A0A087XRM5_POEFO Loading...

Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein

GTPase-activating protein for the ADP ribosylation factor family.

AlphaFold DB , UniProt , Accession A0A087XRM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 794 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
1L42.3Very low50.5Low158 Ų15893.5 Ų93.583%0.82744%0.442SS*.  0-53.40-99.291.6000114.7L3 V4 L5L1-L3 VanDerWaalsContact C-N 3.34Å; L1-L3 PolarHBondContact O-N 2.72Å; L1-V4 PolarHBondContact O-N 3.45Å; L1-L5 HydrophobicContact CD2-CD1 4.46Å; L1-L5 WeakPolarHBondContact O-CB 3.12Å; L1-L5 WeakPolarHBondContact O-CG 3.25Å; L1-L5 PolarHBondContact O-N 3.24Å
2K46.7Very low50.3Low185 Ų18594.3 Ų94.380%0.80447%0.465SS*.Hα-helixtrans-58.6-37.6-178.4-81.8179.9176.6176.40114.5K6K2-K6 WeakPolarHBondContact O-CB 3.41Å; K2-K6 WeakPolarHBondContact O-CG 3.4Å; K2-K6 PolarHBondContact O-N 3.39Å; K2-K6 VanDerWaalsContact O-N 3.11Å
3L51.5Low50.1Low41 Ų4193 Ų9322%0.21546%0.461CS..Hα-helixtrans-72.7-40.3175.7-92139.2000112.9L1 K6 M7 F20 V177L1-L3 VanDerWaalsContact C-N 3.34Å; L1-L3 PolarHBondContact O-N 2.72Å; L3-K6 PolarHBondContact O-N 3.48Å; L3-M7 WeakPolarHBondContact O-CB 3.44Å; L3-M7 PolarHBondContact O-N 3.47Å; L3-F20 HydrophobicContact CD2-CE2 4.07Å; L3-V177 HydrophobicContact CB-CG1 4.02Å
4V48.8Very low50.3Low55 Ų5594.4 Ų94.433%0.33348%0.484SS..Hα-helixtrans-64.4-44.8176.6179.60000111L1 K6 M7 E8 V177L1-V4 PolarHBondContact O-N 3.45Å; V4-K6 VanDerWaalsContact C-N 3.33Å; V4-K6 PolarHBondContact O-N 3.09Å; V4-M7 WeakPolarHBondContact O-CB 3.45Å; V4-M7 PolarHBondContact O-N 3Å; V4-M7 VanDerWaalsContact O-N 3.1Å; V4-E8 PolarHBondContact O-N 3.03Å; V4-E8 VanDerWaalsContact O-N 3.15Å; V4-V177 HydrophobicContact CG2-CG1 3.77Å
5L49.3Very low50.4Low91 Ų91101.5 Ų101.548%0.47650%0.503SS..Hα-helixtrans-67.5-30175.3-70.7166.6000113L1 R9L1-L5 HydrophobicContact CD2-CD1 4.46Å; L1-L5 WeakPolarHBondContact O-CB 3.12Å; L1-L5 WeakPolarHBondContact O-CG 3.25Å; L1-L5 PolarHBondContact O-N 3.24Å; L5-R9 WeakPolarHBondContact O-CG 3.43Å
6K55.2Low50.5Low98 Ų9898.8 Ų98.843%0.42649%0.49SS..Hα-helixtrans-72.5-30.5170.2-88.7-178.5173.5-178.40112K2 L3 V4 S10 F20K2-K6 WeakPolarHBondContact O-CB 3.41Å; K2-K6 WeakPolarHBondContact O-CG 3.4Å; K2-K6 PolarHBondContact O-N 3.39Å; K2-K6 VanDerWaalsContact O-N 3.11Å; L3-K6 PolarHBondContact O-N 3.48Å; V4-K6 VanDerWaalsContact C-N 3.33Å; V4-K6 PolarHBondContact O-N 3.09Å; K6-S10 VanDerWaalsContact O-CB 3.22Å; K6-S10 WeakPolarHBondContact O-CB 3.46Å; K6-S10 PolarHBondContact O-N 2.99Å; K6-S10 PolarHBondContact O-OG 3.41Å; K6-F20 HydrophobicContact CB-CD2 4.32Å
7M55.4Low51.1Low8 Ų895.5 Ų95.54%0.03948%0.478CS..Hα-helixtrans-70.7-44.6179.1-163.9-176.3140.800111.9L3 V4 R9 S10 L11 F20 A173 L174 V177L3-M7 WeakPolarHBondContact O-CB 3.44Å; L3-M7 PolarHBondContact O-N 3.47Å; V4-M7 WeakPolarHBondContact O-CB 3.45Å; V4-M7 PolarHBondContact O-N 3Å; V4-M7 VanDerWaalsContact O-N 3.1Å; M7-R9 VanDerWaalsContact C-N 3.28Å; M7-R9 PolarHBondContact O-N 3.25Å; M7-S10 VanDerWaalsContact CA-OG 3.26Å; M7-S10 WeakPolarHBondContact CA-OG 3.3Å; M7-S10 PolarHBondContact O-N 3.2Å; M7-S10 PolarHBondContact O-OG 3.31Å; M7-S10 VanDerWaalsContact O-OG 3.04Å; M7-L11 HydrophobicContact CE-CD1 4.34Å; M7-L11 WeakPolarHBondContact O-CG 3.33Å; M7-L11 PolarHBondContact O-N 3.44Å; M7-F20 HydrophobicContact CB-CE2 3.93Å; M7-F20 HydrophobicContact CB-CZ 3.96Å; M7-F20 HydrophobicContact CG-CE1 4.26Å; M7-F20 HydrophobicContact CG-CE2 4.22Å; M7-F20 HydrophobicContact CG-CZ 3.74Å; M7-F20 HydrophobicContact SD-CZ 4.25Å; M7-A173 HydrophobicContact CE-CB 3.22Å; M7-A173 HydrophobicContact SD-CB 4.11Å; M7-L174 HydrophobicContact CE-CD2 3.9Å; M7-L174 HydrophobicContact CE-CG 3.88Å; M7-L174 HydrophobicContact SD-CD2 4.07Å; M7-V177 HydrophobicContact SD-CB 4.32Å; M7-V177 HydrophobicContact SD-CG2 3.68Å
8E51Low51.7Low137 Ų13798.7 Ų98.764%0.6449%0.489SS*.Hα-helixtrans-60.1-37173.5-82.4-172.9141.100112.8V4 S12V4-E8 PolarHBondContact O-N 3.03Å; V4-E8 VanDerWaalsContact O-N 3.15Å; E8-S12 PolarHBondContact O-OG 3.22Å
9R50.3Low52.3Low173 Ų17398.7 Ų98.765%0.65349%0.49SS*.Hα-helixtrans-79.7-21.1178-70.3-178.4-179.5-174.8-0.1114.3L5 M7 S12 L16L5-R9 WeakPolarHBondContact O-CG 3.43Å; M7-R9 VanDerWaalsContact C-N 3.28Å; M7-R9 PolarHBondContact O-N 3.25Å; R9-S12 PolarHBondContact O-OG 3.27Å; R9-L16 HydrophobicContact CB-CD1 4.48Å
10S52.4Low53.1Low9 Ų994.8 Ų94.86%0.06347%0.47CS..Hα-helixtrans-91.7-17.1-178.851.10000113.7K6 M7 S12K6-S10 VanDerWaalsContact O-CB 3.22Å; K6-S10 WeakPolarHBondContact O-CB 3.46Å; K6-S10 PolarHBondContact O-N 2.99Å; K6-S10 PolarHBondContact O-OG 3.41Å; M7-S10 VanDerWaalsContact CA-OG 3.26Å; M7-S10 WeakPolarHBondContact CA-OG 3.3Å; M7-S10 PolarHBondContact O-N 3.2Å; M7-S10 PolarHBondContact O-OG 3.31Å; M7-S10 VanDerWaalsContact O-OG 3.04Å; S10-S12 PolarHBondContact O-N 2.98Å
11L53.2Low54Low74 Ų7494.7 Ų94.739%0.38747%0.465SS..SBendtrans-70.5-9169.9-75.3165.3000113.3M7 F169 R170M7-L11 HydrophobicContact CE-CD1 4.34Å; M7-L11 WeakPolarHBondContact O-CG 3.33Å; M7-L11 PolarHBondContact O-N 3.44Å; L11-F169 HydrophobicContact CD2-CE1 4.36Å; L11-R170 HydrophobicContact CD1-CG 4.29Å; L11-R170 HydrophobicContact CD2-CG 4.21Å
12S48.1Very low55.5Low103 Ų10389.5 Ų89.572%0.7244%0.444SS*.SBendtrans-121.7-13.8-174.133.70000114.7E8 R9 S10E8-S12 PolarHBondContact O-OG 3.22Å; R9-S12 PolarHBondContact O-OG 3.27Å; S10-S12 PolarHBondContact O-N 2.98Å
13D46.7Very low56.8Low77 Ų7783.2 Ų83.241%0.41242%0.42SS..  trans-135.4120.6-179.7-177.9-22.7000111.3R15 L16 C17D13-R15 PolarHBondContact O-N 3.38Å; D13-R15 PolarHBondContact OD1-N 2.97Å; D13-L16 HydrophobicContact CB-CB 4.2Å; D13-L16 HydrophobicContact CB-CD1 3.83Å; D13-L16 PolarHBondContact O-N 2.92Å; D13-C17 PolarHBondContact O-N 3.35Å; D13-C17 VanDerWaalsContact O-N 3.09Å
14S53.6Low58.1Low112 Ų11281.7 Ų81.778%0.78341%0.412SS*.Hα-helixtrans-55-33.9-176.9-34.60000113.5F18S14-F18 PolarHBondContact O-N 3.02Å
15R50.9Low59.7Low202 Ų20283.1 Ų83.176%0.76242%0.418SS*.Hα-helixtrans-78.6-35.9-177.4-163.4176.1-175.8-171.71.3111.7D13 C17 F18 L19D13-R15 PolarHBondContact O-N 3.38Å; D13-R15 PolarHBondContact OD1-N 2.97Å; R15-C17 VanDerWaalsContact C-N 3.33Å; R15-F18 PolarHBondContact O-N 3.13Å; R15-L19 PolarHBondContact O-N 3.46Å
16L52.7Low61.3Low58 Ų5884.3 Ų84.330%0.30442%0.42SS..Hα-helixtrans-70.2-30.4174.2-86.3148.2000112R9 D13 F20R9-L16 HydrophobicContact CB-CD1 4.48Å; D13-L16 HydrophobicContact CB-CB 4.2Å; D13-L16 HydrophobicContact CB-CD1 3.83Å; D13-L16 PolarHBondContact O-N 2.92Å; L16-F20 VanDerWaalsContact O-CB 3.28Å; L16-F20 WeakPolarHBondContact O-CB 3.49Å; L16-F20 PolarHBondContact O-N 3.11Å
17C61.5Low62.7Low42 Ų4280.7 Ų80.728%0.28441%0.406SS..Hα-helixtrans-63.2-43.1172.8-168.60000112.8D13 R15 F20 R21D13-C17 PolarHBondContact O-N 3.35Å; D13-C17 VanDerWaalsContact O-N 3.09Å; R15-C17 VanDerWaalsContact C-N 3.33Å; C17-F20 PolarHBondContact O-N 2.87Å; C17-R21 WeakPolarHBondContact O-CG 3.39Å; C17-R21 PolarHBondContact O-N 3.4Å
18F62Low64.2Low153 Ų15381.5 Ų81.567%0.67141%0.41SS*.Hα-helixtrans-63.2-46.7177.5-175.2-95.7000112.3S14 R15 F20 R21 A22S14-F18 PolarHBondContact O-N 3.02Å; R15-F18 PolarHBondContact O-N 3.13Å; F18-F20 VanDerWaalsContact C-N 3.31Å; F18-F20 PolarHBondContact O-N 3.3Å; F18-R21 PolarHBondContact O-N 3.42Å; F18-A22 PolarHBondContact O-N 3.49Å; F18-A22 VanDerWaalsContact O-N 3.13Å
19L62.8Low66.1Low99 Ų9978.8 Ų78.852%0.51840%0.403SS..Hα-helixtrans-65.5-33176.9-73.7166.2000112.6R15 N23R15-L19 PolarHBondContact O-N 3.46Å; L19-N23 PolarHBondContact O-N 3.02Å; L19-N23 PolarHBondContact O-ND2 2.97Å
20F68.4Low67.9Low20 Ų2074.3 Ų74.39%0.08839%0.39CS..Hα-helixtrans-66.7-42.8175.1178.8-103.9000111.7L3 K6 M7 L16 C17 F18 N23 I24 V177L3-F20 HydrophobicContact CD2-CE2 4.07Å; K6-F20 HydrophobicContact CB-CD2 4.32Å; M7-F20 HydrophobicContact CB-CE2 3.93Å; M7-F20 HydrophobicContact CB-CZ 3.96Å; M7-F20 HydrophobicContact CG-CE1 4.26Å; M7-F20 HydrophobicContact CG-CE2 4.22Å; M7-F20 HydrophobicContact CG-CZ 3.74Å; M7-F20 HydrophobicContact SD-CZ 4.25Å; L16-F20 VanDerWaalsContact O-CB 3.28Å; L16-F20 WeakPolarHBondContact O-CB 3.49Å; L16-F20 PolarHBondContact O-N 3.11Å; C17-F20 PolarHBondContact O-N 2.87Å; F18-F20 VanDerWaalsContact C-N 3.31Å; F18-F20 PolarHBondContact O-N 3.3Å; F20-N23 PolarHBondContact O-N 3.19Å; F20-I24 HydrophobicContact CD1-CD1 3.94Å; F20-I24 HydrophobicContact CE1-CD1 3.35Å; F20-I24 HydrophobicContact CE1-CG1 4.43Å; F20-I24 HydrophobicContact CE2-CD1 4.26Å; F20-I24 HydrophobicContact CZ-CD1 3.54Å; F20-I24 HydrophobicContact CZ-CG1 4.43Å; F20-I24 PolarHBondContact O-N 2.94Å; F20-V177 HydrophobicContact CE2-CG2 4.35Å; F20-V177 HydrophobicContact CZ-CG2 3.75Å
21R70.5Confident69.7Low94 Ų9474 Ų7436%0.35539%0.387SS..Hα-helixtrans-59.9-47.7175-74.3176.8173-170.2-6.8112.2C17 F18 N23 I24 D25 E138C17-R21 WeakPolarHBondContact O-CG 3.39Å; C17-R21 PolarHBondContact O-N 3.4Å; F18-R21 PolarHBondContact O-N 3.42Å; R21-N23 VanDerWaalsContact C-N 3.3Å; R21-N23 PolarHBondContact O-N 3.34Å; R21-I24 PolarHBondContact O-N 3.48Å; R21-D25 PolarHBondContact O-N 3.27Å; R21-E138 IonicContact NH2-OE1 3.27Å
22A74.3Confident71.5Confident48 Ų4874.6 Ų74.640%0.39739%0.394SS..Hα-helixtrans-58.5-38.8178.300000113.4F18 I24 E26F18-A22 PolarHBondContact O-N 3.49Å; F18-A22 VanDerWaalsContact O-N 3.13Å; A22-I24 VanDerWaalsContact C-N 3.35Å; A22-E26 PolarHBondContact O-N 3.04Å; A22-E26 VanDerWaalsContact O-N 3.15Å
23N74.4Confident73.6Confident53 Ų5374.3 Ų74.328%0.28338%0.381SS..Hα-helixtrans-69.6-31.3176.2-70.3-63.2000112.6L19 F20 R21 V27L19-N23 PolarHBondContact O-N 3.02Å; L19-N23 PolarHBondContact O-ND2 2.97Å; F20-N23 PolarHBondContact O-N 3.19Å; R21-N23 VanDerWaalsContact C-N 3.3Å; R21-N23 PolarHBondContact O-N 3.34Å; N23-V27 WeakPolarHBondContact O-CG2 3.39Å; N23-V27 PolarHBondContact O-N 2.85Å
24I78.4Confident75.7Confident10 Ų1072.2 Ų72.25%0.05137%0.37CS..Hα-helixtrans-70.5-45.8176-74.4179.7000109.8F20 R21 A22 E26 V27 E28 Y176 I180F20-I24 HydrophobicContact CD1-CD1 3.94Å; F20-I24 HydrophobicContact CE1-CD1 3.35Å; F20-I24 HydrophobicContact CE1-CG1 4.43Å; F20-I24 HydrophobicContact CE2-CD1 4.26Å; F20-I24 HydrophobicContact CZ-CD1 3.54Å; F20-I24 HydrophobicContact CZ-CG1 4.43Å; F20-I24 PolarHBondContact O-N 2.94Å; R21-I24 PolarHBondContact O-N 3.48Å; A22-I24 VanDerWaalsContact C-N 3.35Å; I24-E26 VanDerWaalsContact C-N 3.26Å; I24-E26 PolarHBondContact O-N 3.32Å; I24-V27 PolarHBondContact O-N 3.35Å; I24-V27 VanDerWaalsContact O-N 3.13Å; I24-E28 HydrophobicContact CG2-CG 4.18Å; I24-E28 VanDerWaalsContact CG2-OE1 3.24Å; I24-E28 WeakPolarHBondContact CG2-OE1 3.49Å; I24-E28 VanDerWaalsContact O-CG 3.32Å; I24-E28 WeakPolarHBondContact O-CG 3.29Å; I24-E28 PolarHBondContact O-N 3.16Å; I24-Y176 HydrophobicContact CD1-CE1 4.43Å; I24-Y176 HydrophobicContact CG2-CE1 3.8Å; I24-I180 HydrophobicContact CG1-CD1 4.42Å
25D82.2Confident77.6Confident85 Ų8568.5 Ų68.546%0.45534%0.34SS..Hα-helixtrans-59.6-38.5179-64.4-20.6000111.6R21 E28 T29R21-D25 PolarHBondContact O-N 3.27Å; D25-E28 PolarHBondContact O-N 2.93Å; D25-T29 WeakPolarHBondContact O-CB 3.33Å; D25-T29 PolarHBondContact O-N 3.32Å; D25-T29 PolarHBondContact O-OG1 2.94Å
26E84.3Confident79.7Confident115 Ų11561.8 Ų61.854%0.53733%0.328SS..Hα-helixtrans-61.8-49.8173.7-174.6177.4-165.300111.5A22 I24 E28 T29 E30A22-E26 PolarHBondContact O-N 3.04Å; A22-E26 VanDerWaalsContact O-N 3.15Å; I24-E26 VanDerWaalsContact C-N 3.26Å; I24-E26 PolarHBondContact O-N 3.32Å; E26-E28 VanDerWaalsContact C-N 3.33Å; E26-E28 PolarHBondContact O-N 2.88Å; E26-T29 PolarHBondContact O-N 3.05Å; E26-E30 PolarHBondContact O-N 3.27Å
27V84.7Confident81.7Confident22 Ų2265.3 Ų65.313%0.13334%0.34CS..Hα-helixtrans-63.4-39.4178.5170.20000111.9N23 I24 T29 E30 V31 I180N23-V27 WeakPolarHBondContact O-CG2 3.39Å; N23-V27 PolarHBondContact O-N 2.85Å; I24-V27 PolarHBondContact O-N 3.35Å; I24-V27 VanDerWaalsContact O-N 3.13Å; V27-T29 VanDerWaalsContact C-N 3.33Å; V27-E30 PolarHBondContact O-N 3.36Å; V27-V31 HydrophobicContact CG1-CG2 4.42Å; V27-V31 VanDerWaalsContact O-CG2 3.26Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 2.98Å; V27-I180 HydrophobicContact CG1-CG2 3.82Å
28E86.2Confident83.3Confident25 Ų2563.7 Ų63.712%0.11733%0.329CS..Hα-helixtrans-61.5-43.2175.9-74.8178.5-174.700111.8I24 D25 E26 V31 V32 F123 K127 Y176I24-E28 HydrophobicContact CG2-CG 4.18Å; I24-E28 VanDerWaalsContact CG2-OE1 3.24Å; I24-E28 WeakPolarHBondContact CG2-OE1 3.49Å; I24-E28 VanDerWaalsContact O-CG 3.32Å; I24-E28 WeakPolarHBondContact O-CG 3.29Å; I24-E28 PolarHBondContact O-N 3.16Å; D25-E28 PolarHBondContact O-N 2.93Å; E26-E28 VanDerWaalsContact C-N 3.33Å; E26-E28 PolarHBondContact O-N 2.88Å; E28-V31 PolarHBondContact O-N 2.68Å; E28-V32 WeakPolarHBondContact O-CG2 3.45Å; E28-V32 PolarHBondContact O-N 2.93Å; E28-V32 VanDerWaalsContact O-N 3.09Å; E28-F123 HydrophobicContact CG-CZ 4.1Å; E28-K127 VanDerWaalsContact CD-NZ 3.3Å; E28-K127 HydrophobicContact CG-CD 4.41Å; E28-K127 WeakPolarHBondContact OE1-CE 3.48Å; E28-K127 IonicContact OE1-NZ 3.75Å; E28-K127 WeakPolarHBondContact OE2-CE 3.31Å; E28-K127 IonicContact OE2-NZ 3.02Å; E28-K127 PolarHBondContact OE2-NZ 3.26Å; E28-Y176 VanDerWaalsContact CD-OH 3.28Å; E28-Y176 VanDerWaalsContact CG-OH 3.26Å; E28-Y176 WeakPolarHBondContact CG-OH 3.37Å; E28-Y176 PolarHBondContact OE1-OH 3.06Å
29T90Very high84.8Confident80 Ų8059 Ų5949%0.49131%0.311SS..Hα-helixtrans-63.1-45177.1-54.50000110.7D25 E26 V27 V31 V32 E33D25-T29 WeakPolarHBondContact O-CB 3.33Å; D25-T29 PolarHBondContact O-N 3.32Å; D25-T29 PolarHBondContact O-OG1 2.94Å; E26-T29 PolarHBondContact O-N 3.05Å; V27-T29 VanDerWaalsContact C-N 3.33Å; T29-V31 VanDerWaalsContact C-N 3.3Å; T29-V31 PolarHBondContact O-N 3.38Å; T29-V32 PolarHBondContact O-N 3.46Å; T29-E33 PolarHBondContact O-N 3.47Å
30E88.7Confident86.4Confident79 Ų7961 Ų6137%0.36932%0.315SS..Hα-helixtrans-58.1-39.8174.3-73.1-172.8-179.800112.9E26 V27 E33 I34 Q184 K187E26-E30 PolarHBondContact O-N 3.27Å; V27-E30 PolarHBondContact O-N 3.36Å; E30-E33 PolarHBondContact O-N 2.97Å; E30-I34 WeakPolarHBondContact O-CB 3.42Å; E30-I34 PolarHBondContact O-N 3.22Å; E30-Q184 PolarHBondContact OE2-NE2 3.01Å; E30-K187 IonicContact OE2-NZ 3.87Å; E30-K187 PolarHBondContact OE2-NZ 3.24Å
31V89.8Confident87.7Confident3 Ų363.1 Ų63.12%0.01833%0.327CS..Hα-helixtrans-68.7-40.5-178.9171.50000111.3V27 E28 T29 I34 E35 V120 F123 L183V27-V31 HydrophobicContact CG1-CG2 4.42Å; V27-V31 VanDerWaalsContact O-CG2 3.26Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 2.98Å; E28-V31 PolarHBondContact O-N 2.68Å; T29-V31 VanDerWaalsContact C-N 3.3Å; T29-V31 PolarHBondContact O-N 3.38Å; V31-I34 WeakPolarHBondContact O-CG2 3.22Å; V31-I34 PolarHBondContact O-N 2.97Å; V31-E35 WeakPolarHBondContact O-CB 3.38Å; V31-E35 PolarHBondContact O-N 3.49Å; V31-V120 HydrophobicContact CG1-CG1 4.04Å; V31-F123 HydrophobicContact CB-CE1 4.07Å; V31-F123 HydrophobicContact CG1-CD1 3.74Å; V31-F123 HydrophobicContact CG1-CE1 3.69Å; V31-F123 HydrophobicContact CG2-CE1 4.3Å; V31-L183 HydrophobicContact CB-CD2 4.42Å; V31-L183 HydrophobicContact CG1-CD2 3.84Å; V31-L183 HydrophobicContact CG2-CD2 3.58Å
