophobicContact CE1-CD1 3.59Å; F180-Y197 AromaticContact CE1-CE1 3.94Å; F180-Y197 HydrophobicContact CE1-CE1 3.94Å; F180-Y197 AromaticContact CZ-CD1 3.91Å; F180-Y197 HydrophobicContact CZ-CD1 3.91Å; F180-Y197 HydrophobicContact CZ-CE1 4.42Å; S194-Y197 VanDerWaalsContact CA-CE2 3.4Å; S194-Y197 WeakPolarHBondContact O-CD2 3.34Å; E195-Y197 VanDerWaalsContact C-N 3.3Å; E195-Y197 PolarHBondContact O-N 2.91Å; Y197-Y199 PolarHBondContact O-N 2.89Å
198Y52.3Low59.3Low135 Ų13593.7 Ų93.753%0.52944%0.443SS..Hα-helixtrans-56-31.7173.3-68.7-61.6000112.6E195 D196 L200 Y201 D202E195-Y198 WeakPolarHBondContact O-CD2 3.47Å; E195-Y198 WeakPolarHBondContact O-CE2 3.13Å; D196-Y198 PolarHBondContact O-N 3.45Å; Y198-L200 VanDerWaalsContact C-N 3.25Å; Y198-L200 PolarHBondContact O-N 3.49Å; Y198-Y201 CarbonylContact O-C 3.46Å; Y198-Y201 WeakPolarHBondContact O-CA 3.33Å; Y198-Y201 PolarHBondContact O-N 3.48Å; Y198-D202 WeakPolarHBondContact O-CB 3.36Å; Y198-D202 PolarHBondContact O-N 2.91Å
199Y51Low60.7Low83 Ų8390.5 Ų90.533%0.32543%0.426SS..Hα-helixtrans-56.2-32.5-173.476.3-93.6000115.1Y183 D196 Y197Y183-Y199 HydrophobicContact CD2-CE2 4.35Å; Y183-Y199 AromaticContact CD2-CZ 3.88Å; Y183-Y199 WeakPolarHBondContact CD2-OH 3.39Å; Y183-Y199 HydrophobicContact CE2-CE1 4.28Å; Y183-Y199 AromaticContact CE2-CZ 3.97Å; Y183-Y199 VanDerWaalsContact CG-OH 3.32Å; D196-Y199 VanDerWaalsContact O-CD1 3.23Å; D196-Y199 WeakPolarHBondContact O-CD1 3.26Å; D196-Y199 PolarHBondContact O-N 3.14Å; Y197-Y199 PolarHBondContact O-N 2.89Å
200L53.7Low62.3Low52 Ų5290.4 Ų90.427%0.27243%0.43SS..Hα-helixtrans-71-34.1175.9-85.3149.2000112.4A179 F180 Y198A179-L200 HydrophobicContact CB-CD2 3.94Å; F180-L200 HydrophobicContact CD1-CD1 3.75Å; F180-L200 HydrophobicContact CD2-CD1 4.44Å; F180-L200 HydrophobicContact CE1-CD1 3.15Å; F180-L200 HydrophobicContact CE2-CD1 3.97Å; F180-L200 HydrophobicContact CG-CD1 4.35Å; F180-L200 HydrophobicContact CZ-CD1 3.28Å; Y198-L200 VanDerWaalsContact C-N 3.25Å; Y198-L200 PolarHBondContact O-N 3.49Å
201Y54.2Low63.9Low166 Ų16689.1 Ų89.165%0.65143%0.427SS*.Hα-helixtrans-87.7-17.5176.4-68-79000112.6Y198 G203Y198-Y201 CarbonylContact O-C 3.46Å; Y198-Y201 WeakPolarHBondContact O-CA 3.33Å; Y198-Y201 PolarHBondContact O-N 3.48Å; Y201-G203 PolarHBondContact O-N 2.85Å
202D57.2Low65.4Low75 Ų7582.4 Ų82.440%0.40139%0.394SS..  trans-83.112.9176.7-15618.7000112.1Y198 N204 Q207Y198-D202 WeakPolarHBondContact O-CB 3.36Å; Y198-D202 PolarHBondContact O-N 2.91Å; D202-N204 PolarHBondContact O-N 3.26Å; D202-Q207 PolarHBondContact OD1-NE2 3.43Å
203G64.3Low67.1Low28 Ų2879.7 Ų79.729%0.28939%0.389SS..  trans-55.4119.1175.800000109.3Y201 L205 W206 Q207Y201-G203 PolarHBondContact O-N 2.85Å; G203-L205 PolarHBondContact O-N 2.98Å; G203-W206 PolarHBondContact O-N 3.05Å; G203-Q207 PolarHBondContact O-N 2.95Å
204N72.4Confident68.9Low75 Ų7577.6 Ų77.640%0.40139%0.39SS..Hα-helixtrans-50.1-29.6-173-55.725.8000112.8D202 A208D202-N204 PolarHBondContact O-N 3.26Å; N204-A208 WeakPolarHBondContact O-CB 3.36Å; N204-A208 PolarHBondContact O-N 2.84Å
205L81.2Confident70.5Confident62 Ų6279.1 Ų79.133%0.32540%0.4SS..Hα-helixtrans-69-43176.9-177.460.6000113.2G203 A208 I209 S254 A257G203-L205 PolarHBondContact O-N 2.98Å; L205-A208 WeakPolarHBondContact O-CB 3.5Å; L205-A208 PolarHBondContact O-N 2.89Å; L205-I209 HydrophobicContact CD1-CD1 4.01Å; L205-I209 HydrophobicContact CD1-CG1 4.24Å; L205-I209 HydrophobicContact CG-CD1 3.96Å; L205-I209 VanDerWaalsContact O-CG1 3.27Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 3.36Å; L205-S254 WeakPolarHBondContact CD1-O 3.35Å; L205-A257 HydrophobicContact CD1-CB 3.92Å
206W79.6Confident72.4Confident159 Ų15976.8 Ų76.860%0.60239%0.388SS*.Hα-helixtrans-65.5-43178.6-83.2116.2000111.4G203 I209 N210G203-W206 PolarHBondContact O-N 3.05Å; W206-I209 PolarHBondContact O-N 3.25Å; W206-N210 WeakPolarHBondContact O-CB 3.39Å; W206-N210 VanDerWaalsContact O-CG 3.24Å; W206-N210 PolarHBondContact O-N 3.35Å; W206-N210 PolarHBondContact O-ND2 3.43Å
207Q81Confident74.3Confident66 Ų6679.1 Ų79.131%0.30840%0.395SS..Hα-helixtrans-62.7-45.9174-64.1-157.2-19.300111.7D202 G203 I209 N210 A211 W261D202-Q207 PolarHBondContact OD1-NE2 3.43Å; G203-Q207 PolarHBondContact O-N 2.95Å; Q207-I209 VanDerWaalsContact C-N 3.33Å; Q207-I209 PolarHBondContact O-N 3.35Å; Q207-N210 PolarHBondContact O-N 2.87Å; Q207-N210 VanDerWaalsContact O-N 3.14Å; Q207-A211 WeakPolarHBondContact O-CB 3.28Å; Q207-A211 PolarHBondContact O-N 2.89Å; Q207-W261 HydrophobicContact CB-CH2 4.02Å; Q207-W261 HydrophobicContact CB-CZ2 3.88Å; Q207-W261 HydrophobicContact CB-CZ3 4.45Å