32V91.2Very high88.9Confident86 Ų8659.2 Ų59.252%0.52131%0.314SS..Hα-helixtrans-65.1-42.2175.51740000110.8E28 T29 A36E28-V32 WeakPolarHBondContact O-CG2 3.45Å; E28-V32 PolarHBondContact O-N 2.93Å; E28-V32 VanDerWaalsContact O-N 3.09Å; T29-V32 PolarHBondContact O-N 3.46Å; V32-A36 PolarHBondContact O-N 2.95Å
33E92.9Very high90Very high98 Ų9864.4 Ų64.446%0.45833%0.327SS..Hα-helixtrans-63.9-43176.4-77.2-166.9-161.700112.8T29 E30 A36 K37T29-E33 PolarHBondContact O-N 3.47Å; E30-E33 PolarHBondContact O-N 2.97Å; E33-A36 PolarHBondContact O-N 3.3Å; E33-K37 WeakPolarHBondContact O-CB 3.43Å; E33-K37 VanDerWaalsContact O-CG 3.27Å; E33-K37 WeakPolarHBondContact O-CG 3.49Å; E33-K37 PolarHBondContact O-N 3.31Å; E33-K37 IonicContact OE2-NZ 2.85Å; E33-K37 PolarHBondContact OE2-NZ 3.2Å
34I90.7Very high91.1Very high33 Ų3367.2 Ų67.217%0.16934%0.342CS..Hα-helixtrans-70.4-37.8-177.4-151.7171.4000111.4E30 V31 K37 L38 K187 I191E30-I34 WeakPolarHBondContact O-CB 3.42Å; E30-I34 PolarHBondContact O-N 3.22Å; V31-I34 WeakPolarHBondContact O-CG2 3.22Å; V31-I34 PolarHBondContact O-N 2.97Å; I34-K37 PolarHBondContact O-N 2.97Å; I34-L38 HydrophobicContact CG1-CD1 4.24Å; I34-L38 HydrophobicContact CG1-CG 4.28Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 VanDerWaalsContact O-CG 3.22Å; I34-L38 WeakPolarHBondContact O-CG 3.28Å; I34-L38 PolarHBondContact O-N 3.28Å; I34-K187 HydrophobicContact CD1-CD 3.47Å; I34-K187 VanDerWaalsContact CD1-CD 3.47Å; I34-K187 HydrophobicContact CD1-CG 3.54Å; I34-I191 HydrophobicContact CD1-CD1 3.7Å; I34-I191 HydrophobicContact CG1-CD1 4.44Å
35E93.3Very high92Very high34 Ų3467.1 Ų67.116%0.15934%0.342CS..Hα-helixtrans-56.2-52.1172.3179.7-174.6-153.100110.8V31 K37 L38 D39 V116 V120 K124V31-E35 WeakPolarHBondContact O-CB 3.38Å; V31-E35 PolarHBondContact O-N 3.49Å; E35-K37 VanDerWaalsContact C-N 3.3Å; E35-K37 PolarHBondContact O-N 3.02Å; E35-L38 PolarHBondContact O-N 3.05Å; E35-D39 WeakPolarHBondContact O-CB 3.22Å; E35-D39 PolarHBondContact O-N 3.35Å; E35-V116 HydrophobicContact CG-CG1 3.99Å; E35-V120 HydrophobicContact CB-CG1 4.27Å; E35-V120 HydrophobicContact CG-CG1 4.25Å; E35-K124 IonicContact OE1-NZ 3.53Å; E35-K124 PolarHBondContact OE1-NZ 2.9Å; E35-K124 WeakPolarHBondContact OE2-CE 3.29Å; E35-K124 IonicContact OE2-NZ 3.55Å; E35-K124 PolarHBondContact OE2-NZ 3.18Å
36A94.9Very high92.6Very high61 Ų6163.9 Ų63.950%0.50433%0.326SS..Hα-helixtrans-60.8-39.3179.700000112.4V32 E33 K40V32-A36 PolarHBondContact O-N 2.95Å; E33-A36 PolarHBondContact O-N 3.3Å; A36-K40 WeakPolarHBondContact O-CB 3.49Å; A36-K40 PolarHBondContact O-N 2.63Å; A36-K40 VanDerWaalsContact O-N 3.13Å
37K95Very high93.3Very high131 Ų13160.1 Ų60.157%0.5732%0.319SS*.Hα-helixtrans-68.6-41.8177.2-72.7167.8-176.5159.60111.7E33 I34 E35 K40 L41E33-K37 WeakPolarHBondContact O-CB 3.43Å; E33-K37 VanDerWaalsContact O-CG 3.27Å; E33-K37 WeakPolarHBondContact O-CG 3.49Å; E33-K37 PolarHBondContact O-N 3.31Å; E33-K37 IonicContact OE2-NZ 2.85Å; E33-K37 PolarHBondContact OE2-NZ 3.2Å; I34-K37 PolarHBondContact O-N 2.97Å; E35-K37 VanDerWaalsContact C-N 3.3Å; E35-K37 PolarHBondContact O-N 3.02Å; K37-K40 PolarHBondContact O-N 3.34Å; K37-L41 PolarHBondContact O-N 3.09Å
38L94.6Very high93.8Very high8 Ų862.6 Ų62.64%0.04233%0.329CS..Hα-helixtrans-68.5-43.7178.1-71.4176.1000111.9I34 E35 K40 L41 V42 L112 F115 V116 I191I34-L38 HydrophobicContact CG1-CD1 4.24Å; I34-L38 HydrophobicContact CG1-CG 4.28Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 VanDerWaalsContact O-CG 3.22Å; I34-L38 WeakPolarHBondContact O-CG 3.28Å; I34-L38 PolarHBondContact O-N 3.28Å; E35-L38 PolarHBondContact O-N 3.05Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-K40 PolarHBondContact O-N 3Å; L38-L41 WeakPolarHBondContact O-CB 3.32Å; L38-L41 PolarHBondContact O-N 3.17Å; L38-L41 VanDerWaalsContact O-N 3.1Å; L38-V42 WeakPolarHBondContact O-CG2 3.47Å; L38-V42 PolarHBondContact O-N 3.03Å; L38-L112 HydrophobicContact CD2-CD1 4.2Å; L38-L112 HydrophobicContact CD2-CD2 4.28Å; L38-F115 HydrophobicContact CD1-CD1 3.76Å; L38-F115 HydrophobicContact CD1-CE1 3.88Å; L38-V116 HydrophobicContact CB-CG2 3.8Å; L38-V116 HydrophobicContact CD1-CG2 4.01Å; L38-I191 HydrophobicContact CD1-CD1 4.41Å; L38-I191 HydrophobicContact CD2-CD1 4.1Å; L38-I191 HydrophobicContact CD2-CG1 4.1Å
39D94.4Very high94.4Very high55 Ų5561.5 Ų61.529%0.29433%0.325SS..Hα-helixtrans-59.9-40.8174.9-88.5-17.8000111.7E35 K43E35-D39 WeakPolarHBondContact O-CB 3.22Å; E35-D39 PolarHBondContact O-N 3.35Å; D39-K43 VanDerWaalsContact O-CG 3.31Å; D39-K43 WeakPolarHBondContact O-CG 3.38Å; D39-K43 PolarHBondContact O-N 3.35Å
40K96.4Very high94.7Very high141 Ų14163.7 Ų63.761%0.61333%0.329SS*.Hα-helixtrans-62.6-43.6174-173.9176.9179.2-179.70111.3A36 K37 L38 K43 L44A36-K40 WeakPolarHBondContact O-CB 3.49Å; A36-K40 PolarHBondContact O-N 2.63Å; A36-K40 VanDerWaalsContact O-N 3.13Å; K37-K40 PolarHBondContact O-N 3.34Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-K40 PolarHBondContact O-N 3Å; K40-K43 PolarHBondContact O-N 2.79Å; K40-L44 HydrophobicContact CG-CD1 4.26Å; K40-L44 WeakPolarHBondContact O-CG 3.46Å; K40-L44 PolarHBondContact O-N 3.49Å
41L95.6Very high95.1Very high65 Ų6563 Ų6334%0.3434%0.337SS..Hα-helixtrans-63.7-43.7178.5-177.960.5000112.1K37 L38 K43 L44 C45 V108 L112 M195K37-L41 PolarHBondContact O-N 3.09Å; L38-L41 WeakPolarHBondContact O-CB 3.32Å; L38-L41 PolarHBondContact O-N 3.17Å; L38-L41 VanDerWaalsContact O-N 3.1Å; L41-K43 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 3.23Å; L41-L44 PolarHBondContact O-N 3.15Å; L41-C45 WeakPolarHBondContact O-CB 3.41Å; L41-C45 PolarHBondContact O-N 3.18Å; L41-V108 HydrophobicContact CG-CG1 4.46Å; L41-L112 HydrophobicContact CD2-CD1 3.85Å; L41-L112 HydrophobicContact CG-CD1 4.49Å; L41-M195 HydrophobicContact CD2-CE 4.1Å
42V95.9Very high95.4Very high12 Ų1263 Ų637%0.07334%0.338CS..Hα-helixtrans-61.3-40.3176.41700000111.3L38 S46 K109 L112 H113L38-V42 WeakPolarHBondContact O-CG2 3.47Å; L38-V42 PolarHBondContact O-N 3.03Å; V42-S46 WeakPolarHBondContact O-CB 3.36Å; V42-S46 PolarHBondContact O-N 3.32Å; V42-S46 PolarHBondContact O-OG 3.16Å; V42-K109 HydrophobicContact CG1-CG 3.94Å; V42-L112 HydrophobicContact CG2-CB 3.82Å; V42-H113 HydrophobicContact CG1-CB 4.34Å
43K96.2Very high95.7Very high156 Ų15665 Ų6568%0.67834%0.34SS*.Hα-helixtrans-64.4-46174.6-74.3173.1-177.7175.90112D39 K40 L41 C45 S46 G47D39-K43 VanDerWaalsContact O-CG 3.31Å; D39-K43 WeakPolarHBondContact O-CG 3.38Å; D39-K43 PolarHBondContact O-N 3.35Å; K40-K43 PolarHBondContact O-N 2.79Å; L41-K43 VanDerWaalsContact C-N 3.32Å; L41-K43 PolarHBondContact O-N 3.23Å; K43-C45 PolarHBondContact O-N 3.03Å; K43-S46 WeakPolarHBondContact O-CB 3.5Å; K43-S46 PolarHBondContact O-N 2.99Å; K43-G47 PolarHBondContact O-N 3.43Å
44L97.1Very high95.9Very high112 Ų11263.4 Ų63.459%0.58634%0.343SS*.Hα-helixtrans-62.2-42.7177-70.7171.5000111.8K40 L41 S46 G47 M48K40-L44 HydrophobicContact CG-CD1 4.26Å; K40-L44 WeakPolarHBondContact O-CG 3.46Å; K40-L44 PolarHBondContact O-N 3.49Å; L41-L44 PolarHBondContact O-N 3.15Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 2.75Å; L44-G47 PolarHBondContact O-N 3.47Å; L44-M48 PolarHBondContact O-N 3.07Å
45C96.9Very high96.2Very high8 Ų867 Ų675%0.05436%0.355CS..Hα-helixtrans-62.9-39.9175.2-176.40000111.9L41 K43 G47 M48 I49 V108L41-C45 WeakPolarHBondContact O-CB 3.41Å; L41-C45 PolarHBondContact O-N 3.18Å; K43-C45 PolarHBondContact O-N 3.03Å; C45-G47 PolarHBondContact O-N 2.97Å; C45-M48 WeakPolarHBondContact O-CB 3.36Å; C45-M48 PolarHBondContact O-N 2.95Å; C45-I49 WeakPolarHBondContact O-CD1 3.46Å; C45-I49 VanDerWaalsContact O-CG1 3.29Å; C45-I49 WeakPolarHBondContact O-CG1 3.43Å; C45-I49 PolarHBondContact O-N 3.07Å; C45-V108 HydrophobicContact CB-CB 4.4Å; C45-V108 HydrophobicContact CB-CG1 3.75Å
46S96.5Very high96.4Very high17 Ų1766 Ų6612%0.11935%0.351CS..Hα-helixtrans-60.9-44.9175-62.70000111.9V42 K43 L44 M48 I49 E50 K109V42-S46 WeakPolarHBondContact O-CB 3.36Å; V42-S46 PolarHBondContact O-N 3.32Å; V42-S46 PolarHBondContact O-OG 3.16Å; K43-S46 WeakPolarHBondContact O-CB 3.5Å; K43-S46 PolarHBondContact O-N 2.99Å; L44-S46 VanDerWaalsContact C-N 3.33Å; L44-S46 PolarHBondContact O-N 2.75Å; S46-M48 PolarHBondContact O-N 3.3Å; S46-I49 PolarHBondContact O-N 2.89Å; S46-E50 WeakPolarHBondContact O-CG 3.47Å; S46-E50 PolarHBondContact O-N 2.79Å; S46-K109 WeakPolarHBondContact OG-CD 3.1Å; S46-K109 WeakPolarHBondContact OG-CE 3.38Å; S46-K109 PolarHBondContact OG-NZ 3.03Å
47G97.5Very high96.5Very high37 Ų3766.4 Ų66.438%0.38135%0.35SS..Hα-helixtrans-62.4-40.117500000113K43 L44 C45 I49 E50 A51K43-G47 PolarHBondContact O-N 3.43Å; L44-G47 PolarHBondContact O-N 3.47Å; C45-G47 PolarHBondContact O-N 2.97Å; G47-I49 PolarHBondContact O-N 3.36Å; G47-E50 PolarHBondContact O-N 3.29Å; G47-A51 WeakPolarHBondContact O-CB 3.48Å; G47-A51 PolarHBondContact O-N 2.99Å
48M97Very high96.6Very high73 Ų7363 Ų6336%0.3635%0.346SS..Hα-helixtrans-60.7-43.3173.7178.1-171.670.500111.9L44 C45 S46 G52 F101 A104 F198L44-M48 PolarHBondContact O-N 3.07Å; C45-M48 WeakPolarHBondContact O-CB 3.36Å; C45-M48 PolarHBondContact O-N 2.95Å; S46-M48 PolarHBondContact O-N 3.3Å; M48-G52 PolarHBondContact O-N 3.35Å; M48-F101 HydrophobicContact CG-CE1 4.45Å; M48-A104 HydrophobicContact CE-CB 4.03Å; M48-F198 HydrophobicContact CE-CE2 3.92Å; M48-F198 HydrophobicContact CE-CZ 3.77Å; M48-F198 HydrophobicContact SD-CZ 4.14Å
49I97Very high96.8Very high3 Ų364.4 Ų64.42%0.01535%0.354CS..Hα-helixtrans-66.5-41.2178.3-68.6160.3000111C45 S46 G47 G52 K53 F101 A104 Q105C45-I49 WeakPolarHBondContact O-CD1 3.46Å; C45-I49 VanDerWaalsContact O-CG1 3.29Å; C45-I49 WeakPolarHBondContact O-CG1 3.43Å; C45-I49 PolarHBondContact O-N 3.07Å; S46-I49 PolarHBondContact O-N 2.89Å; G47-I49 PolarHBondContact O-N 3.36Å; I49-G52 PolarHBondContact O-N 3.4Å; I49-K53 HydrophobicContact CG2-CD 4.36Å; I49-K53 WeakPolarHBondContact O-CG 3.15Å; I49-K53 PolarHBondContact O-N 3.24Å; I49-F101 HydrophobicContact CG1-CD1 4.43Å; I49-A104 HydrophobicContact CD1-CB 4.24Å; I49-A104 HydrophobicContact CG1-CB 4.24Å; I49-Q105 HydrophobicContact CD1-CB 3.93Å
50E96.8Very high96.9Very high125 Ų12565.3 Ų65.358%0.58436%0.355SS*.Hα-helixtrans-63.8-46.8177.6-74.8169.8-167.600111.9S46 G47 G52 K53 A54S46-E50 WeakPolarHBondContact O-CG 3.47Å; S46-E50 PolarHBondContact O-N 2.79Å; G47-E50 PolarHBondContact O-N 3.29Å; E50-G52 VanDerWaalsContact C-N 3.29Å; E50-G52 PolarHBondContact O-N 3.1Å; E50-K53 PolarHBondContact O-N 3.29Å; E50-A54 PolarHBondContact O-N 3.44Å; E50-A54 VanDerWaalsContact O-N 3.07Å
51A97.7Very high97Very high64 Ų6464.4 Ų64.453%0.52936%0.356SS..Hα-helixtrans-60.6-40.4172.600000111.7G47 K53 A54 Y55G47-A51 WeakPolarHBondContact O-CB 3.48Å; G47-A51 PolarHBondContact O-N 2.99Å; A51-K53 PolarHBondContact O-N 2.98Å; A51-A54 PolarHBondContact O-N 2.84Å; A51-Y55 WeakPolarHBondContact O-CB 3.43Å; A51-Y55 PolarHBondContact O-N 2.86Å
52G96.5Very high97.1Very high4 Ų467.3 Ų67.34%0.04137%0.366CS..Hα-helixtrans-60.5-42.1174.800000113.8M48 I49 E50 Y55 I56 F101M48-G52 PolarHBondContact O-N 3.35Å; I49-G52 PolarHBondContact O-N 3.4Å; E50-G52 VanDerWaalsContact C-N 3.29Å; E50-G52 PolarHBondContact O-N 3.1Å; G52-Y55 WeakPolarHBondContact O-CB 3.14Å; G52-Y55 PolarHBondContact O-N 2.94Å; G52-I56 WeakPolarHBondContact O-CG1 3.49Å; G52-I56 PolarHBondContact O-N 2.66Å; G52-F101 VanDerWaalsContact CA-CE2 3.41Å
53K95.8Very high97.2Very high129 Ų12966.8 Ų66.856%0.56136%0.363SS*.Hα-helixtrans-64.3-41.8174.8-74.8175.7179.9-178.10111.9I49 E50 A51 I56 S57I49-K53 HydrophobicContact CG2-CD 4.36Å; I49-K53 WeakPolarHBondContact O-CG 3.15Å; I49-K53 PolarHBondContact O-N 3.24Å; E50-K53 PolarHBondContact O-N 3.29Å; A51-K53 PolarHBondContact O-N 2.98Å; K53-I56 PolarHBondContact O-N 3.47Å; K53-S57 WeakPolarHBondContact O-CB 3.37Å; K53-S57 PolarHBondContact O-N 3.47Å
54A97.4Very high97.2Very high64 Ų6462.5 Ų62.553%0.52935%0.348SS..Hα-helixtrans-62.5-44.2174.900000111.3E50 A51 S57 A58E50-A54 PolarHBondContact O-N 3.44Å; E50-A54 VanDerWaalsContact O-N 3.07Å; A51-A54 PolarHBondContact O-N 2.84Å; A54-S57 PolarHBondContact O-N 2.9Å; A54-A58 PolarHBondContact O-N 3.08Å
55Y97Very high97.2Very high108 Ų10859 Ų5942%0.42434%0.338SS..Hα-helixtrans-57.8-47.9174170.4-98.1000112.3A51 G52 S57 A58 N59 H97A51-Y55 WeakPolarHBondContact O-CB 3.43Å; A51-Y55 PolarHBondContact O-N 2.86Å; G52-Y55 WeakPolarHBondContact O-CB 3.14Å; G52-Y55 PolarHBondContact O-N 2.94Å; Y55-S57 VanDerWaalsContact C-N 3.34Å; Y55-S57 PolarHBondContact O-N 2.58Å; Y55-A58 PolarHBondContact O-N 3.09Å; Y55-N59 WeakPolarHBondContact CD2-ND2 3.37Å; Y55-N59 WeakPolarHBondContact CE2-ND2 3.47Å; Y55-N59 PolarHBondContact O-N 3.26Å; Y55-N59 PolarHBondContact O-ND2 3.14Å; Y55-H97 AromaticContact CE1-CD2 3.96Å
56I97.4Very high97.1Very high13 Ų1359.7 Ų59.77%0.06734%0.341CS..Hα-helixtrans-60.2-45.1176.2-77.1159.7000111.1G52 K53 A58 N59 K60 I94 H97 M98 F101G52-I56 WeakPolarHBondContact O-CG1 3.49Å; G52-I56 PolarHBondContact O-N 2.66Å; K53-I56 PolarHBondContact O-N 3.47Å; I56-A58 PolarHBondContact O-N 2.54Å; I56-N59 PolarHBondContact O-N 3.13Å; I56-K60 HydrophobicContact CG2-CD 4.18Å; I56-K60 HydrophobicContact CG2-CG 4.44Å; I56-K60 WeakPolarHBondContact O-CG 3.46Å; I56-K60 PolarHBondContact O-N 2.84Å; I56-I94 HydrophobicContact CG2-CG2 3.82Å; I56-H97 HydrophobicContact CD1-CB 4.18Å; I56-H97 HydrophobicContact CG1-CB 4.16Å; I56-M98 HydrophobicContact CD1-CB 4.38Å; I56-M98 HydrophobicContact CD1-CG 3.63Å; I56-M98 HydrophobicContact CG1-CG 4.29Å; I56-M98 HydrophobicContact CG2-CG 3.96Å; I56-M98 HydrophobicContact CG2-SD 4.23Å; I56-F101 HydrophobicContact CD1-CD2 3.48Å; I56-F101 VanDerWaalsContact CD1-CD2 3.48Å; I56-F101 HydrophobicContact CD1-CE2 3.81Å; I56-F101 HydrophobicContact CG1-CE2 4.46Å
57S97.3Very high97Very high70 Ų7063.8 Ų63.849%0.4935%0.354SS..Hα-helixtrans-61.2-44.5179.8-169.30000111.7K53 A54 Y55 K60 L61K53-S57 WeakPolarHBondContact O-CB 3.37Å; K53-S57 PolarHBondContact O-N 3.47Å; A54-S57 PolarHBondContact O-N 2.9Å; Y55-S57 VanDerWaalsContact C-N 3.34Å; Y55-S57 PolarHBondContact O-N 2.58Å; S57-K60 PolarHBondContact O-N 3.2Å; S57-L61 WeakPolarHBondContact O-CG 3.46Å; S57-L61 PolarHBondContact O-N 3.25Å
58A98Very high96.9Very high58 Ų5866.5 Ų66.548%0.47936%0.36SS..Hα-helixtrans-63.1-43.717700000111.8A54 Y55 I56 K60 L61 F62A54-A58 PolarHBondContact O-N 3.08Å; Y55-A58 PolarHBondContact O-N 3.09Å; I56-A58 PolarHBondContact O-N 2.54Å; A58-K60 PolarHBondContact O-N 3.04Å; A58-L61 PolarHBondContact O-N 2.9Å; A58-F62 PolarHBondContact O-N 3.35Å
59N97.3Very high96.8Very high39 Ų3966.9 Ų66.921%0.20936%0.363CS..Hα-helixtrans-65.1-38.1177.4-83.1-86.3000112.6Y55 I56 L61 F62 V63 I94Y55-N59 WeakPolarHBondContact CD2-ND2 3.37Å; Y55-N59 WeakPolarHBondContact CE2-ND2 3.47Å; Y55-N59 PolarHBondContact O-N 3.26Å; Y55-N59 PolarHBondContact O-ND2 3.14Å; I56-N59 PolarHBondContact O-N 3.13Å; N59-L61 VanDerWaalsContact C-N 3.32Å; N59-L61 PolarHBondContact O-N 3.23Å; N59-F62 PolarHBondContact O-N 3.38Å; N59-V63 WeakPolarHBondContact O-CG2 3.48Å; N59-V63 PolarHBondContact O-N 3.33Å; N59-I94 HydrophobicContact CB-CD1 3.7Å; N59-I94 HydrophobicContact CB-CG1 3.81Å
60K97.6Very high96.7Very high74 Ų7466.8 Ų66.832%0.32236%0.363SS..Hα-helixtrans-60.3-42.5174.4-76-177.6178.2-176.80111.9I56 S57 A58 F62 V63 N64 I94 M98I56-K60 HydrophobicContact CG2-CD 4.18Å; I56-K60 HydrophobicContact CG2-CG 4.44Å; I56-K60 WeakPolarHBondContact O-CG 3.46Å; I56-K60 PolarHBondContact O-N 2.84Å; S57-K60 PolarHBondContact O-N 3.2Å; A58-K60 PolarHBondContact O-N 3.04Å; K60-F62 VanDerWaalsContact C-N 3.35Å; K60-V63 PolarHBondContact O-N 2.72Å; K60-N64 WeakPolarHBondContact O-CB 3.32Å; K60-N64 PolarHBondContact O-N 3.13Å; K60-N64 PolarHBondContact O-ND2 3.17Å; K60-I94 HydrophobicContact CD-CG2 4.48Å; K60-I94 HydrophobicContact CG-CD1 4.13Å; K60-I94 HydrophobicContact CG-CG2 3.93Å; K60-M98 PolarHBondContact NZ-SD 3.1Å
61L97.7Very high96.4Very high121 Ų12166.6 Ų66.663%0.63436%0.362SS*.Hα-helixtrans-63.9-41.5176.1-68.3173.4000111.6S57 A58 N59 N64 G65S57-L61 WeakPolarHBondContact O-CG 3.46Å; S57-L61 PolarHBondContact O-N 3.25Å; A58-L61 PolarHBondContact O-N 2.9Å; N59-L61 VanDerWaalsContact C-N 3.32Å; N59-L61 PolarHBondContact O-N 3.23Å; L61-N64 PolarHBondContact O-N 2.97Å; L61-G65 PolarHBondContact O-N 3.28Å
62F97.8Very high96.1Very high126 Ų12671.2 Ų71.255%0.55337%0.372SS*.Hα-helixtrans-61.8-47.4175.8178.3-111.3000112.4A58 N59 K60 N64 G65 I66 L90A58-F62 PolarHBondContact O-N 3.35Å; N59-F62 PolarHBondContact O-N 3.38Å; K60-F62 VanDerWaalsContact C-N 3.35Å; F62-N64 VanDerWaalsContact C-N 3.32Å; F62-N64 PolarHBondContact O-N 3.02Å; F62-G65 PolarHBondContact O-N 3.44Å; F62-G65 VanDerWaalsContact O-N 3.11Å; F62-I66 HydrophobicContact CD1-CD1 4.05Å; F62-I66 HydrophobicContact CE1-CD1 3.56Å; F62-I66 HydrophobicContact CE1-CG1 4.44Å; F62-I66 HydrophobicContact CZ-CD1 3.86Å; F62-I66 HydrophobicContact CZ-CG1 4.38Å; F62-I66 PolarHBondContact O-N 3.02Å; F62-L90 HydrophobicContact CE1-CD1 4.18Å
63V97.8Very high95.8Very high1 Ų172.6 Ų72.61%0.00638%0.381CS..Hα-helixtrans-62.1-39.2176.9170.70000111.8N59 K60 G65 I66 R67 G87 L90 Q91 I94N59-V63 WeakPolarHBondContact O-CG2 3.48Å; N59-V63 PolarHBondContact O-N 3.33Å; K60-V63 PolarHBondContact O-N 2.72Å; V63-G65 VanDerWaalsContact C-N 3.32Å; V63-G65 PolarHBondContact O-N 2.9Å; V63-I66 WeakPolarHBondContact O-CB 3.26Å; V63-I66 PolarHBondContact O-N 3Å; V63-R67 PolarHBondContact O-N 3.37Å; V63-G87 VanDerWaalsContact CG1-O 3.3Å; V63-G87 WeakPolarHBondContact CG1-O 3.26Å; V63-L90 HydrophobicContact CG2-CB 3.52Å; V63-L90 HydrophobicContact CG2-CD1 4.28Å; V63-Q91 HydrophobicContact CG1-CB 4.38Å; V63-I94 HydrophobicContact CB-CD1 4.46Å; V63-I94 HydrophobicContact CG2-CD1 3.77Å
64N96.2Very high95.2Very high67 Ų6772.7 Ų72.736%0.35838%0.381SS..Hα-helixtrans-62.1-41.1173.7-71.6-19.5000111.6K60 L61 F62 I66 R67 D68K60-N64 WeakPolarHBondContact O-CB 3.32Å; K60-N64 PolarHBondContact O-N 3.13Å; K60-N64 PolarHBondContact O-ND2 3.17Å; L61-N64 PolarHBondContact O-N 2.97Å; F62-N64 VanDerWaalsContact C-N 3.32Å; F62-N64 PolarHBondContact O-N 3.02Å; N64-I66 VanDerWaalsContact C-N 3.33Å; N64-I66 PolarHBondContact O-N 3.33Å; N64-R67 WeakPolarHBondContact O-CB 3.24Å; N64-R67 PolarHBondContact O-N 3.3Å; N64-R67 VanDerWaalsContact O-N 3.11Å; N64-D68 PolarHBondContact O-N 3.44Å
65G97.1Very high94.7Very high38 Ų3879.8 Ų79.839%0.39240%0.4SS..Hα-helixtrans-60.8-38174.300000113.6L61 F62 V63 R67 D68 L69L61-G65 PolarHBondContact O-N 3.28Å; F62-G65 PolarHBondContact O-N 3.44Å; F62-G65 VanDerWaalsContact O-N 3.11Å; V63-G65 VanDerWaalsContact C-N 3.32Å; V63-G65 PolarHBondContact O-N 2.9Å; G65-R67 VanDerWaalsContact C-N 3.35Å; G65-D68 PolarHBondContact O-N 3.25Å; G65-L69 PolarHBondContact O-N 3.46Å
66I96.1Very high94.3Very high22 Ų2278.1 Ų78.111%0.11340%0.399CS..Hα-helixtrans-61.8-44.7172.2-67.5172.6000110.6F62 V63 N64 L69 S70 L83 L90F62-I66 HydrophobicContact CD1-CD1 4.05Å; F62-I66 HydrophobicContact CE1-CD1 3.56Å; F62-I66 HydrophobicContact CE1-CG1 4.44Å; F62-I66 HydrophobicContact CZ-CD1 3.86Å; F62-I66 HydrophobicContact CZ-CG1 4.38Å; F62-I66 PolarHBondContact O-N 3.02Å; V63-I66 WeakPolarHBondContact O-CB 3.26Å; V63-I66 PolarHBondContact O-N 3Å; N64-I66 VanDerWaalsContact C-N 3.33Å; N64-I66 PolarHBondContact O-N 3.33Å; I66-L69 PolarHBondContact O-N 3.33Å; I66-S70 PolarHBondContact O-N 3.46Å; I66-L83 HydrophobicContact CG2-CB 4.08Å; I66-L83 HydrophobicContact CG2-CD2 4.07Å; I66-L83 VanDerWaalsContact CG2-O 3.3Å; I66-L83 WeakPolarHBondContact CG2-O 3.4Å; I66-L90 HydrophobicContact CD1-CD1 3.71Å
67R94.6Very high93.9Very high103 Ų10385 Ų8539%0.38943%0.431SS..Hα-helixtrans-66.6-38.4-178.6-144.4179.8-80.4142.4-4.9111.8V63 N64 G65 S70 Q71V63-R67 PolarHBondContact O-N 3.37Å; N64-R67 WeakPolarHBondContact O-CB 3.24Å; N64-R67 PolarHBondContact O-N 3.3Å; N64-R67 VanDerWaalsContact O-N 3.11Å; G65-R67 VanDerWaalsContact C-N 3.35Å; R67-S70 WeakPolarHBondContact O-CB 3.27Å; R67-S70 PolarHBondContact O-N 3Å; R67-Q71 PolarHBondContact O-N 2.75Å
68D94.8Very high93.5Very high95 Ų9584.4 Ų84.451%0.50842%0.421SS..Hα-helixtrans-64.4-42174-70.8-18.5000111.8N64 G65 Q71 Q72N64-D68 PolarHBondContact O-N 3.44Å; G65-D68 PolarHBondContact O-N 3.25Å; D68-Q71 PolarHBondContact O-N 3.01Å; D68-Q72 PolarHBondContact O-N 3.5Å; D68-Q72 VanDerWaalsContact O-N 3.16Å
69L94.6Very high93.1Very high81 Ų8185.1 Ų85.142%0.42442%0.416SS..Hα-helixtrans-63-43.2175.2-178.162.3000111.2G65 I66 Q71 Q72 C73 L83G65-L69 PolarHBondContact O-N 3.46Å; I66-L69 PolarHBondContact O-N 3.33Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-Q71 PolarHBondContact O-N 3.23Å; L69-Q72 PolarHBondContact O-N 3.17Å; L69-Q72 VanDerWaalsContact O-N 3.15Å; L69-C73 PolarHBondContact O-N 2.88Å; L69-C73 PolarHBondContact O-SG 3.49Å; L69-L83 HydrophobicContact CB-CD1 4.18Å; L69-L83 HydrophobicContact CD2-CD1 3.87Å; L69-L83 HydrophobicContact CD2-CD2 4.47Å; L69-L83 HydrophobicContact CG-CD1 3.72Å
70S94.4Very high92.9Very high1 Ų184 Ų841%0.00741%0.411CS..Hα-helixtrans-55.5-44.4173.8-173.40000111.7I66 R67 Q72 C73 K74 S80 E84I66-S70 PolarHBondContact O-N 3.46Å; R67-S70 WeakPolarHBondContact O-CB 3.27Å; R67-S70 PolarHBondContact O-N 3Å; S70-Q72 VanDerWaalsContact C-N 3.31Å; S70-Q72 PolarHBondContact O-N 3.25Å; S70-C73 CarbonylContact O-C 3.47Å; S70-C73 PolarHBondContact O-N 3.49Å; S70-K74 PolarHBondContact O-N 3.15Å; S70-S80 PolarHBondContact OG-O 3.28Å; S70-S80 VanDerWaalsContact OG-O 3.07Å; S70-S80 PolarHBondContact OG-OG 3.04Å; S70-E84 WeakPolarHBondContact OG-CG 3.45Å
71Q90.9Very high92.6Very high121 Ų12184.2 Ų84.257%0.56541%0.413SS*.Hα-helixtrans-63.7-33.1179.2-178.8167.9-0.100113.7R67 D68 L69 K74R67-Q71 PolarHBondContact O-N 2.75Å; D68-Q71 PolarHBondContact O-N 3.01Å; L69-Q71 VanDerWaalsContact C-N 3.27Å; L69-Q71 PolarHBondContact O-N 3.23Å; Q71-K74 HydrophobicContact CG-CD 4.36Å; Q71-K74 WeakPolarHBondContact O-CG 3.42Å
72Q92.1Very high92.4Very high160 Ų16079.5 Ų79.575%0.74839%0.39SS*.Hα-helixtrans-71.8-34.6174.2-66.7179.717.200111.8D68 L69 S70 K74D68-Q72 PolarHBondContact O-N 3.5Å; D68-Q72 VanDerWaalsContact O-N 3.16Å; L69-Q72 PolarHBondContact O-N 3.17Å; L69-Q72 VanDerWaalsContact O-N 3.15Å; S70-Q72 VanDerWaalsContact C-N 3.31Å; S70-Q72 PolarHBondContact O-N 3.25Å; Q72-K74 VanDerWaalsContact C-N 3.3Å; Q72-K74 PolarHBondContact O-N 3.31Å
73C89.8Confident92.2Very high33 Ų3375.1 Ų75.122%0.22337%0.372CS..THydrogen-bonded Turntrans-85.412.5-179.2-65.10000114.3L69 S70 K75 D76 I79L69-C73 PolarHBondContact O-N 2.88Å; L69-C73 PolarHBondContact O-SG 3.49Å; S70-C73 CarbonylContact O-C 3.47Å; S70-C73 PolarHBondContact O-N 3.49Å; C73-K75 PolarHBondContact O-N 2.99Å; C73-D76 CarbonylContact O-C 3.57Å; C73-D76 WeakPolarHBondContact O-CA 3.42Å; C73-D76 PolarHBondContact O-N 3.09Å; C73-D76 VanDerWaalsContact O-O 3.09Å; C73-I79 HydrophobicContact CB-CB 4.3Å; C73-I79 HydrophobicContact CB-CG2 3.72Å
74K83.3Confident92Very high131 Ų13179.2 Ų79.257%0.5739%0.391SS*.THydrogen-bonded Turntrans-53.6-16.7-178.8-82-178.2175.5-171.70116.8S70 Q71 Q72 D76S70-K74 PolarHBondContact O-N 3.15Å; Q71-K74 HydrophobicContact CG-CD 4.36Å; Q71-K74 WeakPolarHBondContact O-CG 3.42Å; Q72-K74 VanDerWaalsContact C-N 3.3Å; Q72-K74 PolarHBondContact O-N 3.31Å; K74-D76 VanDerWaalsContact C-N 3.34Å
75K86.6Confident91.9Very high213 Ų21379.3 Ų79.393%0.92639%0.388SS*.THydrogen-bonded Turntrans-78.8-22.6174.8-67-176.9179.8178.30112.7C73C73-K75 PolarHBondContact O-N 2.99Å
76D89.4Confident91.7Very high73 Ų7380 Ų8039%0.3939%0.387SS..  trans-10698.7177.1-168.9-40.7000108.2C73 K74 M78 I79 S80C73-D76 CarbonylContact O-C 3.57Å; C73-D76 WeakPolarHBondContact O-CA 3.42Å; C73-D76 PolarHBondContact O-N 3.09Å; C73-D76 VanDerWaalsContact O-O 3.09Å; K74-D76 VanDerWaalsContact C-N 3.34Å; D76-M78 VanDerWaalsContact C-N 3.26Å; D76-M78 PolarHBondContact O-N 3.42Å; D76-M78 PolarHBondContact OD1-N 3.07Å; D76-I79 HydrophobicContact CB-CB 4.21Å; D76-I79 HydrophobicContact CB-CD1 4.17Å; D76-I79 HydrophobicContact CB-CG1 4.31Å; D76-I79 PolarHBondContact O-N 3.24Å; D76-I79 PolarHBondContact OD1-N 3.37Å; D76-I79 VanDerWaalsContact OD2-CD1 3.32Å; D76-I79 WeakPolarHBondContact OD2-CD1 3.19Å; D76-S80 WeakPolarHBondContact O-CB 3.45Å; D76-S80 PolarHBondContact O-N 3.12Å
77E88.6Confident91.7Very high159 Ų15979 Ų7974%0.74338%0.381SS*.Hα-helixtrans-59.1-38.1-175.3-171.5172.9-172.600111.8S80 E81E77-S80 PolarHBondContact O-N 3.37Å; E77-E81 WeakPolarHBondContact O-CB 3.26Å; E77-E81 PolarHBondContact O-N 3.47Å
78M87.9Confident91.7Very high57 Ų5780 Ų8028%0.28139%0.39SS..Hα-helixtrans-68.3-45.9-177.9-172.4-174-177.100111.9D76 C82 L223 E226 L230D76-M78 VanDerWaalsContact C-N 3.26Å; D76-M78 PolarHBondContact O-N 3.42Å; D76-M78 PolarHBondContact OD1-N 3.07Å; M78-C82 WeakPolarHBondContact O-CB 3.34Å; M78-C82 PolarHBondContact O-N 3.18Å; M78-C82 VanDerWaalsContact O-N 3.17Å; M78-L223 HydrophobicContact CE-CD1 3.99Å; M78-E226 HydrophobicContact CE-CB 3.27Å; M78-E226 HydrophobicContact CE-CG 4.18Å; M78-E226 WeakPolarHBondContact CE-OE2 3.45Å; M78-L230 HydrophobicContact CE-CD1 4Å; M78-L230 HydrophobicContact SD-CD1 3.7Å
79I90.7Very high91.8Very high73 Ų7376.1 Ų76.137%0.37437%0.371SS..Hα-helixtrans-66.2-42.6176.7-63.8176.9000110.4C73 D76 C82 L83C73-I79 HydrophobicContact CB-CB 4.3Å; C73-I79 HydrophobicContact CB-CG2 3.72Å; D76-I79 HydrophobicContact CB-CB 4.21Å; D76-I79 HydrophobicContact CB-CD1 4.17Å; D76-I79 HydrophobicContact CB-CG1 4.31Å; D76-I79 PolarHBondContact O-N 3.24Å; D76-I79 PolarHBondContact OD1-N 3.37Å; D76-I79 VanDerWaalsContact OD2-CD1 3.32Å; D76-I79 WeakPolarHBondContact OD2-CD1 3.19Å; I79-C82 PolarHBondContact O-N 3.39Å; I79-L83 HydrophobicContact CG2-CD1 3.71Å; I79-L83 HydrophobicContact CG2-CG 4.31Å; I79-L83 WeakPolarHBondContact O-CB 3.39Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.46Å; I79-L83 PolarHBondContact O-N 2.91Å
80S92.5Very high91.8Very high14 Ų1475 Ų7510%0.09837%0.365CS..Hα-helixtrans-61.6-49.2179.9-166.30000111.7S70 D76 E77 C82 L83 E84S70-S80 PolarHBondContact OG-O 3.28Å; S70-S80 VanDerWaalsContact OG-O 3.07Å; S70-S80 PolarHBondContact OG-OG 3.04Å; D76-S80 WeakPolarHBondContact O-CB 3.45Å; D76-S80 PolarHBondContact O-N 3.12Å; E77-S80 PolarHBondContact O-N 3.37Å; S80-C82 PolarHBondContact O-N 3Å; S80-L83 PolarHBondContact O-N 3.47Å; S80-E84 WeakPolarHBondContact O-CB 3.41Å; S80-E84 WeakPolarHBondContact O-CG 3.1Å; S80-E84 PolarHBondContact O-N 3.43Å
81E91.6Very high91.9Very high80 Ų8076.7 Ų76.737%0.37437%0.373SS..Hα-helixtrans-61.9-43179.8-172-170164.400111.5E77 E84 K85E77-E81 WeakPolarHBondContact O-CB 3.26Å; E77-E81 PolarHBondContact O-N 3.47Å; E81-E84 PolarHBondContact O-N 2.99Å; E81-K85 HydrophobicContact CG-CD 4.4Å; E81-K85 WeakPolarHBondContact O-CG 3.5Å; E81-K85 PolarHBondContact O-N 2.93Å; E81-K85 WeakPolarHBondContact OE1-CE 3.47Å; E81-K85 IonicContact OE1-NZ 3.93Å; E81-K85 PolarHBondContact OE1-NZ 3.21Å
82C93.6Very high92.2Very high22 Ų2274.8 Ų74.815%0.14936%0.364CS..Hα-helixtrans-61.3-50177.6176.30000112.2M78 I79 S80 E84 K85 C86 Y219 L223M78-C82 WeakPolarHBondContact O-CB 3.34Å; M78-C82 PolarHBondContact O-N 3.18Å; M78-C82 VanDerWaalsContact O-N 3.17Å; I79-C82 PolarHBondContact O-N 3.39Å; S80-C82 PolarHBondContact O-N 3Å; C82-E84 VanDerWaalsContact C-N 3.33Å; C82-E84 PolarHBondContact O-N 3.37Å; C82-K85 PolarHBondContact O-N 2.86Å; C82-C86 WeakPolarHBondContact O-CB 3.48Å; C82-C86 PolarHBondContact O-N 3.43Å; C82-C86 PolarHBondContact O-SG 3.49Å; C82-Y219 WeakPolarHBondContact CA-OH 3.37Å; C82-L223 HydrophobicContact CB-CD1 4.43Å; C82-L223 HydrophobicContact CB-CD2 4.38Å; C82-L223 WeakPolarHBondContact SG-CD2 3.41Å
83L94.3Very high92.4Very high33 Ų3368.9 Ų68.917%0.17334%0.337CS..Hα-helixtrans-68.5-34.4-177.5-67.2174.6000111.8I66 L69 I79 S80 G87I66-L83 HydrophobicContact CG2-CB 4.08Å; I66-L83 HydrophobicContact CG2-CD2 4.07Å; I66-L83 VanDerWaalsContact CG2-O 3.3Å; I66-L83 WeakPolarHBondContact CG2-O 3.4Å; L69-L83 HydrophobicContact CB-CD1 4.18Å; L69-L83 HydrophobicContact CD2-CD1 3.87Å; L69-L83 HydrophobicContact CD2-CD2 4.47Å; L69-L83 HydrophobicContact CG-CD1 3.72Å; I79-L83 HydrophobicContact CG2-CD1 3.71Å; I79-L83 HydrophobicContact CG2-CG 4.31Å; I79-L83 WeakPolarHBondContact O-CB 3.39Å; I79-L83 VanDerWaalsContact O-CG 3.3Å; I79-L83 WeakPolarHBondContact O-CG 3.46Å; I79-L83 PolarHBondContact O-N 2.91Å; S80-L83 PolarHBondContact O-N 3.47Å; L83-G87 PolarHBondContact O-N 2.84Å
84E93.6Very high92.8Very high88 Ų8867.5 Ų67.541%0.41133%0.328SS..Hα-helixtrans-62.3-53.4173.2-79.3176.6-179.400111.3S70 S80 E81 C82 C86 G87 E88S70-E84 WeakPolarHBondContact OG-CG 3.45Å; S80-E84 WeakPolarHBondContact O-CB 3.41Å; S80-E84 WeakPolarHBondContact O-CG 3.1Å; S80-E84 PolarHBondContact O-N 3.43Å; E81-E84 PolarHBondContact O-N 2.99Å; C82-E84 VanDerWaalsContact C-N 3.33Å; C82-E84 PolarHBondContact O-N 3.37Å; E84-C86 PolarHBondContact O-N 3.4Å; E84-G87 PolarHBondContact O-N 3.05Å; E84-G87 VanDerWaalsContact O-N 3.11Å; E84-E88 WeakPolarHBondContact O-CG 3.29Å; E84-E88 PolarHBondContact O-N 3.15Å
85K93.4Very high93.4Very high68 Ų6863.7 Ų63.730%0.29631%0.313SS..Hα-helixtrans-58.3-47.6178.1-75.5-180178.4172.40112E81 C82 G87 E88 S89 Y219E81-K85 HydrophobicContact CG-CD 4.4Å; E81-K85 WeakPolarHBondContact O-CG 3.5Å; E81-K85 PolarHBondContact O-N 2.93Å; E81-K85 WeakPolarHBondContact OE1-CE 3.47Å; E81-K85 IonicContact OE1-NZ 3.93Å; E81-K85 PolarHBondContact OE1-NZ 3.21Å; C82-K85 PolarHBondContact O-N 2.86Å; K85-G87 VanDerWaalsContact C-N 3.31Å; K85-G87 PolarHBondContact O-N 3.45Å; K85-E88 PolarHBondContact O-N 3.24Å; K85-S89 PolarHBondContact O-N 3.41Å; K85-S89 PolarHBondContact O-OG 3.5Å; K85-Y219 HydrophobicContact CB-CE1 4.32Å; K85-Y219 HydrophobicContact CD-CD1 4.13Å; K85-Y219 HydrophobicContact CD-CD2 4.11Å; K85-Y219 HydrophobicContact CD-CE1 3.8Å; K85-Y219 HydrophobicContact CD-CE2 3.79Å; K85-Y219 HydrophobicContact CD-CG 4.28Å