208A83.4Confident76.1Confident3 Ų377.8 Ų77.83%0.02540%0.395CS..Hα-helixtrans-55.8-45.2176.700000113.2N204 L205 A257 W261N204-A208 WeakPolarHBondContact O-CB 3.36Å; N204-A208 PolarHBondContact O-N 2.84Å; L205-A208 WeakPolarHBondContact O-CB 3.5Å; L205-A208 PolarHBondContact O-N 2.89Å; A208-A257 HydrophobicContact CB-CB 4.29Å; A208-A257 WeakPolarHBondContact CB-O 3.3Å; A208-W261 HydrophobicContact CB-CB 3.41Å; A208-W261 VanDerWaalsContact CB-CB 3.41Å; A208-W261 HydrophobicContact CB-CD2 4.32Å; A208-W261 HydrophobicContact CB-CG 3.85Å
209I86.1Confident77.9Confident28 Ų2873 Ų7314%0.14438%0.379CS..Hα-helixtrans-65.5-45.7176.8-68.3167.4000110L205 W206 Q207 A211 S212 G213 Y216 A257L205-I209 HydrophobicContact CD1-CD1 4.01Å; L205-I209 HydrophobicContact CD1-CG1 4.24Å; L205-I209 HydrophobicContact CG-CD1 3.96Å; L205-I209 VanDerWaalsContact O-CG1 3.27Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 3.36Å; W206-I209 PolarHBondContact O-N 3.25Å; Q207-I209 VanDerWaalsContact C-N 3.33Å; Q207-I209 PolarHBondContact O-N 3.35Å; I209-A211 VanDerWaalsContact C-N 3.31Å; I209-A211 PolarHBondContact O-N 3.25Å; I209-S212 CarbonylContact O-C 3.54Å; I209-S212 PolarHBondContact O-N 3.48Å; I209-G213 WeakPolarHBondContact O-CA 3.11Å; I209-G213 PolarHBondContact O-N 3.41Å; I209-Y216 HydrophobicContact CD1-CE1 4.2Å; I209-Y216 HydrophobicContact CD1-CE2 4.44Å; I209-Y216 HydrophobicContact CG1-CD1 4.34Å; I209-Y216 HydrophobicContact CG1-CD2 4.23Å; I209-Y216 HydrophobicContact CG1-CE1 4.22Å; I209-Y216 HydrophobicContact CG1-CE2 4.12Å; I209-Y216 HydrophobicContact CG1-CG 4.34Å; I209-Y216 HydrophobicContact CG2-CD1 3.78Å; I209-Y216 HydrophobicContact CG2-CE1 4.12Å; I209-Y216 HydrophobicContact CG2-CG 4.2Å; I209-A257 HydrophobicContact CG1-CB 3.88Å
210N83.6Confident79.8Confident122 Ų12269.9 Ų69.965%0.65237%0.369SS*.Hα-helixtrans-65.5-32.6-178.3-74-18.8000113.3W206 Q207 S212W206-N210 WeakPolarHBondContact O-CB 3.39Å; W206-N210 VanDerWaalsContact O-CG 3.24Å; W206-N210 PolarHBondContact O-N 3.35Å; W206-N210 PolarHBondContact O-ND2 3.43Å; Q207-N210 PolarHBondContact O-N 2.87Å; Q207-N210 VanDerWaalsContact O-N 3.14Å; N210-S212 VanDerWaalsContact C-N 3.28Å; N210-S212 PolarHBondContact O-N 2.88Å
211A85.1Confident81.5Confident50 Ų5071.2 Ų71.241%0.41338%0.376SS..Hα-helixtrans-60.1-38.9178.200000113.1Q207 I209 W261 L264Q207-A211 WeakPolarHBondContact O-CB 3.28Å; Q207-A211 PolarHBondContact O-N 2.89Å; I209-A211 VanDerWaalsContact C-N 3.31Å; I209-A211 PolarHBondContact O-N 3.25Å; A211-W261 HydrophobicContact CB-CE3 3.37Å; A211-W261 HydrophobicContact CB-CZ3 3.28Å; A211-L264 HydrophobicContact CB-CD1 3.72Å
212S83.3Confident83.3Confident34 Ų3467.4 Ų67.424%0.23837%0.37CS..THydrogen-bonded Turntrans-129.742.1-174-65.60000110.7I209 N210 L214 S215 Y216I209-S212 CarbonylContact O-C 3.54Å; I209-S212 PolarHBondContact O-N 3.48Å; N210-S212 VanDerWaalsContact C-N 3.28Å; N210-S212 PolarHBondContact O-N 2.88Å; S212-L214 VanDerWaalsContact C-N 3.26Å; S212-L214 PolarHBondContact O-N 3.02Å; S212-S215 PolarHBondContact O-N 2.88Å; S212-Y216 PolarHBondContact O-N 3.49Å
213G85.6Confident84.8Confident34 Ų3467.4 Ų67.435%0.35137%0.367SS..Hα-helixtrans-55.5-38.9-170.500000113.7I209 F217I209-G213 WeakPolarHBondContact O-CA 3.11Å; I209-G213 PolarHBondContact O-N 3.41Å; G213-F217 VanDerWaalsContact O-CB 3.23Å; G213-F217 WeakPolarHBondContact O-CB 3.31Å; G213-F217 PolarHBondContact O-N 3.24Å
214L88.3Confident85.9Confident124 Ų12469.5 Ų69.565%0.64937%0.374SS*.Hα-helixtrans-66.9-47.1176.4-179.661.6000112.3S212 F217 L218S212-L214 VanDerWaalsContact C-N 3.26Å; S212-L214 PolarHBondContact O-N 3.02Å; L214-F217 PolarHBondContact O-N 2.94Å; L214-L218 HydrophobicContact CD1-CD1 4.3Å; L214-L218 HydrophobicContact CD1-CG 4.29Å; L214-L218 HydrophobicContact CG-CD1 4.24Å; L214-L218 WeakPolarHBondContact O-CG 3.42Å; L214-L218 PolarHBondContact O-N 3.47Å
215S86.7Confident86.6Confident73 Ų7367.3 Ų67.351%0.5137%0.369SS..Hα-helixtrans-63.8-42.8179.7-55.40000111.2S212 L218 L219S212-S215 PolarHBondContact O-N 2.88Å; S215-L218 PolarHBondContact O-N 3.05Å; S215-L219 VanDerWaalsContact O-CB 3.31Å; S215-L219 WeakPolarHBondContact O-CB 3.48Å; S215-L219 PolarHBondContact O-N 2.95Å
216Y88.1Confident86.9Confident49 Ų4968.4 Ų68.419%0.19237%0.374CS..Hα-helixtrans-61.2-46174.6-176.5-98.6000111.2I209 S212 L218 L219 C220 A257I209-Y216 HydrophobicContact CD1-CE1 4.2Å; I209-Y216 HydrophobicContact CD1-CE2 4.44Å; I209-Y216 HydrophobicContact CG1-CD1 4.34Å; I209-Y216 HydrophobicContact CG1-CD2 4.23Å; I209-Y216 HydrophobicContact CG1-CE1 4.22Å; I209-Y216 HydrophobicContact CG1-CE2 4.12Å; I209-Y216 HydrophobicContact CG1-CG 4.34Å; I209-Y216 HydrophobicContact CG2-CD1 3.78Å; I209-Y216 HydrophobicContact CG2-CE1 4.12Å; I209-Y216 HydrophobicContact CG2-CG 4.2Å; S212-Y216 PolarHBondContact O-N 3.49Å; Y216-L218 PolarHBondContact O-N 3.29Å; Y216-L219 PolarHBondContact O-N 2.92Å; Y216-C220 VanDerWaalsContact CE1-SG 3.58Å; Y216-C220 WeakPolarHBondContact O-CB 3.34Å; Y216-C220 PolarHBondContact O-N 3.33Å; Y216-C220 PolarHBondContact O-SG 2.97Å; Y216-A257 HydrophobicContact CD2-CB 3.9Å; Y216-A257 HydrophobicContact CE2-CB 3.92Å
217F89.9Confident87.2Confident120 Ų12063.2 Ų63.253%0.52636%0.36SS..Hα-helixtrans-59.6-46.8176.3172-102000112.9G213 L214 C220 N221G213-F217 VanDerWaalsContact O-CB 3.23Å; G213-F217 WeakPolarHBondContact O-CB 3.31Å; G213-F217 PolarHBondContact O-N 3.24Å; L214-F217 PolarHBondContact O-N 2.94Å; F217-C220 PolarHBondContact O-N 2.94Å; F217-N221 WeakPolarHBondContact CD1-ND2 3.05Å; F217-N221 WeakPolarHBondContact CE1-ND2 3.4Å; F217-N221 VanDerWaalsContact CE2-ND2 3.27Å; F217-N221 WeakPolarHBondContact CE2-ND2 3.27Å; F217-N221 WeakPolarHBondContact CZ-ND2 3.42Å; F217-N221 PolarHBondContact O-N 3.38Å; F217-N221 PolarHBondContact O-ND2 2.94Å
218L90.8Very high87.3Confident95 Ų9567 Ų6750%0.49738%0.376SS..Hα-helixtrans-64.2-44.1177.7-71.3175.6000111.5L214 S215 Y216 C220 N221 V222L214-L218 HydrophobicContact CD1-CD1 4.3Å; L214-L218 HydrophobicContact CD1-CG 4.29Å; L214-L218 HydrophobicContact CG-CD1 4.24Å; L214-L218 WeakPolarHBondContact O-CG 3.42Å; L214-L218 PolarHBondContact O-N 3.47Å; S215-L218 PolarHBondContact O-N 3.05Å; Y216-L218 PolarHBondContact O-N 3.29Å; L218-C220 VanDerWaalsContact C-N 3.34Å; L218-C220 PolarHBondContact O-N 2.91Å; L218-N221 PolarHBondContact O-N 3.17Å; L218-V222 WeakPolarHBondContact O-CG2 3.24Å; L218-V222 PolarHBondContact O-N 3.35Å
219L89.9Confident87.3Confident35 Ų3574.4 Ų74.418%0.18341%0.411CS..Hα-helixtrans-58.3-47.5175.5-178.868000111.3S215 Y216 N221 V222 F223 F256S215-L219 VanDerWaalsContact O-CB 3.31Å; S215-L219 WeakPolarHBondContact O-CB 3.48Å; S215-L219 PolarHBondContact O-N 2.95Å; Y216-L219 PolarHBondContact O-N 2.92Å; L219-N221 VanDerWaalsContact C-N 3.35Å; L219-N221 PolarHBondContact O-N 3.39Å; L219-V222 PolarHBondContact O-N 3.31Å; L219-F223 HydrophobicContact CD1-CD1 4.13Å; L219-F223 HydrophobicContact CD1-CD2 4.35Å; L219-F223 HydrophobicContact CD1-CE1 3.67Å; L219-F223 HydrophobicContact CD1-CE2 3.9Å; L219-F223 HydrophobicContact CD1-CG 4.47Å; L219-F223 HydrophobicContact CD1-CZ 3.55Å; L219-F223 HydrophobicContact CD2-CE2 4.29Å; L219-F223 HydrophobicContact CG-CD2 4.23Å; L219-F223 HydrophobicContact CG-CE2 4.02Å; L219-F223 HydrophobicContact CG-CZ 4.2Å; L219-F223 WeakPolarHBondContact O-CB 3.38Å; L219-F223 PolarHBondContact O-N 3.36Å; L219-F256 HydrophobicContact CD2-CB 4.34Å; L219-F256 HydrophobicContact CD2-CD1 3.22Å; L219-F256 HydrophobicContact CD2-CD2 4.31Å; L219-F256 HydrophobicContact CD2-CE1 3.48Å; L219-F256 VanDerWaalsContact CD2-CE1 3.48Å; L219-F256 HydrophobicContact CD2-CE2 4.5Å; L219-F256 HydrophobicContact CD2-CG 3.69Å; L219-F256 HydrophobicContact CD2-CZ 4.12Å
220C91.9Very high87.1Confident17 Ų1777.3 Ų77.312%0.11543%0.434CS..Hα-helixtrans-57.5-46.9176.6-78.20000111.4Y216 F217 L218 F223 T224 Y249Y216-C220 VanDerWaalsContact CE1-SG 3.58Å; Y216-C220 WeakPolarHBondContact O-CB 3.34Å; Y216-C220 PolarHBondContact O-N 3.33Å; Y216-C220 PolarHBondContact O-SG 2.97Å; F217-C220 PolarHBondContact O-N 2.94Å; L218-C220 VanDerWaalsContact C-N 3.34Å; L218-C220 PolarHBondContact O-N 2.91Å; C220-F223 PolarHBondContact O-N 3.14Å; C220-T224 WeakPolarHBondContact O-CB 3.47Å; C220-T224 PolarHBondContact O-N 2.98Å; C220-T224 PolarHBondContact O-OG1 3.27Å; C220-Y249 WeakPolarHBondContact CA-OH 3.32Å; C220-Y249 VanDerWaalsContact CB-OH 3.26Å; C220-Y249 WeakPolarHBondContact CB-OH 3.3Å; C220-Y249 PolarHBondContact O-OH 3.12Å; C220-Y249 PolarHBondContact SG-OH 3.35Å
221N89.8Confident86.7Confident81 Ų8173 Ų7343%0.43341%0.412SS..Hα-helixtrans-63.3-42.2178.1-77.3-52.7000113F217 L218 L219 T224 G225F217-N221 WeakPolarHBondContact CD1-ND2 3.05Å; F217-N221 WeakPolarHBondContact CE1-ND2 3.4Å; F217-N221 VanDerWaalsContact CE2-ND2 3.27Å; F217-N221 WeakPolarHBondContact CE2-ND2 3.27Å; F217-N221 WeakPolarHBondContact CZ-ND2 3.42Å; F217-N221 PolarHBondContact O-N 3.38Å; F217-N221 PolarHBondContact O-ND2 2.94Å; L218-N221 PolarHBondContact O-N 3.17Å; L219-N221 VanDerWaalsContact C-N 3.35Å; L219-N221 PolarHBondContact O-N 3.39Å; N221-T224 PolarHBondContact O-N 2.92Å; N221-G225 PolarHBondContact O-N 2.67Å