86C93.6Very high93.9Very high53 Ų5355.5 Ų55.536%0.35828%0.277SS..Hα-helixtrans-59.5-41.9176.1-71.20000112.1C82 E84 L90C82-C86 WeakPolarHBondContact O-CB 3.48Å; C82-C86 PolarHBondContact O-N 3.43Å; C82-C86 PolarHBondContact O-SG 3.49Å; E84-C86 PolarHBondContact O-N 3.4Å; C86-L90 WeakPolarHBondContact O-CB 3.41Å; C86-L90 WeakPolarHBondContact O-CG 3.44Å; C86-L90 PolarHBondContact O-N 2.85Å
87G95.2Very high94.3Very high0 Ų053.8 Ų53.80%027%0.267CS..Hα-helixtrans-65.2-40.2178.300000113.1V63 L83 E84 K85 Q91V63-G87 VanDerWaalsContact CG1-O 3.3Å; V63-G87 WeakPolarHBondContact CG1-O 3.26Å; L83-G87 PolarHBondContact O-N 2.84Å; E84-G87 PolarHBondContact O-N 3.05Å; E84-G87 VanDerWaalsContact O-N 3.11Å; K85-G87 VanDerWaalsContact C-N 3.31Å; K85-G87 PolarHBondContact O-N 3.45Å; G87-Q91 WeakPolarHBondContact O-CB 3.49Å; G87-Q91 PolarHBondContact O-N 3.35Å; G87-Q91 VanDerWaalsContact O-N 3.09Å
88E95.4Very high94.7Very high124 Ų12450.1 Ų50.158%0.57925%0.25SS*.Hα-helixtrans-65.7-48.9175.7-72178.9171.600111.5E84 K85 L90 Q91 E92E84-E88 WeakPolarHBondContact O-CG 3.29Å; E84-E88 PolarHBondContact O-N 3.15Å; K85-E88 PolarHBondContact O-N 3.24Å; E88-L90 PolarHBondContact O-N 3.49Å; E88-Q91 WeakPolarHBondContact O-CB 3.48Å; E88-Q91 PolarHBondContact O-N 3.06Å; E88-Q91 VanDerWaalsContact O-N 3.1Å; E88-E92 PolarHBondContact O-N 2.87Å
89S95.6Very high95.1Very high15 Ų1552 Ų5211%0.10526%0.261CS..Hα-helixtrans-63.1-43.2-179.9-52.90000112.8K85 Q91 E92 I93 L212 L216K85-S89 PolarHBondContact O-N 3.41Å; K85-S89 PolarHBondContact O-OG 3.5Å; S89-Q91 VanDerWaalsContact C-N 3.26Å; S89-Q91 PolarHBondContact O-N 2.88Å; S89-E92 PolarHBondContact O-N 3.1Å; S89-I93 WeakPolarHBondContact O-CG1 3.49Å; S89-I93 PolarHBondContact O-N 3.23Å; S89-I93 VanDerWaalsContact O-N 3.12Å; S89-L212 WeakPolarHBondContact O-CD2 3.33Å; S89-L216 WeakPolarHBondContact OG-CD1 3.5Å; S89-L216 WeakPolarHBondContact OG-CD2 3.36Å
90L95.8Very high95.4Very high57 Ų5749 Ų4930%0.29825%0.245SC..Hα-helixtrans-65.1-32.6175.3-70.5172.7000111.8F62 V63 I66 C86 E88 I93 I94F62-L90 HydrophobicContact CE1-CD1 4.18Å; V63-L90 HydrophobicContact CG2-CB 3.52Å; V63-L90 HydrophobicContact CG2-CD1 4.28Å; I66-L90 HydrophobicContact CD1-CD1 3.71Å; C86-L90 WeakPolarHBondContact O-CB 3.41Å; C86-L90 WeakPolarHBondContact O-CG 3.44Å; C86-L90 PolarHBondContact O-N 2.85Å; E88-L90 PolarHBondContact O-N 3.49Å; L90-I93 HydrophobicContact CD2-CD1 4.47Å; L90-I93 PolarHBondContact O-N 3.04Å; L90-I94 VanDerWaalsContact O-CG1 3.28Å; L90-I94 WeakPolarHBondContact O-CG1 3.31Å; L90-I94 PolarHBondContact O-N 3.43Å; L90-I94 VanDerWaalsContact O-N 3.07Å
91Q97.1Very high95.6Very high37 Ų3749.7 Ų49.717%0.17325%0.246CC..Hα-helixtrans-64.8-40.4175.2-173.258.67300112V63 G87 E88 S89 I94 N95V63-Q91 HydrophobicContact CG1-CB 4.38Å; G87-Q91 WeakPolarHBondContact O-CB 3.49Å; G87-Q91 PolarHBondContact O-N 3.35Å; G87-Q91 VanDerWaalsContact O-N 3.09Å; E88-Q91 WeakPolarHBondContact O-CB 3.48Å; E88-Q91 PolarHBondContact O-N 3.06Å; E88-Q91 VanDerWaalsContact O-N 3.1Å; S89-Q91 VanDerWaalsContact C-N 3.26Å; S89-Q91 PolarHBondContact O-N 2.88Å; Q91-I94 WeakPolarHBondContact O-CB 3.47Å; Q91-I94 PolarHBondContact O-N 3.37Å; Q91-N95 PolarHBondContact NE2-OD1 3.45Å; Q91-N95 PolarHBondContact O-N 3.11Å; Q91-N95 PolarHBondContact O-ND2 3.27Å; Q91-N95 PolarHBondContact O-OD1 3Å
92E96.9Very high95.8Very high80 Ų8049.5 Ų49.537%0.37425%0.248SC..Hα-helixtrans-65.4-41.4175.4-69.8-52.313600112.2E88 S89 I94 N95 Y96 L212E88-E92 PolarHBondContact O-N 2.87Å; S89-E92 PolarHBondContact O-N 3.1Å; E92-I94 VanDerWaalsContact C-N 3.26Å; E92-I94 PolarHBondContact O-N 2.93Å; E92-N95 WeakPolarHBondContact O-CA 3.48Å; E92-N95 WeakPolarHBondContact O-CB 3.46Å; E92-N95 PolarHBondContact O-N 2.92Å; E92-N95 PolarHBondContact OE1-ND2 2.98Å; E92-N95 PolarHBondContact OE2-ND2 2.87Å; E92-Y96 HydrophobicContact CB-CE2 4.39Å; E92-Y96 WeakPolarHBondContact O-CD2 3.39Å; E92-Y96 PolarHBondContact O-N 3.28Å; E92-L212 HydrophobicContact CB-CD2 3.71Å
93I96.1Very high95.9Very high36 Ų3650.9 Ų50.919%0.18525%0.252CS..Hα-helixtrans-58.2-41.5173.5-66.4173.4000110.9S89 L90 N95 Y96 H97 L212 L213S89-I93 WeakPolarHBondContact O-CG1 3.49Å; S89-I93 PolarHBondContact O-N 3.23Å; S89-I93 VanDerWaalsContact O-N 3.12Å; L90-I93 HydrophobicContact CD2-CD1 4.47Å; L90-I93 PolarHBondContact O-N 3.04Å; I93-N95 VanDerWaalsContact C-N 3.32Å; I93-N95 PolarHBondContact O-N 3.24Å; I93-Y96 PolarHBondContact O-N 2.82Å; I93-H97 PolarHBondContact O-N 3.3Å; I93-H97 VanDerWaalsContact O-N 3.14Å; I93-H97 PolarHBondContact O-ND1 3.13Å; I93-L212 HydrophobicContact CG1-CD2 3.87Å; I93-L213 HydrophobicContact CD1-CD2 4.3Å
94I97.2Very high96Very high5 Ų549.3 Ų49.33%0.02624%0.244CC..Hα-helixtrans-61.8-41.3175-68.1164.4000111I56 N59 K60 V63 L90 Q91 E92 Y96 H97 M98I56-I94 HydrophobicContact CG2-CG2 3.82Å; N59-I94 HydrophobicContact CB-CD1 3.7Å; N59-I94 HydrophobicContact CB-CG1 3.81Å; K60-I94 HydrophobicContact CD-CG2 4.48Å; K60-I94 HydrophobicContact CG-CD1 4.13Å; K60-I94 HydrophobicContact CG-CG2 3.93Å; V63-I94 HydrophobicContact CB-CD1 4.46Å; V63-I94 HydrophobicContact CG2-CD1 3.77Å; L90-I94 VanDerWaalsContact O-CG1 3.28Å; L90-I94 WeakPolarHBondContact O-CG1 3.31Å; L90-I94 PolarHBondContact O-N 3.43Å; L90-I94 VanDerWaalsContact O-N 3.07Å; Q91-I94 WeakPolarHBondContact O-CB 3.47Å; Q91-I94 PolarHBondContact O-N 3.37Å; E92-I94 VanDerWaalsContact C-N 3.26Å; E92-I94 PolarHBondContact O-N 2.93Å; I94-Y96 VanDerWaalsContact C-N 3.35Å; I94-Y96 PolarHBondContact O-N 3.42Å; I94-H97 PolarHBondContact O-N 3.29Å; I94-M98 WeakPolarHBondContact O-CG 3.47Å; I94-M98 PolarHBondContact O-N 3.01Å
95N97.1Very high96.2Very high50 Ų5047.9 Ų47.927%0.26724%0.237SC..Hα-helixtrans-61.8-42.9178.2-62.7-21.5000111Q91 E92 I93 H97 M98 I99Q91-N95 PolarHBondContact NE2-OD1 3.45Å; Q91-N95 PolarHBondContact O-N 3.11Å; Q91-N95 PolarHBondContact O-ND2 3.27Å; Q91-N95 PolarHBondContact O-OD1 3Å; E92-N95 WeakPolarHBondContact O-CA 3.48Å; E92-N95 WeakPolarHBondContact O-CB 3.46Å; E92-N95 PolarHBondContact O-N 2.92Å; E92-N95 PolarHBondContact OE1-ND2 2.98Å; E92-N95 PolarHBondContact OE2-ND2 2.87Å; I93-N95 VanDerWaalsContact C-N 3.32Å; I93-N95 PolarHBondContact O-N 3.24Å; N95-H97 PolarHBondContact O-N 3.33Å; N95-M98 WeakPolarHBondContact O-CB 3.37Å; N95-M98 PolarHBondContact O-N 3.42Å; N95-M98 VanDerWaalsContact O-N 3.14Å; N95-I99 WeakPolarHBondContact O-CG1 3.22Å; N95-I99 PolarHBondContact O-N 2.91Å
96Y97.3Very high96.3Very high42 Ų4250.4 Ų50.417%0.16525%0.245CC..Hα-helixtrans-62.5-40.9176.6-54.3-31.4000112.3E92 I93 I94 M98 I99 L100 L205 Q208 L212E92-Y96 HydrophobicContact CB-CE2 4.39Å; E92-Y96 WeakPolarHBondContact O-CD2 3.39Å; E92-Y96 PolarHBondContact O-N 3.28Å; I93-Y96 PolarHBondContact O-N 2.82Å; I94-Y96 VanDerWaalsContact C-N 3.35Å; I94-Y96 PolarHBondContact O-N 3.42Å; Y96-M98 VanDerWaalsContact C-N 3.33Å; Y96-M98 PolarHBondContact O-N 3.42Å; Y96-I99 PolarHBondContact O-N 2.88Å; Y96-L100 PolarHBondContact O-N 3.31Å; Y96-L205 VanDerWaalsContact CB-CD1 3.44Å; Y96-Q208 HydrophobicContact CD1-CB 4.2Å; Y96-Q208 HydrophobicContact CD2-CB 3.92Å; Y96-Q208 HydrophobicContact CE1-CB 4.06Å; Y96-Q208 VanDerWaalsContact CE1-OE1 3.28Å; Y96-Q208 HydrophobicContact CE2-CB 3.74Å; Y96-Q208 HydrophobicContact CG-CB 4.16Å; Y96-L212 HydrophobicContact CE2-CD2 4.14Å
97H96.9Very high96.3Very high37 Ų3748 Ų4817%0.17123%0.229CC..Hα-helixtrans-63.5-38173.7-74.185.5000112.1Y55 I56 I93 I94 N95 I99 L100 F101Y55-H97 AromaticContact CE1-CD2 3.96Å; I56-H97 HydrophobicContact CD1-CB 4.18Å; I56-H97 HydrophobicContact CG1-CB 4.16Å; I93-H97 PolarHBondContact O-N 3.3Å; I93-H97 VanDerWaalsContact O-N 3.14Å; I93-H97 PolarHBondContact O-ND1 3.13Å; I94-H97 PolarHBondContact O-N 3.29Å; N95-H97 PolarHBondContact O-N 3.33Å; H97-I99 VanDerWaalsContact C-N 3.35Å; H97-L100 WeakPolarHBondContact O-CB 3.34Å; H97-L100 PolarHBondContact O-N 2.86Å; H97-F101 HydrophobicContact CB-CE2 4.25Å; H97-F101 WeakPolarHBondContact O-CD2 3.37Å; H97-F101 PolarHBondContact O-N 3.38Å
98M96.5Very high96.3Very high81 Ų8148.3 Ų48.340%0.39923%0.231SC..Hα-helixtrans-60.4-45.2175.4-76.3-178.457.200111.5I56 K60 I94 N95 Y96 L100 F101 D102I56-M98 HydrophobicContact CD1-CB 4.38Å; I56-M98 HydrophobicContact CD1-CG 3.63Å; I56-M98 HydrophobicContact CG1-CG 4.29Å; I56-M98 HydrophobicContact CG2-CG 3.96Å; I56-M98 HydrophobicContact CG2-SD 4.23Å; K60-M98 PolarHBondContact NZ-SD 3.1Å; I94-M98 WeakPolarHBondContact O-CG 3.47Å; I94-M98 PolarHBondContact O-N 3.01Å; N95-M98 WeakPolarHBondContact O-CB 3.37Å; N95-M98 PolarHBondContact O-N 3.42Å; N95-M98 VanDerWaalsContact O-N 3.14Å; Y96-M98 VanDerWaalsContact C-N 3.33Å; Y96-M98 PolarHBondContact O-N 3.42Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 3.08Å; M98-F101 PolarHBondContact O-N 2.83Å; M98-D102 VanDerWaalsContact O-CB 3.25Å; M98-D102 WeakPolarHBondContact O-CB 3.39Å; M98-D102 PolarHBondContact O-N 2.81Å
99I96.3Very high96.1Very high98 Ų9845.1 Ų45.150%0.50322%0.215SC..Hα-helixtrans-60.6-42.9176.7-64.4166.6000110.6N95 Y96 H97 D102 Q103N95-I99 WeakPolarHBondContact O-CG1 3.22Å; N95-I99 PolarHBondContact O-N 2.91Å; Y96-I99 PolarHBondContact O-N 2.88Å; H97-I99 VanDerWaalsContact C-N 3.35Å; I99-D102 PolarHBondContact O-N 2.81Å; I99-Q103 WeakPolarHBondContact O-CB 3.38Å; I99-Q103 PolarHBondContact O-N 3.37Å
100L97.1Very high96.1Very high9 Ų948.9 Ų48.95%0.04723%0.231CC..Hα-helixtrans-58.3-51.4176.7172.265.4000112Y96 H97 M98 D102 Q103 A104 F198 A201 Q202 L205Y96-L100 PolarHBondContact O-N 3.31Å; H97-L100 WeakPolarHBondContact O-CB 3.34Å; H97-L100 PolarHBondContact O-N 2.86Å; M98-L100 VanDerWaalsContact C-N 3.32Å; M98-L100 PolarHBondContact O-N 3.08Å; L100-D102 VanDerWaalsContact C-N 3.33Å; L100-D102 PolarHBondContact O-N 3.21Å; L100-Q103 PolarHBondContact O-N 3.39Å; L100-A104 WeakPolarHBondContact O-CB 3.43Å; L100-A104 PolarHBondContact O-N 3.04Å; L100-F198 HydrophobicContact CD1-CD2 4.42Å; L100-F198 HydrophobicContact CD1-CE2 4.02Å; L100-A201 HydrophobicContact CD1-CB 3.77Å; L100-Q202 HydrophobicContact CD1-CG 3.92Å; L100-L205 HydrophobicContact CB-CD2 4.47Å; L100-L205 HydrophobicContact CD2-CD2 3.5Å; L100-L205 VanDerWaalsContact CD2-CD2 3.5Å
101F97.2Very high96Very high28 Ų2848 Ų4812%0.12323%0.225CC..Hα-helixtrans-69.9-32.6-176.8-67.8-58.4000112.7M48 I49 G52 I56 H97 M98 A104 Q105M48-F101 HydrophobicContact CG-CE1 4.45Å; I49-F101 HydrophobicContact CG1-CD1 4.43Å; G52-F101 VanDerWaalsContact CA-CE2 3.41Å; I56-F101 HydrophobicContact CD1-CD2 3.48Å; I56-F101 VanDerWaalsContact CD1-CD2 3.48Å; I56-F101 HydrophobicContact CD1-CE2 3.81Å; I56-F101 HydrophobicContact CG1-CE2 4.46Å; H97-F101 HydrophobicContact CB-CE2 4.25Å; H97-F101 WeakPolarHBondContact O-CD2 3.37Å; H97-F101 PolarHBondContact O-N 3.38Å; M98-F101 PolarHBondContact O-N 2.83Å; F101-A104 PolarHBondContact O-N 3.14Å; F101-Q105 WeakPolarHBondContact O-CB 3.4Å; F101-Q105 PolarHBondContact O-N 3.44Å
102D96.4Very high95.9Very high76 Ų7646.2 Ų46.241%0.40622%0.217SC..Hα-helixtrans-64.8-40.4172.1-178.650.3000111.3M98 I99 L100 Q105 R106M98-D102 VanDerWaalsContact O-CB 3.25Å; M98-D102 WeakPolarHBondContact O-CB 3.39Å; M98-D102 PolarHBondContact O-N 2.81Å; I99-D102 PolarHBondContact O-N 2.81Å; L100-D102 VanDerWaalsContact C-N 3.33Å; L100-D102 PolarHBondContact O-N 3.21Å; D102-Q105 WeakPolarHBondContact O-CB 3.39Å; D102-Q105 PolarHBondContact O-N 2.87Å; D102-R106 PolarHBondContact O-N 2.95Å; D102-R106 VanDerWaalsContact O-N 3.1Å; D102-R106 IonicContact OD1-CZ 2.66Å; D102-R106 IonicContact OD1-NH1 3.28Å; D102-R106 PolarHBondContact OD1-NH1 3.48Å; D102-R106 VanDerWaalsContact OD1-NH1 3.11Å; D102-R106 IonicContact OD2-CZ 2.89Å; D102-R106 IonicContact OD2-NH1 3.33Å; D102-R106 PolarHBondContact OD2-NH1 2.92Å; D102-R106 IonicContact OD2-NH2 2.58Å; D102-R106 PolarHBondContact OD2-NH2 3.22Å
103Q96Very high95.8Very high52 Ų5245.8 Ų45.824%0.24322%0.215CC..Hα-helixtrans-69.2-40174.1-167.357.12400112.5I99 L100 Q105 R106 S107 A201I99-Q103 WeakPolarHBondContact O-CB 3.38Å; I99-Q103 PolarHBondContact O-N 3.37Å; L100-Q103 PolarHBondContact O-N 3.39Å; Q103-Q105 VanDerWaalsContact C-N 3.29Å; Q103-Q105 PolarHBondContact O-N 2.93Å; Q103-R106 PolarHBondContact O-N 3.24Å; Q103-R106 VanDerWaalsContact OE1-NH2 3.07Å; Q103-S107 PolarHBondContact O-N 2.94Å; Q103-S107 PolarHBondContact O-OG 3.13Å; Q103-A201 HydrophobicContact CB-CB 3.84Å; Q103-A201 HydrophobicContact CG-CB 3.7Å
104A95.9Very high95.7Very high0 Ų046.7 Ų46.70%022%0.22CC..Hα-helixtrans-60.5-38.9174.200000112.2M48 I49 L100 F101 V108 K109 F198M48-A104 HydrophobicContact CE-CB 4.03Å; I49-A104 HydrophobicContact CD1-CB 4.24Å; I49-A104 HydrophobicContact CG1-CB 4.24Å; L100-A104 WeakPolarHBondContact O-CB 3.43Å; L100-A104 PolarHBondContact O-N 3.04Å; F101-A104 PolarHBondContact O-N 3.14Å; A104-V108 WeakPolarHBondContact O-CB 3.33Å; A104-V108 PolarHBondContact O-N 3.08Å; A104-K109 PolarHBondContact O-N 3.35Å; A104-F198 HydrophobicContact CB-CD2 3.73Å; A104-F198 HydrophobicContact CB-CE2 3.61Å
105Q96.9Very high95.6Very high57 Ų5746.7 Ų46.727%0.26622%0.22SC..Iπ-helixtrans-62.3-44.5174.7176.179.3-0.300111.2I49 F101 D102 Q103 K109 Q110I49-Q105 HydrophobicContact CD1-CB 3.93Å; F101-Q105 WeakPolarHBondContact O-CB 3.4Å; F101-Q105 PolarHBondContact O-N 3.44Å; D102-Q105 WeakPolarHBondContact O-CB 3.39Å; D102-Q105 PolarHBondContact O-N 2.87Å; Q103-Q105 VanDerWaalsContact C-N 3.29Å; Q103-Q105 PolarHBondContact O-N 2.93Å; Q105-K109 WeakPolarHBondContact O-CB 3.21Å; Q105-Q110 PolarHBondContact O-N 3.16Å
106R96.1Very high95.4Very high121 Ų12144.8 Ų44.846%0.45721%0.21SC..Iπ-helixtrans-71.5-53.9178.7-74.4-168.9-72-92.8-5.4112.9D102 Q103 Q110 Q111D102-R106 PolarHBondContact O-N 2.95Å; D102-R106 VanDerWaalsContact O-N 3.1Å; D102-R106 IonicContact OD1-CZ 2.66Å; D102-R106 IonicContact OD1-NH1 3.28Å; D102-R106 PolarHBondContact OD1-NH1 3.48Å; D102-R106 VanDerWaalsContact OD1-NH1 3.11Å; D102-R106 IonicContact OD2-CZ 2.89Å; D102-R106 IonicContact OD2-NH1 3.33Å; D102-R106 PolarHBondContact OD2-NH1 2.92Å; D102-R106 IonicContact OD2-NH2 2.58Å; D102-R106 PolarHBondContact OD2-NH2 3.22Å; Q103-R106 PolarHBondContact O-N 3.24Å; Q103-R106 VanDerWaalsContact OE1-NH2 3.07Å; R106-Q110 WeakPolarHBondContact O-CB 3.39Å; R106-Q111 PolarHBondContact O-N 3.49Å
107S94.6Very high95.2Very high4 Ų447.2 Ų47.23%0.02822%0.221CC..Iπ-helixtrans-80.7-37.1-169.374.70000113.2Q103 Q111 A194Q103-S107 PolarHBondContact O-N 2.94Å; Q103-S107 PolarHBondContact O-OG 3.13Å; S107-Q111 VanDerWaalsContact O-CB 3.24Å; S107-Q111 WeakPolarHBondContact O-CB 3.43Å; S107-Q111 PolarHBondContact O-OE1 3.44Å; S107-A194 WeakPolarHBondContact O-CB 3.05Å; S107-A194 PolarHBondContact OG-O 3.5Å