222V90.9Very high85.7Confident86 Ų8675.6 Ų75.652%0.52143%0.427SS..Hα-helixtrans-61.5-49.7176.1170.40000110L218 L219 T224 G225 I226L218-V222 WeakPolarHBondContact O-CG2 3.24Å; L218-V222 PolarHBondContact O-N 3.35Å; L219-V222 PolarHBondContact O-N 3.31Å; V222-T224 PolarHBondContact O-N 2.8Å; V222-G225 CarbonylContact O-C 3.48Å; V222-G225 WeakPolarHBondContact O-CA 3.48Å; V222-G225 PolarHBondContact O-N 3.01Å; V222-G225 VanDerWaalsContact O-N 3.14Å; V222-I226 HydrophobicContact CG1-CD1 3.93Å; V222-I226 HydrophobicContact CG1-CG1 4.5Å; V222-I226 WeakPolarHBondContact O-CG1 3.4Å; V222-I226 PolarHBondContact O-N 2.87Å
223F88.3Confident84.6Confident75 Ų7577.9 Ų77.933%0.32944%0.44SS..Hα-helixtrans-64.6-40.1179.2-78.22.9000112.7L219 C220 G225 I226 V227 Y249 T253L219-F223 HydrophobicContact CD1-CD1 4.13Å; L219-F223 HydrophobicContact CD1-CD2 4.35Å; L219-F223 HydrophobicContact CD1-CE1 3.67Å; L219-F223 HydrophobicContact CD1-CE2 3.9Å; L219-F223 HydrophobicContact CD1-CG 4.47Å; L219-F223 HydrophobicContact CD1-CZ 3.55Å; L219-F223 HydrophobicContact CD2-CE2 4.29Å; L219-F223 HydrophobicContact CG-CD2 4.23Å; L219-F223 HydrophobicContact CG-CE2 4.02Å; L219-F223 HydrophobicContact CG-CZ 4.2Å; L219-F223 WeakPolarHBondContact O-CB 3.38Å; L219-F223 PolarHBondContact O-N 3.36Å; C220-F223 PolarHBondContact O-N 3.14Å; F223-G225 VanDerWaalsContact C-N 3.29Å; F223-G225 PolarHBondContact O-N 3.26Å; F223-I226 HydrophobicContact CD1-CD1 4.22Å; F223-I226 PolarHBondContact O-N 2.98Å; F223-V227 WeakPolarHBondContact O-CG2 3.08Å; F223-V227 PolarHBondContact O-N 2.9Å; F223-Y249 HydrophobicContact CB-CD2 4.04Å; F223-Y249 HydrophobicContact CB-CE2 3.54Å; F223-Y249 HydrophobicContact CD2-CD2 4.37Å; F223-Y249 HydrophobicContact CD2-CE2 4.17Å; F223-Y249 HydrophobicContact CG-CE2 4.4Å; F223-T253 HydrophobicContact CD2-CG2 3.84Å; F223-T253 HydrophobicContact CE2-CG2 4.3Å
224T88Confident83.4Confident72 Ų7281.7 Ų81.744%0.44246%0.456SS..Hα-helixtrans-62.8-38.6172.9-57.70000111C220 N221 V222 K228 Y249C220-T224 WeakPolarHBondContact O-CB 3.47Å; C220-T224 PolarHBondContact O-N 2.98Å; C220-T224 PolarHBondContact O-OG1 3.27Å; N221-T224 PolarHBondContact O-N 2.92Å; V222-T224 PolarHBondContact O-N 2.8Å; T224-K228 WeakPolarHBondContact O-CB 3.19Å; T224-K228 PolarHBondContact O-N 3.46Å; T224-Y249 PolarHBondContact OG1-OH 2.92Å
225G87.4Confident82.2Confident28 Ų2885.2 Ų85.229%0.28947%0.469SS..Hα-helixtrans-59.6-48.4171.900000112.3N221 V222 F223 K228 M229N221-G225 PolarHBondContact O-N 2.67Å; V222-G225 CarbonylContact O-C 3.48Å; V222-G225 WeakPolarHBondContact O-CA 3.48Å; V222-G225 PolarHBondContact O-N 3.01Å; V222-G225 VanDerWaalsContact O-N 3.14Å; F223-G225 VanDerWaalsContact C-N 3.29Å; F223-G225 PolarHBondContact O-N 3.26Å; G225-K228 PolarHBondContact O-N 3.1Å; G225-M229 VanDerWaalsContact O-CG 3.29Å; G225-M229 WeakPolarHBondContact O-CG 3.46Å; G225-M229 PolarHBondContact O-N 2.86Å
226I87.1Confident81.2Confident86 Ų8692.3 Ų92.344%0.44149%0.485SS..Hα-helixtrans-60.4-53.1177.3-68.3168.2000110.5V222 F223 K228 M229 S230V222-I226 HydrophobicContact CG1-CD1 3.93Å; V222-I226 HydrophobicContact CG1-CG1 4.5Å; V222-I226 WeakPolarHBondContact O-CG1 3.4Å; V222-I226 PolarHBondContact O-N 2.87Å; F223-I226 HydrophobicContact CD1-CD1 4.22Å; F223-I226 PolarHBondContact O-N 2.98Å; I226-K228 VanDerWaalsContact C-N 3.26Å; I226-K228 PolarHBondContact O-N 3.37Å; I226-M229 PolarHBondContact O-N 3.45Å; I226-S230 WeakPolarHBondContact O-CB 2.77Å; I226-S230 PolarHBondContact O-N 3.23Å; I226-S230 PolarHBondContact O-OG 2.9Å; I226-S230 VanDerWaalsContact O-OG 3.05Å
227V85.2Confident80.5Confident49 Ų4993 Ų9330%0.29749%0.491SS..Hα-helixtrans-55.6-45.4179.3169.80000110.1F223 M229 S230 T231 V245F223-V227 WeakPolarHBondContact O-CG2 3.08Å; F223-V227 PolarHBondContact O-N 2.9Å; V227-M229 VanDerWaalsContact C-N 3.34Å; V227-M229 PolarHBondContact O-N 3.37Å; V227-S230 PolarHBondContact O-N 3.47Å; V227-T231 HydrophobicContact CG1-CG2 4.34Å; V227-T231 WeakPolarHBondContact O-CB 3.42Å; V227-T231 WeakPolarHBondContact O-CG2 3.31Å; V227-T231 PolarHBondContact O-N 2.91Å; V227-T231 PolarHBondContact O-OG1 3.48Å; V227-V245 HydrophobicContact CG1-CG1 3.67Å; V227-V245 HydrophobicContact CG2-CG1 4.46Å
228K83.1Confident80.3Confident147 Ų14789.6 Ų89.664%0.63948%0.482SS*.Hα-helixtrans-63.5-36.2178.3-174.4-179.2178.8-170.50113.3T224 G225 I226 T231T224-K228 WeakPolarHBondContact O-CB 3.19Å; T224-K228 PolarHBondContact O-N 3.46Å; G225-K228 PolarHBondContact O-N 3.1Å; I226-K228 VanDerWaalsContact C-N 3.26Å; I226-K228 PolarHBondContact O-N 3.37Å; K228-T231 CarbonylContact O-C 3.58Å
229M83.6Confident80.2Confident157 Ų15790 Ų9077%0.77349%0.488SS*.Hα-helixtrans-73.4-38.3175.5-71.2177.3-178.700111.8G225 I226 V227 T231G225-M229 VanDerWaalsContact O-CG 3.29Å; G225-M229 WeakPolarHBondContact O-CG 3.46Å; G225-M229 PolarHBondContact O-N 2.86Å; I226-M229 PolarHBondContact O-N 3.45Å; V227-M229 VanDerWaalsContact C-N 3.34Å; V227-M229 PolarHBondContact O-N 3.37Å; M229-T231 VanDerWaalsContact C-N 3.33Å
230S83Confident80.3Confident89 Ų8995 Ų9562%0.62251%0.51SS*.Hα-helixtrans-69.6-31.2175.7-580000112.2I226 V227 S232I226-S230 WeakPolarHBondContact O-CB 2.77Å; I226-S230 PolarHBondContact O-N 3.23Å; I226-S230 PolarHBondContact O-OG 2.9Å; I226-S230 VanDerWaalsContact O-OG 3.05Å; V227-S230 PolarHBondContact O-N 3.47Å; S230-S232 VanDerWaalsContact C-N 3.35Å; S230-S232 PolarHBondContact O-N 3.29Å
231T75Confident80.1Confident31 Ų3197.2 Ų97.219%0.1952%0.524CS..THydrogen-bonded Turntrans-96.154.1174.462.90000111.1V227 K228 M229 T233 M237V227-T231 HydrophobicContact CG1-CG2 4.34Å; V227-T231 WeakPolarHBondContact O-CB 3.42Å; V227-T231 WeakPolarHBondContact O-CG2 3.31Å; V227-T231 PolarHBondContact O-N 2.91Å; V227-T231 PolarHBondContact O-OG1 3.48Å; K228-T231 CarbonylContact O-C 3.58Å; M229-T231 VanDerWaalsContact C-N 3.33Å; T231-T233 PolarHBondContact O-N 3.41Å; T231-M237 HydrophobicContact CG2-CE 3.63Å
232S64.7Low80Confident105 Ų10595.4 Ų95.473%0.73452%0.518SS*.THydrogen-bonded Turntrans-62.2-4171.256.90000113.9S230S230-S232 VanDerWaalsContact C-N 3.35Å; S230-S232 PolarHBondContact O-N 3.29Å
233T59.5Low80Confident82 Ų8296.5 Ų96.550%0.50352%0.52SS..THydrogen-bonded Turntrans-119.642.4-171.247.90000113.4T231 E235 R236T231-T233 PolarHBondContact O-N 3.41Å; T233-E235 PolarHBondContact O-N 2.91Å; T233-R236 PolarHBondContact O-N 2.93Å
234V59.5Low80.1Confident115 Ų11595.4 Ų95.470%0.69752%0.524SS*.G310 helixtrans-51.1-29.5178.81660000113.8R236V234-R236 PolarHBondContact O-N 3.12Å; V234-R236 VanDerWaalsContact O-N 3.13Å
235E62.7Low80.1Confident197 Ų19794.2 Ų94.292%0.92152%0.517SS*.G310 helixtrans-65.6-14.4177.7-67.4-175.2172.800114.3T233T233-E235 PolarHBondContact O-N 2.91Å
236R66.6Low80.1Confident223 Ų22398 Ų9884%0.84253%0.529SS*.G310 helixtrans-118.9-4.1-173.8-60.3-171.3-161.1-168.55.2115.2T233 V234 S238T233-R236 PolarHBondContact O-N 2.93Å; V234-R236 PolarHBondContact O-N 3.12Å; V234-R236 VanDerWaalsContact O-N 3.13Å; R236-S238 PolarHBondContact O-N 2.91Å
237M74.5Confident80.3Confident63 Ų63100.5 Ų100.531%0.3154%0.537SS..  trans-79.1125.6-177.4-168.8172.9-77.700110.1T231 T241T231-M237 HydrophobicContact CG2-CE 3.63Å; M237-T241 HydrophobicContact CE-CG2 3.95Å; M237-T241 HydrophobicContact CG-CG2 3.77Å; M237-T241 HydrophobicContact SD-CG2 3.77Å
238S85.6Confident80.5Confident49 Ų49101.9 Ų101.934%0.34355%0.549SS..  trans-61.8152.9171.978.10000111.1R236 Q240 T241 S242R236-S238 PolarHBondContact O-N 2.91Å; S238-Q240 PolarHBondContact O-N 3.3Å; S238-Q240 PolarHBondContact OG-OE1 2.93Å; S238-T241 PolarHBondContact O-N 3.38Å; S238-T241 PolarHBondContact OG-N 3.44Å; S238-T241 VanDerWaalsContact OG-N 3.1Å; S238-T241 PolarHBondContact OG-OG1 3.44Å; S238-S242 PolarHBondContact O-N 2.82Å; S238-S242 PolarHBondContact O-OG 2.83Å; S238-S242 VanDerWaalsContact O-OG 3.14Å
239V88.6Confident80.7Confident104 Ų10497.7 Ų97.763%0.6353%0.529SS*.Hα-helixtrans-56.5-38.9175.5176.30000110.5S242 L243V239-S242 WeakPolarHBondContact O-CB 3.19Å; V239-S242 PolarHBondContact O-N 2.98Å; V239-L243 HydrophobicContact CG1-CD1 4.15Å; V239-L243 HydrophobicContact CG1-CG 4.45Å; V239-L243 WeakPolarHBondContact O-CG 3.06Å; V239-L243 PolarHBondContact O-N 3.31Å
240Q90.9Very high81Confident138 Ų13892.2 Ų92.265%0.64551%0.509SS*.Hα-helixtrans-62.6-45.9179.4-62.183.9-10.900111.7S238 S242 L243 A244S238-Q240 PolarHBondContact O-N 3.3Å; S238-Q240 PolarHBondContact OG-OE1 2.93Å; Q240-S242 VanDerWaalsContact C-N 3.32Å; Q240-S242 PolarHBondContact O-N 3.36Å; Q240-L243 PolarHBondContact O-N 3.05Å; Q240-A244 WeakPolarHBondContact O-CB 3.47Å; Q240-A244 PolarHBondContact O-N 2.85Å
241T87.3Confident81.4Confident64 Ų6492.2 Ų92.239%0.39350%0.501SS..Hα-helixtrans-64.2-39.5176.7-48.80000111.1M237 S238 A244 V245M237-T241 HydrophobicContact CE-CG2 3.95Å; M237-T241 HydrophobicContact CG-CG2 3.77Å; M237-T241 HydrophobicContact SD-CG2 3.77Å; S238-T241 PolarHBondContact O-N 3.38Å; S238-T241 PolarHBondContact OG-N 3.44Å; S238-T241 VanDerWaalsContact OG-N 3.1Å; S238-T241 PolarHBondContact OG-OG1 3.44Å; T241-A244 PolarHBondContact O-N 2.7Å; T241-V245 WeakPolarHBondContact O-CG2 3.41Å; T241-V245 PolarHBondContact O-N 2.57Å