108V93.6Very high95Very high5 Ų551.5 Ų51.53%0.0324%0.242CC..Iπ-helixtrans-96.2-53.5-177.4-176.30000110.4L41 C45 A104 L112 M195 F198L41-V108 HydrophobicContact CG-CG1 4.46Å; C45-V108 HydrophobicContact CB-CB 4.4Å; C45-V108 HydrophobicContact CB-CG1 3.75Å; A104-V108 WeakPolarHBondContact O-CB 3.33Å; A104-V108 PolarHBondContact O-N 3.08Å; V108-L112 HydrophobicContact CG1-CD1 3.96Å; V108-L112 VanDerWaalsContact O-CB 3.22Å; V108-L112 WeakPolarHBondContact O-CB 2.92Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.13Å; V108-L112 PolarHBondContact O-N 3.42Å; V108-M195 HydrophobicContact CB-CE 4.35Å; V108-M195 HydrophobicContact CG1-CE 3.91Å; V108-M195 HydrophobicContact CG2-CE 3.7Å; V108-F198 HydrophobicContact CG2-CB 3.85Å; V108-F198 HydrophobicContact CG2-CD2 4.42Å; V108-F198 HydrophobicContact CG2-CG 4.05Å
109K92.7Very high94.8Very high58 Ų5849 Ų4925%0.25223%0.23SC..Iπ-helixtrans-71.3-55.1-175.2-172.1-169.4-176.7154.10111.3V42 S46 A104 Q105 H113V42-K109 HydrophobicContact CG1-CG 3.94Å; S46-K109 WeakPolarHBondContact OG-CD 3.1Å; S46-K109 WeakPolarHBondContact OG-CE 3.38Å; S46-K109 PolarHBondContact OG-NZ 3.03Å; A104-K109 PolarHBondContact O-N 3.35Å; Q105-K109 WeakPolarHBondContact O-CB 3.21Å; K109-H113 WeakPolarHBondContact O-CB 3.4Å; K109-H113 PolarHBondContact O-N 3.24Å; K109-H113 VanDerWaalsContact O-N 3.13Å
110Q94.8Very high94.6Very high93 Ų9344.3 Ų44.344%0.43521%0.206SC..Iπ-helixtrans-72.3-50.3-173.6-170.467.544.200112.5Q105 R106 H113 N114Q105-Q110 PolarHBondContact O-N 3.16Å; R106-Q110 WeakPolarHBondContact O-CB 3.39Å; Q110-H113 PolarHBondContact O-N 2.95Å; Q110-N114 PolarHBondContact NE2-ND2 3.28Å; Q110-N114 PolarHBondContact NE2-OD1 2.88Å; Q110-N114 VanDerWaalsContact O-CB 3.32Å; Q110-N114 WeakPolarHBondContact O-CB 3.31Å; Q110-N114 PolarHBondContact O-N 3.38Å; Q110-N114 PolarHBondContact O-OD1 2.92Å
111Q94.6Very high94.3Very high38 Ų3849.9 Ų49.918%0.17823%0.226CC..Hα-helixtrans-62.7-49.9-176.7-170.2173.3-3.500112.4R106 S107 H113 N114 F115 E190 D193R106-Q111 PolarHBondContact O-N 3.49Å; S107-Q111 VanDerWaalsContact O-CB 3.24Å; S107-Q111 WeakPolarHBondContact O-CB 3.43Å; S107-Q111 PolarHBondContact O-OE1 3.44Å; Q111-H113 PolarHBondContact O-N 2.99Å; Q111-N114 PolarHBondContact O-N 3.5Å; Q111-F115 PolarHBondContact O-N 2.88Å; Q111-E190 WeakPolarHBondContact CG-OE2 3.33Å; Q111-E190 PolarHBondContact NE2-OE2 3.03Å; Q111-D193 PolarHBondContact NE2-OD2 2.85Å
112L94.5Very high94.1Very high0 Ų053.8 Ų53.80%024%0.243CC..Hα-helixtrans-68.9-36.4179.3-56.9-180000112.1L38 L41 V42 V108 N114 F115 V116 I191 A194 M195L38-L112 HydrophobicContact CD2-CD1 4.2Å; L38-L112 HydrophobicContact CD2-CD2 4.28Å; L41-L112 HydrophobicContact CD2-CD1 3.85Å; L41-L112 HydrophobicContact CG-CD1 4.49Å; V42-L112 HydrophobicContact CG2-CB 3.82Å; V108-L112 HydrophobicContact CG1-CD1 3.96Å; V108-L112 VanDerWaalsContact O-CB 3.22Å; V108-L112 WeakPolarHBondContact O-CB 2.92Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.13Å; V108-L112 PolarHBondContact O-N 3.42Å; L112-N114 VanDerWaalsContact C-N 3.34Å; L112-F115 PolarHBondContact O-N 3.25Å; L112-V116 WeakPolarHBondContact O-CG2 3.4Å; L112-V116 PolarHBondContact O-N 2.97Å; L112-I191 HydrophobicContact CD2-CG1 4.32Å; L112-A194 HydrophobicContact CD1-CB 4.43Å; L112-A194 HydrophobicContact CD2-CB 3.74Å; L112-A194 HydrophobicContact CG-CB 3.99Å; L112-M195 HydrophobicContact CD1-CE 4.16Å
113H94.3Very high93.9Very high72 Ų7250.5 Ų50.533%0.33323%0.225SC..Hα-helixtrans-63.4-41.2173.9-17867.9000111.6V42 K109 Q110 Q111 V116 K117V42-H113 HydrophobicContact CG1-CB 4.34Å; K109-H113 WeakPolarHBondContact O-CB 3.4Å; K109-H113 PolarHBondContact O-N 3.24Å; K109-H113 VanDerWaalsContact O-N 3.13Å; Q110-H113 PolarHBondContact O-N 2.95Å; Q111-H113 PolarHBondContact O-N 2.99Å; H113-V116 PolarHBondContact O-N 3.47Å; H113-K117 WeakPolarHBondContact O-CB 3.49Å; H113-K117 PolarHBondContact O-N 3.48Å
114N94.4Very high93.7Very high55 Ų5552.1 Ų52.129%0.29423%0.231SC..Hα-helixtrans-63.3-44.4176-74.2-4.9000111.3Q110 Q111 L112 V116 K117 E118Q110-N114 PolarHBondContact NE2-ND2 3.28Å; Q110-N114 PolarHBondContact NE2-OD1 2.88Å; Q110-N114 VanDerWaalsContact O-CB 3.32Å; Q110-N114 WeakPolarHBondContact O-CB 3.31Å; Q110-N114 PolarHBondContact O-N 3.38Å; Q110-N114 PolarHBondContact O-OD1 2.92Å; Q111-N114 PolarHBondContact O-N 3.5Å; L112-N114 VanDerWaalsContact C-N 3.34Å; N114-V116 VanDerWaalsContact C-N 3.34Å; N114-V116 PolarHBondContact O-N 3.3Å; N114-K117 PolarHBondContact O-N 3.5Å; N114-E118 WeakPolarHBondContact O-CB 3.36Å; N114-E118 PolarHBondContact O-N 3.43Å
115F94.3Very high93.6Very high4 Ų457.1 Ų57.12%0.01826%0.255CS..Iπ-helixtrans-57.4-45.2175.3176.6-104.4000112.2L38 Q111 L112 D119 V120 L183 K186 K187 E190L38-F115 HydrophobicContact CD1-CD1 3.76Å; L38-F115 HydrophobicContact CD1-CE1 3.88Å; Q111-F115 PolarHBondContact O-N 2.88Å; L112-F115 PolarHBondContact O-N 3.25Å; F115-D119 HydrophobicContact CD2-CB 3.88Å; F115-D119 WeakPolarHBondContact CD2-OD2 3.21Å; F115-D119 HydrophobicContact CE2-CB 3.95Å; F115-D119 WeakPolarHBondContact O-CB 3.42Å; F115-D119 PolarHBondContact O-N 3.03Å; F115-D119 VanDerWaalsContact O-N 3.08Å; F115-V120 HydrophobicContact CD1-CG2 4.45Å; F115-V120 HydrophobicContact CE1-CG2 4.1Å; F115-V120 PolarHBondContact O-N 3.04Å; F115-V120 VanDerWaalsContact O-N 3.14Å; F115-L183 HydrophobicContact CE2-CD1 3.82Å; F115-L183 HydrophobicContact CZ-CD1 3.59Å; F115-K186 HydrophobicContact CE2-CB 3.91Å; F115-K187 HydrophobicContact CZ-CB 4.08Å; F115-E190 HydrophobicContact CD2-CB 4.33Å; F115-E190 HydrophobicContact CD2-CG 3.96Å; F115-E190 HydrophobicContact CE2-CG 4.48Å
116V93.2Very high93.4Very high11 Ų1155.9 Ų55.97%0.06725%0.251CS..Iπ-helixtrans-66.2-45175.6172.50000111.4E35 L38 L112 H113 N114 V120 R121E35-V116 HydrophobicContact CG-CG1 3.99Å; L38-V116 HydrophobicContact CB-CG2 3.8Å; L38-V116 HydrophobicContact CD1-CG2 4.01Å; L112-V116 WeakPolarHBondContact O-CG2 3.4Å; L112-V116 PolarHBondContact O-N 2.97Å; H113-V116 PolarHBondContact O-N 3.47Å; N114-V116 VanDerWaalsContact C-N 3.34Å; N114-V116 PolarHBondContact O-N 3.3Å; V116-V120 WeakPolarHBondContact O-CB 3.49Å; V116-R121 PolarHBondContact O-N 3.39Å
117K93.2Very high93.1Very high92 Ų9252.7 Ų52.740%0.424%0.241SC..Iπ-helixtrans-72.6-33.6-173.4-170.9-179.4178.2-176.10113.2H113 N114 R121H113-K117 WeakPolarHBondContact O-CB 3.49Å; H113-K117 PolarHBondContact O-N 3.48Å; N114-K117 PolarHBondContact O-N 3.5Å; K117-R121 WeakPolarHBondContact O-CB 3.17Å; K117-R121 WeakPolarHBondContact O-CD 3.46Å; K117-R121 PolarHBondContact O-NE 3.39Å; K117-R121 VanDerWaalsContact O-NE 3.13Å
118E92.6Very high93Very high127 Ų12759 Ų5959%0.59327%0.267SS*.Iπ-helixtrans-103.4-59.6-174.6-59.6-167167.300111.7N114 K122N114-E118 WeakPolarHBondContact O-CB 3.36Å; N114-E118 PolarHBondContact O-N 3.43Å; E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 PolarHBondContact O-N 3.28Å
119D91.9Very high92.9Very high28 Ų2863.2 Ų63.215%0.1529%0.287CS..Iπ-helixtrans-73.7-47.7-172.9-68.2-63.9000112.1F115 K122 F123 L183 K186F115-D119 HydrophobicContact CD2-CB 3.88Å; F115-D119 WeakPolarHBondContact CD2-OD2 3.21Å; F115-D119 HydrophobicContact CE2-CB 3.95Å; F115-D119 WeakPolarHBondContact O-CB 3.42Å; F115-D119 PolarHBondContact O-N 3.03Å; F115-D119 VanDerWaalsContact O-N 3.08Å; D119-K122 PolarHBondContact O-N 2.87Å; D119-F123 PolarHBondContact O-N 2.73Å; D119-F123 VanDerWaalsContact O-N 3.08Å; D119-L183 HydrophobicContact CB-CD1 3.92Å; D119-K186 WeakPolarHBondContact OD1-CD 3.22Å; D119-K186 IonicContact OD1-NZ 3.79Å; D119-K186 PolarHBondContact OD1-NZ 3.13Å; D119-K186 IonicContact OD2-NZ 2.96Å; D119-K186 PolarHBondContact OD2-NZ 3.11Å
120V92.3Very high92.7Very high0 Ų061.3 Ų61.30%028%0.278CS..Iπ-helixtrans-67.6-38.8178.7178.60000111V31 E35 F115 V116 F123 K124 L183V31-V120 HydrophobicContact CG1-CG1 4.04Å; E35-V120 HydrophobicContact CB-CG1 4.27Å; E35-V120 HydrophobicContact CG-CG1 4.25Å; F115-V120 HydrophobicContact CD1-CG2 4.45Å; F115-V120 HydrophobicContact CE1-CG2 4.1Å; F115-V120 PolarHBondContact O-N 3.04Å; F115-V120 VanDerWaalsContact O-N 3.14Å; V116-V120 WeakPolarHBondContact O-CB 3.49Å; V120-F123 WeakPolarHBondContact O-CB 3.27Å; V120-F123 PolarHBondContact O-N 3.18Å; V120-K124 WeakPolarHBondContact O-CG 3.47Å; V120-K124 PolarHBondContact O-N 3.23Å; V120-L183 HydrophobicContact CG2-CD1 4.11Å
121R91.5Very high92.4Very high127 Ų12759.1 Ų59.148%0.47927%0.27SS..Hα-helixtrans-61-47.2175-176.6-178.2-65.1177.8-3.9112V116 K117 F123 K124 E125V116-R121 PolarHBondContact O-N 3.39Å; K117-R121 WeakPolarHBondContact O-CB 3.17Å; K117-R121 WeakPolarHBondContact O-CD 3.46Å; K117-R121 PolarHBondContact O-NE 3.39Å; K117-R121 VanDerWaalsContact O-NE 3.13Å; R121-F123 VanDerWaalsContact C-N 3.29Å; R121-F123 PolarHBondContact O-N 2.81Å; R121-K124 WeakPolarHBondContact O-CB 3.29Å; R121-K124 PolarHBondContact O-N 2.98Å; R121-K124 VanDerWaalsContact O-N 3.12Å; R121-E125 WeakPolarHBondContact O-CG 3.37Å; R121-E125 PolarHBondContact O-N 3.39Å
122K92.2Very high92.3Very high109 Ų10963.5 Ų63.547%0.47429%0.285SS..Hα-helixtrans-61.1-39.1178.5-174.7176.2-178.2175.40112.1E118 D119 E125 T126E118-K122 WeakPolarHBondContact O-CB 3.43Å; E118-K122 PolarHBondContact O-N 3.28Å; D119-K122 PolarHBondContact O-N 2.87Å; K122-E125 PolarHBondContact O-N 3.47Å; K122-T126 WeakPolarHBondContact O-CB 3.26Å; K122-T126 PolarHBondContact O-N 3.29Å; K122-T126 PolarHBondContact O-OG1 3.26Å
123F92.7Very high92Very high7 Ų764.7 Ų64.73%0.03129%0.292CS..Hα-helixtrans-60-48.7171.7164.7-99.3000111.9E28 V31 D119 V120 R121 E125 T126 K127 Y176 I180 L183E28-F123 HydrophobicContact CG-CZ 4.1Å; V31-F123 HydrophobicContact CB-CE1 4.07Å; V31-F123 HydrophobicContact CG1-CD1 3.74Å; V31-F123 HydrophobicContact CG1-CE1 3.69Å; V31-F123 HydrophobicContact CG2-CE1 4.3Å; D119-F123 PolarHBondContact O-N 2.73Å; D119-F123 VanDerWaalsContact O-N 3.08Å; V120-F123 WeakPolarHBondContact O-CB 3.27Å; V120-F123 PolarHBondContact O-N 3.18Å; R121-F123 VanDerWaalsContact C-N 3.29Å; R121-F123 PolarHBondContact O-N 2.81Å; F123-E125 PolarHBondContact O-N 2.88Å; F123-T126 PolarHBondContact O-N 3.07Å; F123-K127 WeakPolarHBondContact O-CB 3.48Å; F123-K127 PolarHBondContact O-N 2.92Å; F123-Y176 AromaticContact CD2-CE2 3.93Å; F123-Y176 HydrophobicContact CD2-CE2 3.93Å; F123-Y176 HydrophobicContact CE2-CD2 4.32Å; F123-Y176 AromaticContact CE2-CE2 3.34Å; F123-Y176 HydrophobicContact CE2-CE2 3.34Å; F123-Y176 AromaticContact CE2-CZ 3.85Å; F123-Y176 AromaticContact CZ-CE2 4Å; F123-Y176 HydrophobicContact CZ-CE2 4Å; F123-Y176 WeakPolarHBondContact CZ-OH 3.46Å; F123-I180 HydrophobicContact CD2-CG1 4.14Å; F123-I180 HydrophobicContact CE2-CD1 4.33Å; F123-I180 HydrophobicContact CE2-CG1 3.53Å; F123-L183 HydrophobicContact CB-CD2 3.97Å; F123-L183 HydrophobicContact CD1-CD2 4.15Å; F123-L183 HydrophobicContact CD2-CD2 4.26Å; F123-L183 HydrophobicContact CG-CD2 3.85Å
124K91.8Very high91.7Very high86 Ų8664.6 Ų64.637%0.37429%0.288SS..Hα-helixtrans-61.3-40.4178.2-75.3-179.2171.8-177.60113E35 V120 R121 K127 K128E35-K124 IonicContact OE1-NZ 3.53Å; E35-K124 PolarHBondContact OE1-NZ 2.9Å; E35-K124 WeakPolarHBondContact OE2-CE 3.29Å; E35-K124 IonicContact OE2-NZ 3.55Å; E35-K124 PolarHBondContact OE2-NZ 3.18Å; V120-K124 WeakPolarHBondContact O-CG 3.47Å; V120-K124 PolarHBondContact O-N 3.23Å; R121-K124 WeakPolarHBondContact O-CB 3.29Å; R121-K124 PolarHBondContact O-N 2.98Å; R121-K124 VanDerWaalsContact O-N 3.12Å; K124-K127 PolarHBondContact O-N 3.38Å; K124-K128 WeakPolarHBondContact O-CB 3.43Å; K124-K128 PolarHBondContact O-N 2.86Å
125E93.7Very high91.4Very high106 Ų10667.7 Ų67.750%0.49530%0.301SS..Hα-helixtrans-64-44.9175.6-74.3173-172.400111.1R121 K122 F123 K127 K128 H129R121-E125 WeakPolarHBondContact O-CG 3.37Å; R121-E125 PolarHBondContact O-N 3.39Å; K122-E125 PolarHBondContact O-N 3.47Å; F123-E125 PolarHBondContact O-N 2.88Å; E125-K127 PolarHBondContact O-N 3.26Å; E125-K128 PolarHBondContact O-N 3.43Å; E125-H129 PolarHBondContact O-N 2.96Å; E125-H129 VanDerWaalsContact O-N 3.17Å; E125-H129 PolarHBondContact O-ND1 2.97Å
126T91.8Very high91.2Very high30 Ų3071.1 Ų71.118%0.18432%0.32CS..Hα-helixtrans-63.6-42.5177.5-530000111.2K122 F123 K128 H129 F130 D175 Y176 Q179K122-T126 WeakPolarHBondContact O-CB 3.26Å; K122-T126 PolarHBondContact O-N 3.29Å; K122-T126 PolarHBondContact O-OG1 3.26Å; F123-T126 PolarHBondContact O-N 3.07Å; T126-K128 PolarHBondContact O-N 3.28Å; T126-H129 PolarHBondContact O-N 3.41Å; T126-F130 WeakPolarHBondContact O-CB 3.19Å; T126-F130 PolarHBondContact O-N 3.4Å; T126-D175 HydrophobicContact CG2-CB 4.46Å; T126-Y176 HydrophobicContact CG2-CD2 4.18Å; T126-Q179 HydrophobicContact CG2-CG 3.96Å
127K89.9Confident91Very high55 Ų5571.4 Ų71.424%0.23932%0.321CS..Hα-helixtrans-55.9-50173.6-178-176.3175.1-178.90111.4E28 F123 K124 E125 H129 F130 D131 Y176E28-K127 VanDerWaalsContact CD-NZ 3.3Å; E28-K127 HydrophobicContact CG-CD 4.41Å; E28-K127 WeakPolarHBondContact OE1-CE 3.48Å; E28-K127 IonicContact OE1-NZ 3.75Å; E28-K127 WeakPolarHBondContact OE2-CE 3.31Å; E28-K127 IonicContact OE2-NZ 3.02Å; E28-K127 PolarHBondContact OE2-NZ 3.26Å; F123-K127 WeakPolarHBondContact O-CB 3.48Å; F123-K127 PolarHBondContact O-N 2.92Å; K124-K127 PolarHBondContact O-N 3.38Å; E125-K127 PolarHBondContact O-N 3.26Å; K127-H129 VanDerWaalsContact C-N 3.27Å; K127-H129 PolarHBondContact O-N 3.5Å; K127-F130 WeakPolarHBondContact O-CB 3.4Å; K127-F130 PolarHBondContact O-N 3.21Å; K127-F130 VanDerWaalsContact O-N 3.08Å; K127-D131 WeakPolarHBondContact CE-OD2 3.42Å; K127-D131 WeakPolarHBondContact CG-OD2 3.32Å; K127-D131 PolarHBondContact O-N 3.22Å; K127-Y176 HydrophobicContact CB-CD2 4.39Å; K127-Y176 HydrophobicContact CB-CE2 3.66Å; K127-Y176 HydrophobicContact CG-CE2 4.12Å
128K93.6Very high90.7Very high135 Ų13570.4 Ų70.459%0.58732%0.317SS*.Hα-helixtrans-57.2-39.5179.5-178.1179.6179.1-179.90112.5K124 E125 T126 R132K124-K128 WeakPolarHBondContact O-CB 3.43Å; K124-K128 PolarHBondContact O-N 2.86Å; E125-K128 PolarHBondContact O-N 3.43Å; T126-K128 PolarHBondContact O-N 3.28Å; K128-R132 PolarHBondContact O-N 2.91Å
129H91.8Very high90.7Very high95 Ų9568.6 Ų68.644%0.4431%0.311SS..Hα-helixtrans-71-41.2176.1-70.486000111.9E125 T126 K127 R132 V133 L172E125-H129 PolarHBondContact O-N 2.96Å; E125-H129 VanDerWaalsContact O-N 3.17Å; E125-H129 PolarHBondContact O-ND1 2.97Å; T126-H129 PolarHBondContact O-N 3.41Å; K127-H129 VanDerWaalsContact C-N 3.27Å; K127-H129 PolarHBondContact O-N 3.5Å; H129-R132 PolarHBondContact O-N 3.44Å; H129-V133 WeakPolarHBondContact O-CG2 3.47Å; H129-V133 PolarHBondContact O-N 2.81Å; H129-V133 VanDerWaalsContact O-N 3.07Å; H129-L172 HydrophobicContact CB-CD2 3.66Å