242S88Confident82.1Confident44 Ų4493.2 Ų93.231%0.30851%0.513SS..Hα-helixtrans-62.5-45177.7-580000111.6S238 V239 Q240 A244 V245 I246S238-S242 PolarHBondContact O-N 2.82Å; S238-S242 PolarHBondContact O-OG 2.83Å; S238-S242 VanDerWaalsContact O-OG 3.14Å; V239-S242 WeakPolarHBondContact O-CB 3.19Å; V239-S242 PolarHBondContact O-N 2.98Å; Q240-S242 VanDerWaalsContact C-N 3.32Å; Q240-S242 PolarHBondContact O-N 3.36Å; S242-A244 VanDerWaalsContact C-N 3.34Å; S242-A244 PolarHBondContact O-N 2.88Å; S242-V245 PolarHBondContact O-N 2.73Å; S242-I246 VanDerWaalsContact O-CG1 3.31Å; S242-I246 WeakPolarHBondContact O-CG1 3.48Å; S242-I246 PolarHBondContact O-N 3.33Å
243L90.2Very high83.3Confident108 Ų10888.3 Ų88.357%0.56548%0.478SS*.Hα-helixtrans-62.5-40.2175-70.7173.6000111.9V239 Q240 I246 F247V239-L243 HydrophobicContact CG1-CD1 4.15Å; V239-L243 HydrophobicContact CG1-CG 4.45Å; V239-L243 WeakPolarHBondContact O-CG 3.06Å; V239-L243 PolarHBondContact O-N 3.31Å; Q240-L243 PolarHBondContact O-N 3.05Å; L243-I246 PolarHBondContact O-N 2.84Å; L243-F247 VanDerWaalsContact O-CB 3.3Å; L243-F247 WeakPolarHBondContact O-CB 3.23Å; L243-F247 PolarHBondContact O-N 2.94Å
244A90.4Very high84.6Confident52 Ų5286 Ų8643%0.4347%0.466SS..Hα-helixtrans-63.5-43.7176.700000112.1Q240 T241 S242 F247 C248Q240-A244 WeakPolarHBondContact O-CB 3.47Å; Q240-A244 PolarHBondContact O-N 2.85Å; T241-A244 PolarHBondContact O-N 2.7Å; S242-A244 VanDerWaalsContact C-N 3.34Å; S242-A244 PolarHBondContact O-N 2.88Å; A244-F247 PolarHBondContact O-N 3.38Å; A244-C248 WeakPolarHBondContact O-CB 3.41Å; A244-C248 PolarHBondContact O-N 3.39Å; A244-C248 PolarHBondContact O-SG 2.87Å; A244-C248 VanDerWaalsContact O-SG 3.33Å
245V88.1Confident85.9Confident48 Ų4885.5 Ų85.529%0.29146%0.458SS..Hα-helixtrans-61.4-46.7176.2171.80000110.8V227 T241 S242 F247 C248 Y249V227-V245 HydrophobicContact CG1-CG1 3.67Å; V227-V245 HydrophobicContact CG2-CG1 4.46Å; T241-V245 WeakPolarHBondContact O-CG2 3.41Å; T241-V245 PolarHBondContact O-N 2.57Å; S242-V245 PolarHBondContact O-N 2.73Å; V245-F247 PolarHBondContact O-N 3.36Å; V245-C248 PolarHBondContact O-N 3.03Å; V245-Y249 VanDerWaalsContact O-CB 3.23Å; V245-Y249 WeakPolarHBondContact O-CB 3.46Å; V245-Y249 PolarHBondContact O-N 3.33Å
246I88.8Confident87Confident106 Ų10680 Ų8054%0.54443%0.432SS..Hα-helixtrans-61.9-43.9177.9-68167.3000110.8S242 L243 Y249 A250S242-I246 VanDerWaalsContact O-CG1 3.31Å; S242-I246 WeakPolarHBondContact O-CG1 3.48Å; S242-I246 PolarHBondContact O-N 3.33Å; L243-I246 PolarHBondContact O-N 2.84Å; I246-Y249 PolarHBondContact O-N 2.95Å; I246-A250 WeakPolarHBondContact O-CB 3.33Å; I246-A250 PolarHBondContact O-N 2.86Å
247F90.7Very high88Confident139 Ų13969.5 Ų69.561%0.6139%0.393SS*.Hα-helixtrans-63.4-48.9178.8-177.4-94.4000112.1L243 A244 V245 Y249 A250 L251L243-F247 VanDerWaalsContact O-CB 3.3Å; L243-F247 WeakPolarHBondContact O-CB 3.23Å; L243-F247 PolarHBondContact O-N 2.94Å; A244-F247 PolarHBondContact O-N 3.38Å; V245-F247 PolarHBondContact O-N 3.36Å; F247-Y249 VanDerWaalsContact C-N 3.31Å; F247-Y249 PolarHBondContact O-N 3.02Å; F247-A250 PolarHBondContact O-N 3.44Å; F247-L251 HydrophobicContact CE1-CD2 4.45Å; F247-L251 WeakPolarHBondContact O-CB 3.43Å; F247-L251 PolarHBondContact O-N 3.08Å
248C89.6Confident88.4Confident79 Ų7973.2 Ų73.253%0.53440%0.403SS..Hα-helixtrans-60.4-42.1177.2-72.70000111.7A244 V245 L251 A252A244-C248 WeakPolarHBondContact O-CB 3.41Å; A244-C248 PolarHBondContact O-N 3.39Å; A244-C248 PolarHBondContact O-SG 2.87Å; A244-C248 VanDerWaalsContact O-SG 3.33Å; V245-C248 PolarHBondContact O-N 3.03Å; C248-L251 PolarHBondContact O-N 2.94Å; C248-A252 VanDerWaalsContact O-CB 3.3Å; C248-A252 WeakPolarHBondContact O-CB 3.24Å; C248-A252 PolarHBondContact O-N 3.18Å
249Y87.7Confident88.4Confident59 Ų5974.1 Ų74.123%0.23141%0.41CS..Hα-helixtrans-61.8-48.3175.3164.3-99.3000112.3C220 F223 T224 V245 I246 F247 L251 A252 T253C220-Y249 WeakPolarHBondContact CA-OH 3.32Å; C220-Y249 VanDerWaalsContact CB-OH 3.26Å; C220-Y249 WeakPolarHBondContact CB-OH 3.3Å; C220-Y249 PolarHBondContact O-OH 3.12Å; C220-Y249 PolarHBondContact SG-OH 3.35Å; F223-Y249 HydrophobicContact CB-CD2 4.04Å; F223-Y249 HydrophobicContact CB-CE2 3.54Å; F223-Y249 HydrophobicContact CD2-CD2 4.37Å; F223-Y249 HydrophobicContact CD2-CE2 4.17Å; F223-Y249 HydrophobicContact CG-CE2 4.4Å; T224-Y249 PolarHBondContact OG1-OH 2.92Å; V245-Y249 VanDerWaalsContact O-CB 3.23Å; V245-Y249 WeakPolarHBondContact O-CB 3.46Å; V245-Y249 PolarHBondContact O-N 3.33Å; I246-Y249 PolarHBondContact O-N 2.95Å; F247-Y249 VanDerWaalsContact C-N 3.31Å; F247-Y249 PolarHBondContact O-N 3.02Å; Y249-L251 VanDerWaalsContact C-N 3.32Å; Y249-L251 PolarHBondContact O-N 3.32Å; Y249-A252 PolarHBondContact O-N 3.4Å; Y249-T253 HydrophobicContact CD2-CG2 4.06Å; Y249-T253 HydrophobicContact CE2-CG2 3.68Å; Y249-T253 WeakPolarHBondContact O-CG2 2.96Å; Y249-T253 PolarHBondContact O-N 3.37Å; Y249-T253 PolarHBondContact O-OG1 3.31Å
250A89.8Confident87.9Confident42 Ų4273.3 Ų73.335%0.34740%0.399SS..Hα-helixtrans-62.6-40.5178.800000111.4I246 F247 T253 S254I246-A250 WeakPolarHBondContact O-CB 3.33Å; I246-A250 PolarHBondContact O-N 2.86Å; F247-A250 PolarHBondContact O-N 3.44Å; A250-T253 PolarHBondContact O-OG1 2.98Å; A250-T253 VanDerWaalsContact O-OG1 3.1Å; A250-S254 VanDerWaalsContact O-CB 3.24Å; A250-S254 WeakPolarHBondContact O-CB 3.45Å; A250-S254 PolarHBondContact O-N 2.92Å; A250-S254 PolarHBondContact O-OG 3.28Å
251L90.7Very high87.1Confident88 Ų8869.1 Ų69.146%0.46138%0.378SS..Hα-helixtrans-64.9-49176-175.165.9000111.6F247 C248 Y249 T253 S254 L255F247-L251 HydrophobicContact CE1-CD2 4.45Å; F247-L251 WeakPolarHBondContact O-CB 3.43Å; F247-L251 PolarHBondContact O-N 3.08Å; C248-L251 PolarHBondContact O-N 2.94Å; Y249-L251 VanDerWaalsContact C-N 3.32Å; Y249-L251 PolarHBondContact O-N 3.32Å; L251-T253 PolarHBondContact O-N 2.98Å; L251-S254 PolarHBondContact O-N 3.42Å; L251-L255 HydrophobicContact CD1-CD1 4.45Å; L251-L255 HydrophobicContact CG-CD1 4.14Å; L251-L255 WeakPolarHBondContact O-CG 3.45Å; L251-L255 PolarHBondContact O-N 3.46Å
252A89.6Confident86.3Confident52 Ų5268 Ų6843%0.4338%0.379SS..Hα-helixtrans-61.4-45.8-178.800000112.2C248 Y249 L255 F256C248-A252 VanDerWaalsContact O-CB 3.3Å; C248-A252 WeakPolarHBondContact O-CB 3.24Å; C248-A252 PolarHBondContact O-N 3.18Å; Y249-A252 PolarHBondContact O-N 3.4Å; A252-L255 PolarHBondContact O-N 3.46Å; A252-F256 WeakPolarHBondContact O-CB 3.39Å; A252-F256 PolarHBondContact O-N 3.22Å
253T89.4Confident85.2Confident2 Ų272 Ų721%0.01239%0.392CS..Hα-helixtrans-66.1-37.417752.40000111.9F223 Y249 A250 L251 F256 A257F223-T253 HydrophobicContact CD2-CG2 3.84Å; F223-T253 HydrophobicContact CE2-CG2 4.3Å; Y249-T253 HydrophobicContact CD2-CG2 4.06Å; Y249-T253 HydrophobicContact CE2-CG2 3.68Å; Y249-T253 WeakPolarHBondContact O-CG2 2.96Å; Y249-T253 PolarHBondContact O-N 3.37Å; Y249-T253 PolarHBondContact O-OG1 3.31Å; A250-T253 PolarHBondContact O-OG1 2.98Å; A250-T253 VanDerWaalsContact O-OG1 3.1Å; L251-T253 PolarHBondContact O-N 2.98Å; T253-F256 PolarHBondContact O-N 3.29Å; T253-A257 PolarHBondContact O-N 3.01Å
254S88.3Confident83.8Confident34 Ų3470.4 Ų70.424%0.23838%0.384CS..Hα-helixtrans-66.2-41176.1-60.50000112.7L205 A250 L251 A257 R258L205-S254 WeakPolarHBondContact CD1-O 3.35Å; A250-S254 VanDerWaalsContact O-CB 3.24Å; A250-S254 WeakPolarHBondContact O-CB 3.45Å; A250-S254 PolarHBondContact O-N 2.92Å; A250-S254 PolarHBondContact O-OG 3.28Å; L251-S254 PolarHBondContact O-N 3.42Å; S254-A257 PolarHBondContact O-N 2.94Å; S254-R258 WeakPolarHBondContact O-CB 3.23Å; S254-R258 PolarHBondContact O-N 2.72Å
255L87.3Confident82.6Confident104 Ų10474 Ų7455%0.54539%0.392SS..Hα-helixtrans-65.4-39.6174.9-70.8172.9000111.7L251 A252 R258 S259L251-L255 HydrophobicContact CD1-CD1 4.45Å; L251-L255 HydrophobicContact CG-CD1 4.14Å; L251-L255 WeakPolarHBondContact O-CG 3.45Å; L251-L255 PolarHBondContact O-N 3.46Å; A252-L255 PolarHBondContact O-N 3.46Å; L255-R258 PolarHBondContact O-N 3.21Å; L255-S259 PolarHBondContact O-N 2.92Å
256F85.9Confident81.4Confident81 Ų8175.9 Ų75.936%0.35541%0.412SS..Hα-helixtrans-63.3-46.9174.5179-90.7000112L219 A252 T253 R258 S259 Q260L219-F256 HydrophobicContact CD2-CB 4.34Å; L219-F256 HydrophobicContact CD2-CD1 3.22Å; L219-F256 HydrophobicContact CD2-CD2 4.31Å; L219-F256 HydrophobicContact CD2-CE1 3.48Å; L219-F256 VanDerWaalsContact CD2-CE1 3.48Å; L219-F256 HydrophobicContact CD2-CE2 4.5Å; L219-F256 HydrophobicContact CD2-CG 3.69Å; L219-F256 HydrophobicContact CD2-CZ 4.12Å; A252-F256 WeakPolarHBondContact O-CB 3.39Å; A252-F256 PolarHBondContact O-N 3.22Å; T253-F256 PolarHBondContact O-N 3.29Å; F256-R258 VanDerWaalsContact C-N 3.27Å; F256-R258 PolarHBondContact O-N 3.42Å; F256-S259 PolarHBondContact O-N 3Å; F256-S259 PolarHBondContact O-OG 3.37Å; F256-Q260 HydrophobicContact CD1-CG 4.14Å; F256-Q260 HydrophobicContact CE1-CG 3.61Å; F256-Q260 HydrophobicContact CE2-CG 4.27Å; F256-Q260 HydrophobicContact CZ-CG 3.69Å; F256-Q260 WeakPolarHBondContact O-CG 3.37Å; F256-Q260 PolarHBondContact O-N 3.19Å; F256-Q260 VanDerWaalsContact O-N 3.08Å