130F88.2Confident90.6Very high17 Ų1767.7 Ų67.78%0.07531%0.307CS..Hα-helixtrans-59.8-47.2175.5169.8-99.7000112T126 K127 R132 V133 R134 F169 A173 Y176T126-F130 WeakPolarHBondContact O-CB 3.19Å; T126-F130 PolarHBondContact O-N 3.4Å; K127-F130 WeakPolarHBondContact O-CB 3.4Å; K127-F130 PolarHBondContact O-N 3.21Å; K127-F130 VanDerWaalsContact O-N 3.08Å; F130-R132 PolarHBondContact O-N 3.08Å; F130-V133 PolarHBondContact O-N 3.33Å; F130-R134 WeakPolarHBondContact O-CB 3.36Å; F130-R134 PolarHBondContact O-N 3.04Å; F130-F169 HydrophobicContact CD2-CE2 4.38Å; F130-F169 HydrophobicContact CE2-CD2 4.26Å; F130-F169 AromaticContact CE2-CE2 3.52Å; F130-F169 HydrophobicContact CE2-CE2 3.52Å; F130-F169 AromaticContact CE2-CZ 3.96Å; F130-F169 HydrophobicContact CE2-CZ 3.96Å; F130-F169 AromaticContact CZ-CE2 3.9Å; F130-F169 HydrophobicContact CZ-CE2 3.9Å; F130-F169 HydrophobicContact CZ-CZ 4.23Å; F130-A173 HydrophobicContact CD2-CB 4.14Å; F130-A173 HydrophobicContact CE2-CB 3.71Å; F130-Y176 HydrophobicContact CB-CD1 4.37Å; F130-Y176 HydrophobicContact CB-CG 4.22Å; F130-Y176 AromaticContact CD1-CD1 3.71Å; F130-Y176 HydrophobicContact CD1-CD1 3.71Å; F130-Y176 AromaticContact CD1-CE1 3.93Å; F130-Y176 HydrophobicContact CD1-CE1 3.93Å; F130-Y176 HydrophobicContact CD1-CG 4.39Å; F130-Y176 HydrophobicContact CD2-CD1 4.25Å; F130-Y176 HydrophobicContact CE1-CD1 4Å; F130-Y176 HydrophobicContact CE1-CE1 4.14Å; F130-Y176 AromaticContact CG-CD1 3.83Å; F130-Y176 HydrophobicContact CG-CD1 3.83Å; F130-Y176 HydrophobicContact CG-CE1 4.49Å; F130-Y176 HydrophobicContact CG-CG 4.13Å; F130-Y176 HydrophobicContact CZ-CD1 4.4Å
131D87.3Confident90.4Very high47 Ų4771.6 Ų71.625%0.25133%0.325SS..Hα-helixtrans-62.1-42.5179.1-71.3-27000111.6K127 R134 E135K127-D131 WeakPolarHBondContact CE-OD2 3.42Å; K127-D131 WeakPolarHBondContact CG-OD2 3.32Å; K127-D131 PolarHBondContact O-N 3.22Å; D131-R134 WeakPolarHBondContact O-CB 3.35Å; D131-R134 PolarHBondContact O-N 3.18Å; D131-E135 WeakPolarHBondContact O-CG 3.42Å; D131-E135 PolarHBondContact O-N 2.87Å
132R92.8Very high90.4Very high131 Ų13169.2 Ų69.249%0.49433%0.325SS..Hα-helixtrans-60.1-50.1175.5-176.5-175.5-66.3165.9-4.7112.2K128 H129 F130 R134 E135 D136K128-R132 PolarHBondContact O-N 2.91Å; H129-R132 PolarHBondContact O-N 3.44Å; F130-R132 PolarHBondContact O-N 3.08Å; R132-R134 PolarHBondContact O-N 2.91Å; R132-E135 PolarHBondContact O-N 2.99Å; R132-D136 PolarHBondContact O-N 3.25Å
133V89.3Confident90.4Very high24 Ų2470.5 Ų70.515%0.14533%0.33CS..Hα-helixtrans-67.8-29.4-179174.40000111.3H129 F130 M137 C168 F169 L172H129-V133 WeakPolarHBondContact O-CG2 3.47Å; H129-V133 PolarHBondContact O-N 2.81Å; H129-V133 VanDerWaalsContact O-N 3.07Å; F130-V133 PolarHBondContact O-N 3.33Å; V133-M137 WeakPolarHBondContact O-CB 3.46Å; V133-M137 PolarHBondContact O-N 2.88Å; V133-C168 HydrophobicContact CG1-CB 4.01Å; V133-F169 HydrophobicContact CG1-CB 4Å; V133-L172 HydrophobicContact CB-CD2 4.41Å; V133-L172 HydrophobicContact CG2-CD1 4.26Å; V133-L172 HydrophobicContact CG2-CD2 3.81Å
134R86.4Confident90.4Very high70 Ų7072.2 Ų72.226%0.26434%0.34SS..Hα-helixtrans-63.4-49.6171.4177.2-172.9166.6-171.8-7.3111.2F130 D131 R132 D136 M137 E138 F169F130-R134 WeakPolarHBondContact O-CB 3.36Å; F130-R134 PolarHBondContact O-N 3.04Å; D131-R134 WeakPolarHBondContact O-CB 3.35Å; D131-R134 PolarHBondContact O-N 3.18Å; R132-R134 PolarHBondContact O-N 2.91Å; R134-D136 VanDerWaalsContact C-N 3.34Å; R134-D136 PolarHBondContact O-N 3.18Å; R134-M137 PolarHBondContact O-N 3.39Å; R134-E138 IonicContact CZ-OE1 3.86Å; R134-E138 IonicContact NE-OE1 2.73Å; R134-E138 PolarHBondContact NE-OE1 3.39Å; R134-E138 IonicContact NH2-OE1 2.87Å; R134-E138 WeakPolarHBondContact O-CG 3.38Å; R134-E138 PolarHBondContact O-N 2.9Å; R134-F169 HydrophobicContact CB-CD2 4.19Å; R134-F169 HydrophobicContact CB-CE2 3.94Å; R134-F169 HydrophobicContact CG-CE2 4.16Å
135E89.7Confident90.3Very high120 Ų12072.1 Ų72.156%0.56136%0.355SS*.Hα-helixtrans-58.4-45.7176.1-72.2172.9-173.700111.2D131 R132 M137 E138 I139D131-E135 WeakPolarHBondContact O-CG 3.42Å; D131-E135 PolarHBondContact O-N 2.87Å; R132-E135 PolarHBondContact O-N 2.99Å; E135-M137 VanDerWaalsContact C-N 3.32Å; E135-M137 PolarHBondContact O-N 2.84Å; E135-E138 PolarHBondContact O-N 3.35Å; E135-I139 VanDerWaalsContact O-CG1 3.3Å; E135-I139 WeakPolarHBondContact O-CG1 3.45Å; E135-I139 PolarHBondContact O-N 3.42Å
136D90.4Very high90.3Very high77 Ų7774.1 Ų74.141%0.41236%0.364SS..Hα-helixtrans-59.6-40.6176.9-70-27.2000112.2R132 R134 A140R132-D136 PolarHBondContact O-N 3.25Å; R134-D136 VanDerWaalsContact C-N 3.34Å; R134-D136 PolarHBondContact O-N 3.18Å; D136-A140 WeakPolarHBondContact O-CB 3.24Å; D136-A140 PolarHBondContact O-N 3.41Å
137M88.5Confident90.2Very high17 Ų1773.8 Ų73.88%0.08436%0.364CS..Hα-helixtrans-67.1-42.5176.3-175.3-169.867.300111.8V133 R134 E135 I139 A140 Q141 F169V133-M137 WeakPolarHBondContact O-CB 3.46Å; V133-M137 PolarHBondContact O-N 2.88Å; R134-M137 PolarHBondContact O-N 3.39Å; E135-M137 VanDerWaalsContact C-N 3.32Å; E135-M137 PolarHBondContact O-N 2.84Å; M137-I139 VanDerWaalsContact C-N 3.34Å; M137-A140 PolarHBondContact O-N 3.5Å; M137-Q141 WeakPolarHBondContact O-CB 3.47Å; M137-Q141 WeakPolarHBondContact O-CG 3.4Å; M137-Q141 PolarHBondContact O-N 3.32Å; M137-F169 HydrophobicContact CE-CD1 4.05Å; M137-F169 HydrophobicContact CE-CD2 4.09Å; M137-F169 HydrophobicContact CE-CE1 4.16Å; M137-F169 HydrophobicContact CE-CE2 4.2Å; M137-F169 HydrophobicContact CE-CG 4.02Å; M137-F169 HydrophobicContact CE-CZ 4.23Å; M137-F169 HydrophobicContact SD-CB 3.75Å; M137-F169 HydrophobicContact SD-CD1 3.67Å; M137-F169 HydrophobicContact SD-CD2 4.19Å; M137-F169 HydrophobicContact SD-CE1 4.34Å; M137-F169 HydrophobicContact SD-CG 3.58Å; M137-F169 VanDerWaalsContact SD-CG 3.58Å
138E86.5Confident90.1Very high70 Ų7073.6 Ų73.633%0.32737%0.369SS..Hα-helixtrans-62.8-41.6177-72177.5-174.100110.4R21 R134 E135 Q141 V142R21-E138 IonicContact NH2-OE1 3.27Å; R134-E138 IonicContact CZ-OE1 3.86Å; R134-E138 IonicContact NE-OE1 2.73Å; R134-E138 PolarHBondContact NE-OE1 3.39Å; R134-E138 IonicContact NH2-OE1 2.87Å; R134-E138 WeakPolarHBondContact O-CG 3.38Å; R134-E138 PolarHBondContact O-N 2.9Å; E135-E138 PolarHBondContact O-N 3.35Å; E138-Q141 PolarHBondContact O-N 2.95Å; E138-V142 WeakPolarHBondContact O-CG2 3.49Å; E138-V142 PolarHBondContact O-N 3.27Å; E138-V142 VanDerWaalsContact O-N 3.11Å
139I91.6Very high89.8Confident89 Ų8978.9 Ų78.946%0.45639%0.385SS..Hα-helixtrans-62.4-46.4173.3-66.5164.9000111.3E135 M137 Q141 V142 K143E135-I139 VanDerWaalsContact O-CG1 3.3Å; E135-I139 WeakPolarHBondContact O-CG1 3.45Å; E135-I139 PolarHBondContact O-N 3.42Å; M137-I139 VanDerWaalsContact C-N 3.34Å; I139-Q141 VanDerWaalsContact C-N 3.31Å; I139-Q141 PolarHBondContact O-N 3.06Å; I139-V142 PolarHBondContact O-N 2.89Å; I139-K143 HydrophobicContact CG2-CD 4.2Å; I139-K143 WeakPolarHBondContact O-CG 3.07Å; I139-K143 PolarHBondContact O-N 3.03Å
140A90.8Very high89.7Confident9 Ų980.7 Ų80.77%0.07440%0.398CS..Hα-helixtrans-64.3-35178.500000112.4D136 M137 N144 L162 T165D136-A140 WeakPolarHBondContact O-CB 3.24Å; D136-A140 PolarHBondContact O-N 3.41Å; M137-A140 PolarHBondContact O-N 3.5Å; A140-N144 WeakPolarHBondContact O-CB 3.24Å; A140-N144 PolarHBondContact O-N 3.47Å; A140-L162 HydrophobicContact CB-CD1 4.39Å; A140-T165 HydrophobicContact CB-CG2 4.22Å; A140-T165 WeakPolarHBondContact CB-OG1 3.36Å
141Q87.9Confident89.9Confident83 Ų8384.5 Ų84.539%0.38841%0.414SS..Hα-helixtrans-62.6-47173.3-85.4-179-43.100111.9M137 E138 I139 N144 A145 L162M137-Q141 WeakPolarHBondContact O-CB 3.47Å; M137-Q141 WeakPolarHBondContact O-CG 3.4Å; M137-Q141 PolarHBondContact O-N 3.32Å; E138-Q141 PolarHBondContact O-N 2.95Å; I139-Q141 VanDerWaalsContact C-N 3.31Å; I139-Q141 PolarHBondContact O-N 3.06Å; Q141-N144 PolarHBondContact O-N 3.37Å; Q141-A145 WeakPolarHBondContact O-CB 3.37Å; Q141-A145 PolarHBondContact O-N 3.39Å; Q141-L162 HydrophobicContact CB-CD1 4.32Å; Q141-L162 HydrophobicContact CG-CD1 3.45Å; Q141-L162 VanDerWaalsContact CG-CD1 3.45Å; Q141-L162 HydrophobicContact CG-CD2 4.47Å
142V92Very high89.9Confident76 Ų7687 Ų8746%0.46143%0.434SS..Hα-helixtrans-63.8-45.2178.5174.30000110.9E138 I139 N144 A145 Q146E138-V142 WeakPolarHBondContact O-CG2 3.49Å; E138-V142 PolarHBondContact O-N 3.27Å; E138-V142 VanDerWaalsContact O-N 3.11Å; I139-V142 PolarHBondContact O-N 2.89Å; V142-N144 VanDerWaalsContact C-N 3.33Å; V142-N144 PolarHBondContact O-N 3.21Å; V142-A145 PolarHBondContact O-N 3.49Å; V142-Q146 HydrophobicContact CG1-CG 4.38Å; V142-Q146 WeakPolarHBondContact O-CG 3.45Å; V142-Q146 PolarHBondContact O-N 3.46Å
143K91.9Very high89.7Confident136 Ų13687.5 Ų87.559%0.59144%0.441SS*.Hα-helixtrans-59.2-42.1176.6-74.8-178.8178.9-179.10112.3I139 A147I139-K143 HydrophobicContact CG2-CD 4.2Å; I139-K143 WeakPolarHBondContact O-CG 3.07Å; I139-K143 PolarHBondContact O-N 3.03Å; K143-A147 PolarHBondContact O-N 3.48Å
144N92.2Very high89.7Confident43 Ų4390.1 Ų90.123%0.2345%0.452CS..Hα-helixtrans-66.2-40.5176.2-175.2-106.4000112.5A140 Q141 V142 Q146 A147 A158 T159 L162A140-N144 WeakPolarHBondContact O-CB 3.24Å; A140-N144 PolarHBondContact O-N 3.47Å; Q141-N144 PolarHBondContact O-N 3.37Å; V142-N144 VanDerWaalsContact C-N 3.33Å; V142-N144 PolarHBondContact O-N 3.21Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 2.98Å; N144-A147 WeakPolarHBondContact O-CB 3.42Å; N144-A147 PolarHBondContact O-N 3.45Å; N144-A158 HydrophobicContact CB-CB 4.3Å; N144-A158 VanDerWaalsContact ND2-C 3.34Å; N144-A158 PolarHBondContact ND2-O 3.31Å; N144-T159 WeakPolarHBondContact ND2-CA 3.12Å; N144-T159 PolarHBondContact ND2-N 3.06Å; N144-T159 VanDerWaalsContact ND2-N 3.16Å; N144-T159 PolarHBondContact ND2-OG1 3.18Å; N144-L162 HydrophobicContact CB-CB 4.34Å; N144-L162 HydrophobicContact CB-CD2 3.83Å
145A90.8Very high89.9Confident84 Ų8489.1 Ų89.169%0.69445%0.453SS*.Hα-helixtrans-67.7-31.7178.800000113.3Q141 V142Q141-A145 WeakPolarHBondContact O-CB 3.37Å; Q141-A145 PolarHBondContact O-N 3.39Å; V142-A145 PolarHBondContact O-N 3.49Å
146Q92.4Very high89.9Confident149 Ų14990.2 Ų90.270%0.69646%0.458SS*.THydrogen-bonded Turntrans-89-3.6179.9-67.8177.8-8.900113.7V142 N144V142-Q146 HydrophobicContact CG1-CG 4.38Å; V142-Q146 WeakPolarHBondContact O-CG 3.45Å; V142-Q146 PolarHBondContact O-N 3.46Å; N144-Q146 VanDerWaalsContact C-N 3.33Å; N144-Q146 PolarHBondContact O-N 2.98Å
147A91Very high90Very high22 Ų2292.6 Ų92.618%0.18247%0.467CS..  trans-62.6126.4-17700000111.2K143 N144 R149 V155 A158K143-A147 PolarHBondContact O-N 3.48Å; N144-A147 WeakPolarHBondContact O-CB 3.42Å; N144-A147 PolarHBondContact O-N 3.45Å; A147-R149 PolarHBondContact O-N 3.36Å; A147-V155 HydrophobicContact CB-CB 4.49Å; A147-V155 HydrophobicContact CB-CG2 3.9Å; A147-A158 HydrophobicContact CB-CB 4.35Å
148P88.1Confident90.1Very high51 Ų5192.6 Ų92.633%0.33147%0.47SS..  trans-75.6129.3-171.230.7-35.4000111.5N150 K151P148-N150 WeakPolarHBondContact CB-OD1 3.04Å; P148-N150 PolarHBondContact O-N 3.46Å; P148-K151 HydrophobicContact CG-CB 4.36Å; P148-K151 HydrophobicContact CG-CD 4.18Å; P148-K151 HydrophobicContact CG-CG 4.46Å; P148-K151 PolarHBondContact O-N 3.1Å; P148-K151 VanDerWaalsContact O-N 3.09Å
149R86.9Confident90.4Very high247 Ų24792.5 Ų92.593%0.93247%0.474SS*.THydrogen-bonded Turntrans-60-20.1-174.4-69.5-176.8177.7172.5-0.6114.8A147 K151A147-R149 PolarHBondContact O-N 3.36Å; R149-K151 VanDerWaalsContact C-N 3.32Å
150N89.6Confident90.4Very high132 Ų13291.4 Ų91.471%0.70647%0.474SS*.THydrogen-bonded Turntrans-83.2-3.8-179.762.9-11.6000113.8P148P148-N150 WeakPolarHBondContact CB-OD1 3.04Å; P148-N150 PolarHBondContact O-N 3.46Å
151K91.8Very high90.5Very high97 Ų9793 Ų9342%0.42249%0.488SS..  trans-125.485.4179.8-65.6-174.7179.5-179.50111.3P148 R149 H153 E154 V155P148-K151 HydrophobicContact CG-CB 4.36Å; P148-K151 HydrophobicContact CG-CD 4.18Å; P148-K151 HydrophobicContact CG-CG 4.46Å; P148-K151 PolarHBondContact O-N 3.1Å; P148-K151 VanDerWaalsContact O-N 3.09Å; R149-K151 VanDerWaalsContact C-N 3.32Å; K151-H153 VanDerWaalsContact C-N 3.3Å; K151-H153 PolarHBondContact O-N 3.2Å; K151-E154 HydrophobicContact CB-CB 4.23Å; K151-E154 HydrophobicContact CB-CG 4.3Å; K151-E154 HydrophobicContact CD-CG 4.23Å; K151-E154 WeakPolarHBondContact CD-OE1 3.32Å; K151-E154 VanDerWaalsContact CD-OE2 3.25Å; K151-E154 WeakPolarHBondContact CD-OE2 3.48Å; K151-E154 IonicContact NZ-OE1 2.72Å; K151-E154 PolarHBondContact NZ-OE1 3.25Å; K151-E154 IonicContact NZ-OE2 3.45Å; K151-E154 PolarHBondContact NZ-OE2 2.91Å; K151-E154 PolarHBondContact O-N 3.45Å; K151-V155 PolarHBondContact O-N 2.87Å
152P87.4Confident90.6Very high101 Ų10189.7 Ų89.766%0.65647%0.473SS*.Hα-helixtrans-61.4-33.9-172.622.5-32.5000113.7V155 E156P152-V155 PolarHBondContact O-N 2.85Å; P152-E156 PolarHBondContact O-N 3.02Å
153H88.1Confident90.6Very high140 Ų14088.7 Ų88.765%0.64847%0.469SS*.Hα-helixtrans-63.5-43177.4-178.3-77.7000112.9K151 V155 E156 E157K151-H153 VanDerWaalsContact C-N 3.3Å; K151-H153 PolarHBondContact O-N 3.2Å; H153-V155 VanDerWaalsContact C-N 3.32Å; H153-V155 PolarHBondContact O-N 3.38Å; H153-E156 PolarHBondContact O-N 3.23Å; H153-E157 PolarHBondContact O-N 3.03Å
154E89.6Confident90.5Very high80 Ų8086.9 Ų86.937%0.37447%0.465SS..Hα-helixtrans-67.5-33.8177.4-69-179.5-164.700111.5K151 A158K151-E154 HydrophobicContact CB-CB 4.23Å; K151-E154 HydrophobicContact CB-CG 4.3Å; K151-E154 HydrophobicContact CD-CG 4.23Å; K151-E154 WeakPolarHBondContact CD-OE1 3.32Å; K151-E154 VanDerWaalsContact CD-OE2 3.25Å; K151-E154 WeakPolarHBondContact CD-OE2 3.48Å; K151-E154 IonicContact NZ-OE1 2.72Å; K151-E154 PolarHBondContact NZ-OE1 3.25Å; K151-E154 IonicContact NZ-OE2 3.45Å; K151-E154 PolarHBondContact NZ-OE2 2.91Å; K151-E154 PolarHBondContact O-N 3.45Å; E154-A158 WeakPolarHBondContact O-CB 3.11Å; E154-A158 PolarHBondContact O-N 2.9Å
155V90.2Very high90.4Very high48 Ų4886.3 Ų86.329%0.29146%0.463SS..Hα-helixtrans-66.6-42.8174.3176.30000111A147 K151 P152 H153 T159A147-V155 HydrophobicContact CB-CB 4.49Å; A147-V155 HydrophobicContact CB-CG2 3.9Å; K151-V155 PolarHBondContact O-N 2.87Å; P152-V155 PolarHBondContact O-N 2.85Å; H153-V155 VanDerWaalsContact C-N 3.32Å; H153-V155 PolarHBondContact O-N 3.38Å; V155-T159 VanDerWaalsContact O-CB 3.29Å; V155-T159 WeakPolarHBondContact O-CB 3.24Å; V155-T159 PolarHBondContact O-N 3.29Å; V155-T159 PolarHBondContact O-OG1 3.44Å
156E91.3Very high90.1Very high144 Ų14487.1 Ų87.167%0.67345%0.448SS*.Hα-helixtrans-66.5-43179.1-168.7167.5-168.100111.8P152 H153 T159 S160P152-E156 PolarHBondContact O-N 3.02Å; H153-E156 PolarHBondContact O-N 3.23Å; E156-T159 PolarHBondContact O-N 3.04Å; E156-S160 WeakPolarHBondContact O-CB 3.21Å; E156-S160 PolarHBondContact O-N 3.28Å
157E91.2Very high89.8Confident126 Ų12687 Ų8759%0.58945%0.445SS*.Hα-helixtrans-60.7-48.8174.4-173-177168.200111.8H153 T159 S160 A161H153-E157 PolarHBondContact O-N 3.03Å; E157-T159 VanDerWaalsContact C-N 3.27Å; E157-T159 PolarHBondContact O-N 3.46Å; E157-S160 PolarHBondContact O-N 3.48Å; E157-A161 WeakPolarHBondContact O-CB 3.47Å; E157-A161 PolarHBondContact O-N 2.9Å
158A91.3Very high89.7Confident17 Ų1788.7 Ų88.714%0.1446%0.455CS..Hα-helixtrans-63.7-34.1177.800000112.1N144 A147 E154 L162N144-A158 HydrophobicContact CB-CB 4.3Å; N144-A158 VanDerWaalsContact ND2-C 3.34Å; N144-A158 PolarHBondContact ND2-O 3.31Å; A147-A158 HydrophobicContact CB-CB 4.35Å; E154-A158 WeakPolarHBondContact O-CB 3.11Å; E154-A158 PolarHBondContact O-N 2.9Å; A158-L162 WeakPolarHBondContact O-CB 3.35Å; A158-L162 PolarHBondContact O-N 2.98Å
159T91.4Very high89.5Confident69 Ų6987.6 Ų87.642%0.42345%0.445SS..Hα-helixtrans-71.5-40.5176.9-57.10000111.5N144 V155 E156 E157 L162 S163N144-T159 WeakPolarHBondContact ND2-CA 3.12Å; N144-T159 PolarHBondContact ND2-N 3.06Å; N144-T159 VanDerWaalsContact ND2-N 3.16Å; N144-T159 PolarHBondContact ND2-OG1 3.18Å; V155-T159 VanDerWaalsContact O-CB 3.29Å; V155-T159 WeakPolarHBondContact O-CB 3.24Å; V155-T159 PolarHBondContact O-N 3.29Å; V155-T159 PolarHBondContact O-OG1 3.44Å; E156-T159 PolarHBondContact O-N 3.04Å; E157-T159 VanDerWaalsContact C-N 3.27Å; E157-T159 PolarHBondContact O-N 3.46Å; T159-L162 PolarHBondContact O-N 3.31Å; T159-S163 WeakPolarHBondContact O-CB 3.46Å; T159-S163 PolarHBondContact O-N 2.78Å
160S93.5Very high89.3Confident65 Ų6581.5 Ų81.546%0.45542%0.422SS..Hα-helixtrans-64.2-47.7174.8-1740000111.5E156 E157 L162 S163 I164E156-S160 WeakPolarHBondContact O-CB 3.21Å; E156-S160 PolarHBondContact O-N 3.28Å; E157-S160 PolarHBondContact O-N 3.48Å; S160-L162 VanDerWaalsContact C-N 3.32Å; S160-L162 PolarHBondContact O-N 3.19Å; S160-S163 WeakPolarHBondContact O-CB 3.25Å; S160-S163 PolarHBondContact O-N 3.35Å; S160-I164 WeakPolarHBondContact O-CG1 3.46Å; S160-I164 PolarHBondContact O-N 3Å
161A92.1Very high89Confident44 Ų4480.9 Ų80.936%0.36441%0.414SS..Hα-helixtrans-58.9-4217600000112.1E157 I164 T165E157-A161 WeakPolarHBondContact O-CB 3.47Å; E157-A161 PolarHBondContact O-N 2.9Å; A161-I164 PolarHBondContact O-N 3.14Å; A161-T165 WeakPolarHBondContact O-CB 3.22Å; A161-T165 WeakPolarHBondContact O-CG2 3.49Å; A161-T165 PolarHBondContact O-N 3.22Å; A161-T165 PolarHBondContact O-OG1 2.92Å
162L91Very high88.7Confident13 Ų1378.3 Ų78.37%0.06841%0.405CS..Hα-helixtrans-64.3-39.2173.8176.358.7000112.3A140 Q141 N144 A158 T159 S160 T165 R166A140-L162 HydrophobicContact CB-CD1 4.39Å; Q141-L162 HydrophobicContact CB-CD1 4.32Å; Q141-L162 HydrophobicContact CG-CD1 3.45Å; Q141-L162 VanDerWaalsContact CG-CD1 3.45Å; Q141-L162 HydrophobicContact CG-CD2 4.47Å; N144-L162 HydrophobicContact CB-CB 4.34Å; N144-L162 HydrophobicContact CB-CD2 3.83Å; A158-L162 WeakPolarHBondContact O-CB 3.35Å; A158-L162 PolarHBondContact O-N 2.98Å; T159-L162 PolarHBondContact O-N 3.31Å; S160-L162 VanDerWaalsContact C-N 3.32Å; S160-L162 PolarHBondContact O-N 3.19Å; L162-T165 WeakPolarHBondContact CA-OG1 3.44Å; L162-T165 PolarHBondContact O-OG1 3.31Å; L162-R166 WeakPolarHBondContact O-CB 3.41Å; L162-R166 PolarHBondContact O-N 2.9Å
163S90.2Very high88.4Confident55 Ų5573.7 Ų73.739%0.38538%0.375SS..Hα-helixtrans-63.9-43.9177.5-173.20000111.9T159 S160 K167T159-S163 WeakPolarHBondContact O-CB 3.46Å; T159-S163 PolarHBondContact O-N 2.78Å; S160-S163 WeakPolarHBondContact O-CB 3.25Å; S160-S163 PolarHBondContact O-N 3.35Å; S163-K167 WeakPolarHBondContact O-CG 3.4Å; S163-K167 PolarHBondContact O-N 3.14Å; S163-K167 VanDerWaalsContact O-N 3.1Å
164I91.5Very high88.2Confident98 Ų9871.3 Ų71.350%0.50337%0.367SS..Hα-helixtrans-65.4-54.2178.8-65.8167000110.6S160 A161 R166 K167 C168S160-I164 WeakPolarHBondContact O-CG1 3.46Å; S160-I164 PolarHBondContact O-N 3Å; A161-I164 PolarHBondContact O-N 3.14Å; I164-R166 VanDerWaalsContact C-N 3.27Å; I164-R166 PolarHBondContact O-N 3.41Å; I164-K167 WeakPolarHBondContact O-CB 3.28Å; I164-K167 PolarHBondContact O-N 3.43Å; I164-C168 PolarHBondContact O-N 2.92Å; I164-C168 PolarHBondContact O-SG 2.92Å
165T88.3Confident88Confident31 Ų3170.4 Ų70.419%0.1937%0.365CS..Hα-helixtrans-59.6-37.3-179.949.60000112.1A140 A161 L162 C168 F169A140-T165 HydrophobicContact CB-CG2 4.22Å; A140-T165 WeakPolarHBondContact CB-OG1 3.36Å; A161-T165 WeakPolarHBondContact O-CB 3.22Å; A161-T165 WeakPolarHBondContact O-CG2 3.49Å; A161-T165 PolarHBondContact O-N 3.22Å; A161-T165 PolarHBondContact O-OG1 2.92Å; L162-T165 WeakPolarHBondContact CA-OG1 3.44Å; L162-T165 PolarHBondContact O-OG1 3.31Å; T165-C168 PolarHBondContact O-N 3.37Å; T165-F169 WeakPolarHBondContact O-CB 3.39Å; T165-F169 PolarHBondContact O-N 3.16Å
166R85.3Confident87.8Confident101 Ų10168.1 Ų68.138%0.38135%0.351SS..Hα-helixtrans-65.6-37.2174.2-172.9-179.2-68174.1-0.7113.1L162 I164 R170L162-R166 WeakPolarHBondContact O-CB 3.41Å; L162-R166 PolarHBondContact O-N 2.9Å; I164-R166 VanDerWaalsContact C-N 3.27Å; I164-R166 PolarHBondContact O-N 3.41Å; R166-R170 WeakPolarHBondContact O-CG 3.41Å; R166-R170 PolarHBondContact O-N 2.88Å; R166-R170 VanDerWaalsContact O-N 3.14Å
167K86.4Confident87.5Confident146 Ų14661.4 Ų61.464%0.63532%0.32SS*.Hα-helixtrans-66.2-46.6174.2-74.6175.5-176.7179.80110.9S163 I164 F169 R170 H171S163-K167 WeakPolarHBondContact O-CG 3.4Å; S163-K167 PolarHBondContact O-N 3.14Å; S163-K167 VanDerWaalsContact O-N 3.1Å; I164-K167 WeakPolarHBondContact O-CB 3.28Å; I164-K167 PolarHBondContact O-N 3.43Å; K167-F169 PolarHBondContact O-N 3.48Å; K167-R170 PolarHBondContact O-N 3.33Å; K167-H171 PolarHBondContact O-N 3.14Å; K167-H171 VanDerWaalsContact O-N 3.15Å
168C87.8Confident87.2Confident57 Ų5759.8 Ų59.839%0.38532%0.315SS..Hα-helixtrans-59-46.5175.8-65.90000111.4V133 I164 T165 R170 H171 L172V133-C168 HydrophobicContact CG1-CB 4.01Å; I164-C168 PolarHBondContact O-N 2.92Å; I164-C168 PolarHBondContact O-SG 2.92Å; T165-C168 PolarHBondContact O-N 3.37Å; C168-R170 VanDerWaalsContact C-N 3.33Å; C168-R170 PolarHBondContact O-N 3.41Å; C168-H171 PolarHBondContact O-N 3.11Å; C168-L172 WeakPolarHBondContact O-CD1 3.26Å; C168-L172 PolarHBondContact O-N 2.63Å
169F85.7Confident87.1Confident28 Ų2860.6 Ų60.612%0.12332%0.316CS..Hα-helixtrans-56.2-46176.8175.4-98.5000112.1L11 F130 V133 R134 M137 T165 K167 H171 L172 A173L11-F169 HydrophobicContact CD2-CE1 4.36Å; F130-F169 HydrophobicContact CD2-CE2 4.38Å; F130-F169 HydrophobicContact CE2-CD2 4.26Å; F130-F169 AromaticContact CE2-CE2 3.52Å; F130-F169 HydrophobicContact CE2-CE2 3.52Å; F130-F169 AromaticContact CE2-CZ 3.96Å; F130-F169 HydrophobicContact CE2-CZ 3.96Å; F130-F169 AromaticContact CZ-CE2 3.9Å; F130-F169 HydrophobicContact CZ-CE2 3.9Å; F130-F169 HydrophobicContact CZ-CZ 4.23Å; V133-F169 HydrophobicContact CG1-CB 4Å; R134-F169 HydrophobicContact CB-CD2 4.19Å; R134-F169 HydrophobicContact CB-CE2 3.94Å; R134-F169 HydrophobicContact CG-CE2 4.16Å; M137-F169 HydrophobicContact CE-CD1 4.05Å; M137-F169 HydrophobicContact CE-CD2 4.09Å; M137-F169 HydrophobicContact CE-CE1 4.16Å; M137-F169 HydrophobicContact CE-CE2 4.2Å; M137-F169 HydrophobicContact CE-CG 4.02Å; M137-F169 HydrophobicContact CE-CZ 4.23Å; M137-F169 HydrophobicContact SD-CB 3.75Å; M137-F169 HydrophobicContact SD-CD1 3.67Å; M137-F169 HydrophobicContact SD-CD2 4.19Å; M137-F169 HydrophobicContact SD-CE1 4.34Å; M137-F169 HydrophobicContact SD-CG 3.58Å; M137-F169 VanDerWaalsContact SD-CG 3.58Å; T165-F169 WeakPolarHBondContact O-CB 3.39Å; T165-F169 PolarHBondContact O-N 3.16Å; K167-F169 PolarHBondContact O-N 3.48Å; F169-H171 VanDerWaalsContact C-N 3.34Å; F169-H171 PolarHBondContact O-N 3.35Å; F169-L172 PolarHBondContact O-N 3.11Å; F169-A173 WeakPolarHBondContact O-CB 3.47Å; F169-A173 PolarHBondContact O-N 3.11Å
170R81.4Confident86.8Confident120 Ų12057.5 Ų57.545%0.45330%0.296SS..Hα-helixtrans-61.5-41178.4-75176.2177.3-173.4-2112.5L11 R166 K167 C168 L174L11-R170 HydrophobicContact CD1-CG 4.29Å; L11-R170 HydrophobicContact CD2-CG 4.21Å; R166-R170 WeakPolarHBondContact O-CG 3.41Å; R166-R170 PolarHBondContact O-N 2.88Å; R166-R170 VanDerWaalsContact O-N 3.14Å; K167-R170 PolarHBondContact O-N 3.33Å; C168-R170 VanDerWaalsContact C-N 3.33Å; C168-R170 PolarHBondContact O-N 3.41Å; R170-L174 WeakPolarHBondContact O-CG 3.49Å; R170-L174 PolarHBondContact O-N 3.5Å
171H83.4Confident86.4Confident118 Ų11856.6 Ų56.655%0.54629%0.286SS..Hα-helixtrans-65.5-53178.2-167.1-66.1000111.4K167 C168 F169 A173 L174 D175K167-H171 PolarHBondContact O-N 3.14Å; K167-H171 VanDerWaalsContact O-N 3.15Å; C168-H171 PolarHBondContact O-N 3.11Å; F169-H171 VanDerWaalsContact C-N 3.34Å; F169-H171 PolarHBondContact O-N 3.35Å; H171-A173 VanDerWaalsContact C-N 3.27Å; H171-A173 PolarHBondContact O-N 2.87Å; H171-L174 WeakPolarHBondContact O-CB 3.46Å; H171-L174 PolarHBondContact O-N 3.27Å; H171-L174 VanDerWaalsContact O-N 3.07Å; H171-D175 IonicContact CE1-OD1 2.63Å; H171-D175 IonicContact CE1-OD2 2.98Å; H171-D175 PolarHBondContact CE1-OD2 3.29Å; H171-D175 VanDerWaalsContact CE1-OD2 3.28Å; H171-D175 IonicContact ND1-OD2 3.87Å; H171-D175 PolarHBondContact ND1-OD2 3.39Å; H171-D175 PolarHBondContact O-N 2.73Å; H171-D175 VanDerWaalsContact O-N 3.09Å
172L85.8Confident86.3Confident43 Ų4357.1 Ų57.123%0.22529%0.285CS..Hα-helixtrans-65.9-30.6-179.2-83.689.8000112.7H129 V133 C168 F169 L174 D175 Y176H129-L172 HydrophobicContact CB-CD2 3.66Å; V133-L172 HydrophobicContact CB-CD2 4.41Å; V133-L172 HydrophobicContact CG2-CD1 4.26Å; V133-L172 HydrophobicContact CG2-CD2 3.81Å; C168-L172 WeakPolarHBondContact O-CD1 3.26Å; C168-L172 PolarHBondContact O-N 2.63Å; F169-L172 PolarHBondContact O-N 3.11Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-D175 PolarHBondContact O-N 3.47Å; L172-Y176 VanDerWaalsContact O-CB 3.29Å; L172-Y176 WeakPolarHBondContact O-CB 3.5Å; L172-Y176 PolarHBondContact O-N 3Å
173A81.8Confident86.3Confident4 Ų457 Ų573%0.03328%0.284CS..Hα-helixtrans-64.8-36.917400000111.7M7 F130 F169 H171 Y176 V177M7-A173 HydrophobicContact CE-CB 3.22Å; M7-A173 HydrophobicContact SD-CB 4.11Å; F130-A173 HydrophobicContact CD2-CB 4.14Å; F130-A173 HydrophobicContact CE2-CB 3.71Å; F169-A173 WeakPolarHBondContact O-CB 3.47Å; F169-A173 PolarHBondContact O-N 3.11Å; H171-A173 VanDerWaalsContact C-N 3.27Å; H171-A173 PolarHBondContact O-N 2.87Å; A173-Y176 PolarHBondContact O-N 3.48Å; A173-V177 WeakPolarHBondContact O-CB 3.36Å; A173-V177 WeakPolarHBondContact O-CG2 3.26Å; A173-V177 PolarHBondContact O-N 3.11Å
174L82.9Confident86Confident91 Ų9156.5 Ų56.548%0.47628%0.276SS..Hα-helixtrans-67-44.6174.1-72169.9000110.9M7 R170 H171 L172 Y176 V177 L178M7-L174 HydrophobicContact CE-CD2 3.9Å; M7-L174 HydrophobicContact CE-CG 3.88Å; M7-L174 HydrophobicContact SD-CD2 4.07Å; R170-L174 WeakPolarHBondContact O-CG 3.49Å; R170-L174 PolarHBondContact O-N 3.5Å; H171-L174 WeakPolarHBondContact O-CB 3.46Å; H171-L174 PolarHBondContact O-N 3.27Å; H171-L174 VanDerWaalsContact O-N 3.07Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L174-Y176 VanDerWaalsContact C-N 3.3Å; L174-Y176 PolarHBondContact O-N 3.02Å; L174-V177 PolarHBondContact O-N 3.42Å; L174-L178 WeakPolarHBondContact O-CB 2.92Å; L174-L178 PolarHBondContact O-N 2.97Å
175D86.1Confident85.8Confident60 Ų6055 Ų5532%0.32128%0.278SS..Hα-helixtrans-59.9-42.7175.9-65.4-36.2000111T126 H171 L172 L178 Q179T126-D175 HydrophobicContact CG2-CB 4.46Å; H171-D175 IonicContact CE1-OD1 2.63Å; H171-D175 IonicContact CE1-OD2 2.98Å; H171-D175 PolarHBondContact CE1-OD2 3.29Å; H171-D175 VanDerWaalsContact CE1-OD2 3.28Å; H171-D175 IonicContact ND1-OD2 3.87Å; H171-D175 PolarHBondContact ND1-OD2 3.39Å; H171-D175 PolarHBondContact O-N 2.73Å; H171-D175 VanDerWaalsContact O-N 3.09Å; L172-D175 PolarHBondContact O-N 3.47Å; D175-L178 WeakPolarHBondContact O-CB 3.34Å; D175-L178 PolarHBondContact O-N 3.42Å; D175-Q179 WeakPolarHBondContact O-CG 3.38Å; D175-Q179 PolarHBondContact O-N 3.46Å
176Y86.7Confident86Confident1 Ų156.4 Ų56.40%0.00428%0.281CS..Hα-helixtrans-64.2-47.6178.6-174.8-135.4000112.3I24 E28 F123 T126 K127 F130 L172 A173 L174 L178 Q179 I180I24-Y176 HydrophobicContact CD1-CE1 4.43Å; I24-Y176 HydrophobicContact CG2-CE1 3.8Å; E28-Y176 VanDerWaalsContact CD-OH 3.28Å; E28-Y176 VanDerWaalsContact CG-OH 3.26Å; E28-Y176 WeakPolarHBondContact CG-OH 3.37Å; E28-Y176 PolarHBondContact OE1-OH 3.06Å; F123-Y176 AromaticContact CD2-CE2 3.93Å; F123-Y176 HydrophobicContact CD2-CE2 3.93Å; F123-Y176 HydrophobicContact CE2-CD2 4.32Å; F123-Y176 AromaticContact CE2-CE2 3.34Å; F123-Y176 HydrophobicContact CE2-CE2 3.34Å; F123-Y176 AromaticContact CE2-CZ 3.85Å; F123-Y176 AromaticContact CZ-CE2 4Å; F123-Y176 HydrophobicContact CZ-CE2 4Å; F123-Y176 WeakPolarHBondContact CZ-OH 3.46Å; T126-Y176 HydrophobicContact CG2-CD2 4.18Å; K127-Y176 HydrophobicContact CB-CD2 4.39Å; K127-Y176 HydrophobicContact CB-CE2 3.66Å; K127-Y176 HydrophobicContact CG-CE2 4.12Å; F130-Y176 HydrophobicContact CB-CD1 4.37Å; F130-Y176 HydrophobicContact CB-CG 4.22Å; F130-Y176 AromaticContact CD1-CD1 3.71Å; F130-Y176 HydrophobicContact CD1-CD1 3.71Å; F130-Y176 AromaticContact CD1-CE1 3.93Å; F130-Y176 HydrophobicContact CD1-CE1 3.93Å; F130-Y176 HydrophobicContact CD1-CG 4.39Å; F130-Y176 HydrophobicContact CD2-CD1 4.25Å; F130-Y176 HydrophobicContact CE1-CD1 4Å; F130-Y176 HydrophobicContact CE1-CE1 4.14Å; F130-Y176 AromaticContact CG-CD1 3.83Å; F130-Y176 HydrophobicContact CG-CD1 3.83Å; F130-Y176 HydrophobicContact CG-CE1 4.49Å; F130-Y176 HydrophobicContact CG-CG 4.13Å; F130-Y176 HydrophobicContact CZ-CD1 4.4Å; L172-Y176 VanDerWaalsContact O-CB 3.29Å; L172-Y176 WeakPolarHBondContact O-CB 3.5Å; L172-Y176 PolarHBondContact O-N 3Å; A173-Y176 PolarHBondContact O-N 3.48Å; L174-Y176 VanDerWaalsContact C-N 3.3Å; L174-Y176 PolarHBondContact O-N 3.02Å; Y176-L178 VanDerWaalsContact C-N 3.29Å; Y176-L178 PolarHBondContact O-N 3.49Å; Y176-Q179 PolarHBondContact O-N 3.3Å; Y176-I180 HydrophobicContact CD1-CD1 4.12Å; Y176-I180 HydrophobicContact CD2-CD1 4.41Å; Y176-I180 HydrophobicContact CE1-CD1 3.8Å; Y176-I180 HydrophobicContact CE2-CD1 4.08Å; Y176-I180 HydrophobicContact CE2-CG1 4.21Å; Y176-I180 HydrophobicContact CG-CD1 4.4Å; Y176-I180 WeakPolarHBondContact O-CG1 3.33Å; Y176-I180 PolarHBondContact O-N 3.27Å
177V83.2Confident86.2Confident2 Ų253.2 Ų53.21%0.01227%0.27CS..Hα-helixtrans-63.8-35.9175.6171.20000111.6L3 V4 M7 F20 A173 L174 I180 N181L3-V177 HydrophobicContact CB-CG1 4.02Å; V4-V177 HydrophobicContact CG2-CG1 3.77Å; M7-V177 HydrophobicContact SD-CB 4.32Å; M7-V177 HydrophobicContact SD-CG2 3.68Å; F20-V177 HydrophobicContact CE2-CG2 4.35Å; F20-V177 HydrophobicContact CZ-CG2 3.75Å; A173-V177 WeakPolarHBondContact O-CB 3.36Å; A173-V177 WeakPolarHBondContact O-CG2 3.26Å; A173-V177 PolarHBondContact O-N 3.11Å; L174-V177 PolarHBondContact O-N 3.42Å; V177-I180 PolarHBondContact O-N 3.1Å; V177-N181 WeakPolarHBondContact CG1-ND2 3.47Å; V177-N181 PolarHBondContact O-N 3.45Å; V177-N181 PolarHBondContact O-ND2 3.05Å
178L84.8Confident86.4Confident93 Ų9353.2 Ų53.249%0.48727%0.27SS..Hα-helixtrans-61-50.3173175.263.3000110.5L174 D175 Y176 I180 N181 V182L174-L178 WeakPolarHBondContact O-CB 2.92Å; L174-L178 PolarHBondContact O-N 2.97Å; D175-L178 WeakPolarHBondContact O-CB 3.34Å; D175-L178 PolarHBondContact O-N 3.42Å; Y176-L178 VanDerWaalsContact C-N 3.29Å; Y176-L178 PolarHBondContact O-N 3.49Å; L178-I180 VanDerWaalsContact C-N 3.34Å; L178-I180 PolarHBondContact O-N 3.4Å; L178-N181 PolarHBondContact O-N 3.03Å; L178-N181 VanDerWaalsContact O-N 3.16Å; L178-V182 HydrophobicContact CD1-CG2 4.13Å; L178-V182 HydrophobicContact CG-CG2 4.47Å; L178-V182 WeakPolarHBondContact O-CG2 3.41Å; L178-V182 PolarHBondContact O-N 3.25Å