257A86.4Confident80Confident4 Ų479.3 Ų79.33%0.03343%0.43CS..Hα-helixtrans-56.2-47.2175.900000110.5L205 A208 I209 Y216 T253 S254 S259 Q260 W261L205-A257 HydrophobicContact CD1-CB 3.92Å; A208-A257 HydrophobicContact CB-CB 4.29Å; A208-A257 WeakPolarHBondContact CB-O 3.3Å; I209-A257 HydrophobicContact CG1-CB 3.88Å; Y216-A257 HydrophobicContact CD2-CB 3.9Å; Y216-A257 HydrophobicContact CE2-CB 3.92Å; T253-A257 PolarHBondContact O-N 3.01Å; S254-A257 PolarHBondContact O-N 2.94Å; A257-S259 PolarHBondContact O-N 3.16Å; A257-Q260 PolarHBondContact O-N 3.18Å; A257-W261 PolarHBondContact O-N 3.2Å; A257-W261 VanDerWaalsContact O-N 3.12Å
258R83.1Confident79.5Confident140 Ų14076.3 Ų76.353%0.52842%0.421SS..Hα-helixtrans-60.9-39.6177.8-173.3178.8177.4973.6113.2S254 L255 F256 W261 G262S254-R258 WeakPolarHBondContact O-CB 3.23Å; S254-R258 PolarHBondContact O-N 2.72Å; L255-R258 PolarHBondContact O-N 3.21Å; F256-R258 VanDerWaalsContact C-N 3.27Å; F256-R258 PolarHBondContact O-N 3.42Å; R258-W261 PolarHBondContact O-N 3.32Å; R258-G262 PolarHBondContact O-N 3.15Å
259S84.6Confident79Confident68 Ų6876.2 Ų76.248%0.47642%0.415SS..Hα-helixtrans-69.2-36.2-18072.10000112.5L255 F256 A257L255-S259 PolarHBondContact O-N 2.92Å; F256-S259 PolarHBondContact O-N 3Å; F256-S259 PolarHBondContact O-OG 3.37Å; A257-S259 PolarHBondContact O-N 3.16Å
260Q79.3Confident78.5Confident87 Ų8777.1 Ų77.141%0.40743%0.425SS..Hα-helixtrans-65.3-40.3174.3-68-62.2-7200111.8F256 A257 H263 L264F256-Q260 HydrophobicContact CD1-CG 4.14Å; F256-Q260 HydrophobicContact CE1-CG 3.61Å; F256-Q260 HydrophobicContact CE2-CG 4.27Å; F256-Q260 HydrophobicContact CZ-CG 3.69Å; F256-Q260 WeakPolarHBondContact O-CG 3.37Å; F256-Q260 PolarHBondContact O-N 3.19Å; F256-Q260 VanDerWaalsContact O-N 3.08Å; A257-Q260 PolarHBondContact O-N 3.18Å; Q260-H263 WeakPolarHBondContact O-CB 3.48Å; Q260-H263 PolarHBondContact O-N 2.6Å; Q260-L264 PolarHBondContact O-N 3.31Å
261W74.3Confident77.8Confident51 Ų5179.2 Ų79.219%0.19343%0.43CS..Hα-helixtrans-64-41178-177.4-98.3000113.2Q207 A208 A211 A257 R258 H263 L264 E265Q207-W261 HydrophobicContact CB-CH2 4.02Å; Q207-W261 HydrophobicContact CB-CZ2 3.88Å; Q207-W261 HydrophobicContact CB-CZ3 4.45Å; A208-W261 HydrophobicContact CB-CB 3.41Å; A208-W261 VanDerWaalsContact CB-CB 3.41Å; A208-W261 HydrophobicContact CB-CD2 4.32Å; A208-W261 HydrophobicContact CB-CG 3.85Å; A211-W261 HydrophobicContact CB-CE3 3.37Å; A211-W261 HydrophobicContact CB-CZ3 3.28Å; A257-W261 PolarHBondContact O-N 3.2Å; A257-W261 VanDerWaalsContact O-N 3.12Å; R258-W261 PolarHBondContact O-N 3.32Å; W261-H263 PolarHBondContact O-N 3.01Å; W261-H263 VanDerWaalsContact O-N 3.16Å; W261-L264 HydrophobicContact CE3-CD1 4.2Å; W261-L264 PolarHBondContact O-N 3.42Å; W261-E265 HydrophobicContact CZ2-CG 4.46Å; W261-E265 VanDerWaalsContact NE1-CD 3.32Å; W261-E265 PolarHBondContact NE1-OE1 2.77Å; W261-E265 PolarHBondContact O-N 3.41Å
262G71Confident77Confident41 Ų4178.6 Ų78.642%0.42343%0.428SS..Hα-helixtrans-59.7-26.417500000113.7R258R258-G262 PolarHBondContact O-N 3.15Å
263H63.3Low76.2Confident127 Ų12780.4 Ų80.459%0.58843%0.427SS*.Hα-helixtrans-79.1-31.3172.6-170-66.4000112.4Q260 W261 A266Q260-H263 WeakPolarHBondContact O-CB 3.48Å; Q260-H263 PolarHBondContact O-N 2.6Å; W261-H263 PolarHBondContact O-N 3.01Å; W261-H263 VanDerWaalsContact O-N 3.16Å; H263-A266 PolarHBondContact O-N 3.42Å
264L62.4Low75.2Confident75 Ų7586 Ų8639%0.39346%0.457SS..Hα-helixtrans-73.6-33.4177.4-71168.8000112.4A211 Q260 W261 A266A211-L264 HydrophobicContact CB-CD1 3.72Å; Q260-L264 PolarHBondContact O-N 3.31Å; W261-L264 HydrophobicContact CE3-CD1 4.2Å; W261-L264 PolarHBondContact O-N 3.42Å; L264-A266 PolarHBondContact O-N 3.41Å
265E64.2Low74.2Confident128 Ų12890 Ų9060%0.59847%0.474SS*.THydrogen-bonded Turntrans-69.3-19.2172.5-72.6-178.3168.700113.3W261W261-E265 HydrophobicContact CZ2-CG 4.46Å; W261-E265 VanDerWaalsContact NE1-CD 3.32Å; W261-E265 PolarHBondContact NE1-OE1 2.77Å; W261-E265 PolarHBondContact O-N 3.41Å
266A63.7Low73.1Confident86 Ų8688.8 Ų88.871%0.71147%0.468SS*.THydrogen-bonded Turntrans-90.7-9.3-176.700000114.4H263 L264H263-A266 PolarHBondContact O-N 3.42Å; L264-A266 PolarHBondContact O-N 3.41Å
267I59.2Low72Confident178 Ų17889.5 Ų89.591%0.91348%0.478SS*.  trans-99.20176.3-61172.2000109

Retrieved 267 of 267 residues in 328.5 ms (Link to these results)