179Q89.1Confident86.7Confident34 Ų3455.7 Ų55.716%0.15927%0.274CS..Hα-helixtrans-60.7-41.3178.6-67.3-48.4-50.200112.1T126 D175 Y176 N181 V182 L183T126-Q179 HydrophobicContact CG2-CG 3.96Å; D175-Q179 WeakPolarHBondContact O-CG 3.38Å; D175-Q179 PolarHBondContact O-N 3.46Å; Y176-Q179 PolarHBondContact O-N 3.3Å; Q179-N181 VanDerWaalsContact C-N 3.35Å; Q179-N181 PolarHBondContact O-N 3.05Å; Q179-V182 PolarHBondContact O-N 3.07Å; Q179-L183 VanDerWaalsContact O-CB 3.31Å; Q179-L183 WeakPolarHBondContact O-CB 3.49Å; Q179-L183 PolarHBondContact O-N 3.27Å
180I86.8Confident87.1Confident3 Ų355.9 Ų55.92%0.01528%0.276CS..Hα-helixtrans-56.4-48.9173.6-73.5167.2000111.1I24 V27 F123 Y176 V177 L178 L183 Q184I24-I180 HydrophobicContact CG1-CD1 4.42Å; V27-I180 HydrophobicContact CG1-CG2 3.82Å; F123-I180 HydrophobicContact CD2-CG1 4.14Å; F123-I180 HydrophobicContact CE2-CD1 4.33Å; F123-I180 HydrophobicContact CE2-CG1 3.53Å; Y176-I180 HydrophobicContact CD1-CD1 4.12Å; Y176-I180 HydrophobicContact CD2-CD1 4.41Å; Y176-I180 HydrophobicContact CE1-CD1 3.8Å; Y176-I180 HydrophobicContact CE2-CD1 4.08Å; Y176-I180 HydrophobicContact CE2-CG1 4.21Å; Y176-I180 HydrophobicContact CG-CD1 4.4Å; Y176-I180 WeakPolarHBondContact O-CG1 3.33Å; Y176-I180 PolarHBondContact O-N 3.27Å; V177-I180 PolarHBondContact O-N 3.1Å; L178-I180 VanDerWaalsContact C-N 3.34Å; L178-I180 PolarHBondContact O-N 3.4Å; I180-L183 PolarHBondContact O-N 3.09Å; I180-Q184 HydrophobicContact CG2-CG 4.46Å; I180-Q184 WeakPolarHBondContact O-CB 3.3Å; I180-Q184 WeakPolarHBondContact O-CG 3.46Å; I180-Q184 PolarHBondContact O-N 3.07Å
181N85.3Confident87.6Confident47 Ų4752.3 Ų52.325%0.25127%0.265SS..Hα-helixtrans-65.5-41.1-178.1-73.5-54.3000111.7V177 L178 Q179 A185V177-N181 WeakPolarHBondContact CG1-ND2 3.47Å; V177-N181 PolarHBondContact O-N 3.45Å; V177-N181 PolarHBondContact O-ND2 3.05Å; L178-N181 PolarHBondContact O-N 3.03Å; L178-N181 VanDerWaalsContact O-N 3.16Å; Q179-N181 VanDerWaalsContact C-N 3.35Å; Q179-N181 PolarHBondContact O-N 3.05Å; N181-A185 VanDerWaalsContact O-CB 3.27Å; N181-A185 WeakPolarHBondContact O-CB 3.3Å; N181-A185 PolarHBondContact O-N 3.44Å
182V89.1Confident88.2Confident55 Ų5552.4 Ų52.433%0.33327%0.269SS..Hα-helixtrans-63.5-47.4176.8171.80000110.4L178 Q179 Q184 A185 K186L178-V182 HydrophobicContact CD1-CG2 4.13Å; L178-V182 HydrophobicContact CG-CG2 4.47Å; L178-V182 WeakPolarHBondContact O-CG2 3.41Å; L178-V182 PolarHBondContact O-N 3.25Å; Q179-V182 PolarHBondContact O-N 3.07Å; V182-Q184 PolarHBondContact O-N 3.12Å; V182-A185 PolarHBondContact O-N 3.42Å; V182-K186 HydrophobicContact CG1-CD 4.28Å; V182-K186 HydrophobicContact CG1-CG 4.46Å; V182-K186 WeakPolarHBondContact O-CB 3.46Å; V182-K186 PolarHBondContact O-N 3.08Å
183L89.8Confident88.7Confident9 Ų953.9 Ų53.95%0.04728%0.277CS..Hα-helixtrans-61.3-46.7179.2-174.368.2000111.4V31 F115 D119 V120 F123 Q179 I180 A185 K186 K187V31-L183 HydrophobicContact CB-CD2 4.42Å; V31-L183 HydrophobicContact CG1-CD2 3.84Å; V31-L183 HydrophobicContact CG2-CD2 3.58Å; F115-L183 HydrophobicContact CE2-CD1 3.82Å; F115-L183 HydrophobicContact CZ-CD1 3.59Å; D119-L183 HydrophobicContact CB-CD1 3.92Å; V120-L183 HydrophobicContact CG2-CD1 4.11Å; F123-L183 HydrophobicContact CB-CD2 3.97Å; F123-L183 HydrophobicContact CD1-CD2 4.15Å; F123-L183 HydrophobicContact CD2-CD2 4.26Å; F123-L183 HydrophobicContact CG-CD2 3.85Å; Q179-L183 VanDerWaalsContact O-CB 3.31Å; Q179-L183 WeakPolarHBondContact O-CB 3.49Å; Q179-L183 PolarHBondContact O-N 3.27Å; I180-L183 PolarHBondContact O-N 3.09Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 2.97Å; L183-K186 PolarHBondContact O-N 2.94Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.31Å
184Q85.6Confident89.4Confident46 Ų4653.7 Ų53.722%0.21528%0.276CS..Hα-helixtrans-65.5-32.6177.8-74.1-74.1-7.900112.8E30 I180 V182E30-Q184 PolarHBondContact OE2-NE2 3.01Å; I180-Q184 HydrophobicContact CG2-CG 4.46Å; I180-Q184 WeakPolarHBondContact O-CB 3.3Å; I180-Q184 WeakPolarHBondContact O-CG 3.46Å; I180-Q184 PolarHBondContact O-N 3.07Å; V182-Q184 PolarHBondContact O-N 3.12Å
185A87.4Confident90Very high65 Ų6552.2 Ų52.254%0.53727%0.267SS..Hα-helixtrans-69.9-42.5173.700000111.8N181 V182 L183 F189N181-A185 VanDerWaalsContact O-CB 3.27Å; N181-A185 WeakPolarHBondContact O-CB 3.3Å; N181-A185 PolarHBondContact O-N 3.44Å; V182-A185 PolarHBondContact O-N 3.42Å; L183-A185 VanDerWaalsContact C-N 3.31Å; L183-A185 PolarHBondContact O-N 2.97Å; A185-F189 WeakPolarHBondContact O-CD1 3.35Å
186K91.4Very high90.4Very high62 Ų6254.1 Ų54.127%0.2728%0.277SS..Hα-helixtrans-70.8-43.4179.6-76.1-171.1167.4-166.40114F115 D119 V182 L183 K188 F189 E190F115-K186 HydrophobicContact CE2-CB 3.91Å; D119-K186 WeakPolarHBondContact OD1-CD 3.22Å; D119-K186 IonicContact OD1-NZ 3.79Å; D119-K186 PolarHBondContact OD1-NZ 3.13Å; D119-K186 IonicContact OD2-NZ 2.96Å; D119-K186 PolarHBondContact OD2-NZ 3.11Å; V182-K186 HydrophobicContact CG1-CD 4.28Å; V182-K186 HydrophobicContact CG1-CG 4.46Å; V182-K186 WeakPolarHBondContact O-CB 3.46Å; V182-K186 PolarHBondContact O-N 3.08Å; L183-K186 PolarHBondContact O-N 2.94Å; K186-K188 PolarHBondContact O-N 3.11Å; K186-F189 VanDerWaalsContact CA-CE1 3.41Å; K186-F189 HydrophobicContact CB-CE1 3.99Å; K186-F189 HydrophobicContact CB-CZ 4.31Å; K186-F189 HydrophobicContact CG-CE1 3.77Å; K186-F189 HydrophobicContact CG-CZ 3.96Å; K186-F189 WeakPolarHBondContact O-CD1 3.43Å; K186-F189 PolarHBondContact O-N 3.39Å; K186-F189 VanDerWaalsContact O-N 3.11Å; K186-E190 HydrophobicContact CB-CG 4.45Å; K186-E190 WeakPolarHBondContact O-CG 3.42Å; K186-E190 PolarHBondContact O-N 2.85Å
187K89.9Confident90.9Very high33 Ų3355.6 Ų55.614%0.14329%0.287CS..Hα-helixtrans-42.6-46.8-177.2-178.8178106.7-174.10113.4E30 I34 F115 L183 I191E30-K187 IonicContact OE2-NZ 3.87Å; E30-K187 PolarHBondContact OE2-NZ 3.24Å; I34-K187 HydrophobicContact CD1-CD 3.47Å; I34-K187 VanDerWaalsContact CD1-CD 3.47Å; I34-K187 HydrophobicContact CD1-CG 3.54Å; F115-K187 HydrophobicContact CZ-CB 4.08Å; L183-K187 WeakPolarHBondContact O-CB 3.44Å; L183-K187 PolarHBondContact O-N 3.31Å; K187-I191 HydrophobicContact CG-CD1 4.25Å; K187-I191 WeakPolarHBondContact O-CD1 3.47Å; K187-I191 VanDerWaalsContact O-CG1 3.26Å; K187-I191 WeakPolarHBondContact O-CG1 3.49Å; K187-I191 PolarHBondContact O-N 3.45Å
188K89.9Confident91.5Very high146 Ų14657.1 Ų57.164%0.63529%0.294SS*.Hα-helixtrans-69.1-50-175.6-69.3-174.2179-176.10112.2K186 L192K186-K188 PolarHBondContact O-N 3.11Å; K188-L192 WeakPolarHBondContact O-CB 3.22Å; K188-L192 WeakPolarHBondContact O-CD1 3.37Å; K188-L192 WeakPolarHBondContact O-CG 3.3Å; K188-L192 PolarHBondContact O-N 2.88Å
189F93.7Very high92.1Very high109 Ų10958.2 Ų58.248%0.47830%0.298SS..Hα-helixtrans-76-36.4-173.279.4-105.3000111.7A185 K186 I191 L192 D193A185-F189 WeakPolarHBondContact O-CD1 3.35Å; K186-F189 VanDerWaalsContact CA-CE1 3.41Å; K186-F189 HydrophobicContact CB-CE1 3.99Å; K186-F189 HydrophobicContact CB-CZ 4.31Å; K186-F189 HydrophobicContact CG-CE1 3.77Å; K186-F189 HydrophobicContact CG-CZ 3.96Å; K186-F189 WeakPolarHBondContact O-CD1 3.43Å; K186-F189 PolarHBondContact O-N 3.39Å; K186-F189 VanDerWaalsContact O-N 3.11Å; F189-I191 PolarHBondContact O-N 3.3Å; F189-L192 PolarHBondContact O-N 3.31Å; F189-D193 WeakPolarHBondContact O-CB 3.41Å; F189-D193 PolarHBondContact O-N 3.27Å
190E94.3Very high92.5Very high32 Ų3260.9 Ų60.915%0.1531%0.313CS..Hα-helixtrans-61.9-43.3179.3-68.8-69.6179.100112Q111 F115 K186 A194Q111-E190 WeakPolarHBondContact CG-OE2 3.33Å; Q111-E190 PolarHBondContact NE2-OE2 3.03Å; F115-E190 HydrophobicContact CD2-CB 4.33Å; F115-E190 HydrophobicContact CD2-CG 3.96Å; F115-E190 HydrophobicContact CE2-CG 4.48Å; K186-E190 HydrophobicContact CB-CG 4.45Å; K186-E190 WeakPolarHBondContact O-CG 3.42Å; K186-E190 PolarHBondContact O-N 2.85Å; E190-A194 VanDerWaalsContact O-CB 3.24Å; E190-A194 WeakPolarHBondContact O-CB 3.37Å; E190-A194 PolarHBondContact O-N 2.92Å; E190-A194 VanDerWaalsContact O-N 3.08Å
191I93.4Very high92.9Very high45 Ų4561.4 Ų61.423%0.23132%0.318CS..Hα-helixtrans-68.3-44.3178.6-64173.4000110.8I34 L38 L112 K187 F189 M195I34-I191 HydrophobicContact CD1-CD1 3.7Å; I34-I191 HydrophobicContact CG1-CD1 4.44Å; L38-I191 HydrophobicContact CD1-CD1 4.41Å; L38-I191 HydrophobicContact CD2-CD1 4.1Å; L38-I191 HydrophobicContact CD2-CG1 4.1Å; L112-I191 HydrophobicContact CD2-CG1 4.32Å; K187-I191 HydrophobicContact CG-CD1 4.25Å; K187-I191 WeakPolarHBondContact O-CD1 3.47Å; K187-I191 VanDerWaalsContact O-CG1 3.26Å; K187-I191 WeakPolarHBondContact O-CG1 3.49Å; K187-I191 PolarHBondContact O-N 3.45Å; F189-I191 PolarHBondContact O-N 3.3Å; I191-M195 VanDerWaalsContact O-CG 3.31Å; I191-M195 WeakPolarHBondContact O-CG 3.48Å; I191-M195 PolarHBondContact O-N 3.48Å
192L95.7Very high93.4Very high121 Ų12161.3 Ų61.363%0.63432%0.316SS*.Hα-helixtrans-67.6-41.2-178.8-71.1173.4000111.8K188 F189 M195 L196K188-L192 WeakPolarHBondContact O-CB 3.22Å; K188-L192 WeakPolarHBondContact O-CD1 3.37Å; K188-L192 WeakPolarHBondContact O-CG 3.3Å; K188-L192 PolarHBondContact O-N 2.88Å; F189-L192 PolarHBondContact O-N 3.31Å; L192-M195 PolarHBondContact O-N 3.3Å; L192-L196 WeakPolarHBondContact O-CB 3.23Å; L192-L196 PolarHBondContact O-N 3.31Å
193D95.5Very high93.8Very high73 Ų7364.9 Ų64.939%0.3933%0.327SS..Hα-helixtrans-66.3-44179.3-174.753.8000111.9Q111 F189 M195 L196 S197Q111-D193 PolarHBondContact NE2-OD2 2.85Å; F189-D193 WeakPolarHBondContact O-CB 3.41Å; F189-D193 PolarHBondContact O-N 3.27Å; D193-M195 VanDerWaalsContact C-N 3.34Å; D193-M195 PolarHBondContact O-N 3.25Å; D193-L196 PolarHBondContact O-N 3.07Å; D193-S197 VanDerWaalsContact O-CB 3.24Å; D193-S197 WeakPolarHBondContact O-CB 3.33Å; D193-S197 PolarHBondContact O-N 3.43Å; D193-S197 PolarHBondContact O-OG 2.95Å; D193-S197 VanDerWaalsContact O-OG 3.06Å
194A95.9Very high94.2Very high0 Ų066.9 Ų66.90%034%0.342CS..Hα-helixtrans-56.1-46.5173.900000112.5S107 L112 E190 F198S107-A194 WeakPolarHBondContact O-CB 3.05Å; S107-A194 PolarHBondContact OG-O 3.5Å; L112-A194 HydrophobicContact CD1-CB 4.43Å; L112-A194 HydrophobicContact CD2-CB 3.74Å; L112-A194 HydrophobicContact CG-CB 3.99Å; E190-A194 VanDerWaalsContact O-CB 3.24Å; E190-A194 WeakPolarHBondContact O-CB 3.37Å; E190-A194 PolarHBondContact O-N 2.92Å; E190-A194 VanDerWaalsContact O-N 3.08Å; A194-F198 PolarHBondContact O-N 2.96Å
195M95.3Very high94.7Very high61 Ų6165.5 Ų65.530%0.334%0.336SS..Hα-helixtrans-72.7-41.8-179.7-68.1-59.7104.800112.1L41 V108 L112 I191 L192 D193 F198 M199L41-M195 HydrophobicContact CD2-CE 4.1Å; V108-M195 HydrophobicContact CB-CE 4.35Å; V108-M195 HydrophobicContact CG1-CE 3.91Å; V108-M195 HydrophobicContact CG2-CE 3.7Å; L112-M195 HydrophobicContact CD1-CE 4.16Å; I191-M195 VanDerWaalsContact O-CG 3.31Å; I191-M195 WeakPolarHBondContact O-CG 3.48Å; I191-M195 PolarHBondContact O-N 3.48Å; L192-M195 PolarHBondContact O-N 3.3Å; D193-M195 VanDerWaalsContact C-N 3.34Å; D193-M195 PolarHBondContact O-N 3.25Å; M195-F198 PolarHBondContact O-N 3.44Å; M195-M199 WeakPolarHBondContact O-CB 3.41Å; M195-M199 WeakPolarHBondContact O-CG 3.44Å; M195-M199 PolarHBondContact O-N 3.02Å
196L96.1Very high95.2Very high100 Ų10069.3 Ų69.352%0.52434%0.34SS..Hα-helixtrans-61.8-45.4177.4-179.861.8000110.9L192 D193 F198 M199 N200L192-L196 WeakPolarHBondContact O-CB 3.23Å; L192-L196 PolarHBondContact O-N 3.31Å; D193-L196 PolarHBondContact O-N 3.07Å; L196-F198 VanDerWaalsContact C-N 3.31Å; L196-F198 PolarHBondContact O-N 3.4Å; L196-M199 PolarHBondContact O-N 3.41Å; L196-N200 WeakPolarHBondContact O-CB 3.42Å; L196-N200 PolarHBondContact O-N 3.39Å; L196-N200 PolarHBondContact O-ND2 2.89Å
197S96.9Very high95.5Very high31 Ų3170.2 Ų70.222%0.21735%0.345CS..Hα-helixtrans-59.3-40.8175.5-72.70000112.4D193 A201D193-S197 VanDerWaalsContact O-CB 3.24Å; D193-S197 WeakPolarHBondContact O-CB 3.33Å; D193-S197 PolarHBondContact O-N 3.43Å; D193-S197 PolarHBondContact O-OG 2.95Å; D193-S197 VanDerWaalsContact O-OG 3.06Å; S197-A201 PolarHBondContact O-N 3.4Å
198F95.9Very high95.8Very high34 Ų3472.2 Ų72.215%0.14936%0.355CS..Hα-helixtrans-69.1-42176.2179.2-117.3000112.5M48 L100 A104 V108 A194 M195 L196 N200 A201 Q202M48-F198 HydrophobicContact CE-CE2 3.92Å; M48-F198 HydrophobicContact CE-CZ 3.77Å; M48-F198 HydrophobicContact SD-CZ 4.14Å; L100-F198 HydrophobicContact CD1-CD2 4.42Å; L100-F198 HydrophobicContact CD1-CE2 4.02Å; A104-F198 HydrophobicContact CB-CD2 3.73Å; A104-F198 HydrophobicContact CB-CE2 3.61Å; V108-F198 HydrophobicContact CG2-CB 3.85Å; V108-F198 HydrophobicContact CG2-CD2 4.42Å; V108-F198 HydrophobicContact CG2-CG 4.05Å; A194-F198 PolarHBondContact O-N 2.96Å; M195-F198 PolarHBondContact O-N 3.44Å; L196-F198 VanDerWaalsContact C-N 3.31Å; L196-F198 PolarHBondContact O-N 3.4Å; F198-N200 PolarHBondContact O-N 2.73Å; F198-A201 WeakPolarHBondContact O-CB 3.38Å; F198-A201 PolarHBondContact O-N 3.34Å; F198-Q202 HydrophobicContact CE1-CG 4.35Å; F198-Q202 HydrophobicContact CE2-CG 4.42Å; F198-Q202 HydrophobicContact CZ-CG 4.23Å; F198-Q202 VanDerWaalsContact CZ-NE2 3.26Å; F198-Q202 WeakPolarHBondContact O-CG 3.41Å; F198-Q202 PolarHBondContact O-N 2.89Å
199M96.9Very high96.2Very high117 Ų11765.9 Ų65.958%0.57633%0.332SS*.Hα-helixtrans-64.6-38.2177.2-72.9-58.8-59.300112.4M195 L196 A201 Q202 F203M195-M199 WeakPolarHBondContact O-CB 3.41Å; M195-M199 WeakPolarHBondContact O-CG 3.44Å; M195-M199 PolarHBondContact O-N 3.02Å; L196-M199 PolarHBondContact O-N 3.41Å; M199-A201 VanDerWaalsContact C-N 3.33Å; M199-A201 PolarHBondContact O-N 2.94Å; M199-Q202 WeakPolarHBondContact O-CB 3.27Å; M199-Q202 PolarHBondContact O-N 3.45Å; M199-F203 PolarHBondContact O-N 3.29Å
200N96.6Very high96.3Very high90 Ų9067.4 Ų67.448%0.48134%0.335SS..Hα-helixtrans-64.2-38.5173.7-74.8-23.5000111.7L196 F198 F203 S204L196-N200 WeakPolarHBondContact O-CB 3.42Å; L196-N200 PolarHBondContact O-N 3.39Å; L196-N200 PolarHBondContact O-ND2 2.89Å; F198-N200 PolarHBondContact O-N 2.73Å; N200-F203 WeakPolarHBondContact O-CB 3.41Å; N200-F203 PolarHBondContact O-N 3.32Å; N200-S204 PolarHBondContact O-N 3.43Å; N200-S204 PolarHBondContact O-OG 2.86Å
201A96.3Very high96.5Very high13 Ų1369.1 Ų69.111%0.10735%0.345CS..Hα-helixtrans-64-40.817500000112.4L100 Q103 S197 F198 M199 S204 L205L100-A201 HydrophobicContact CD1-CB 3.77Å; Q103-A201 HydrophobicContact CB-CB 3.84Å; Q103-A201 HydrophobicContact CG-CB 3.7Å; S197-A201 PolarHBondContact O-N 3.4Å; F198-A201 WeakPolarHBondContact O-CB 3.38Å; F198-A201 PolarHBondContact O-N 3.34Å; M199-A201 VanDerWaalsContact C-N 3.33Å; M199-A201 PolarHBondContact O-N 2.94Å; A201-S204 PolarHBondContact O-N 3.49Å; A201-L205 PolarHBondContact O-N 3.27Å
202Q96.1Very high96.6Very high45 Ų4568 Ų6821%0.2134%0.34CS..Hα-helixtrans-60.7-47.5173.2-70.1-72.5-4.900111L100 F198 M199 S204 L205 F206L100-Q202 HydrophobicContact CD1-CG 3.92Å; F198-Q202 HydrophobicContact CE1-CG 4.35Å; F198-Q202 HydrophobicContact CE2-CG 4.42Å; F198-Q202 HydrophobicContact CZ-CG 4.23Å; F198-Q202 VanDerWaalsContact CZ-NE2 3.26Å; F198-Q202 WeakPolarHBondContact O-CG 3.41Å; F198-Q202 PolarHBondContact O-N 2.89Å; M199-Q202 WeakPolarHBondContact O-CB 3.27Å; M199-Q202 PolarHBondContact O-N 3.45Å; Q202-S204 VanDerWaalsContact C-N 3.33Å; Q202-S204 PolarHBondContact O-N 3.39Å; Q202-L205 WeakPolarHBondContact O-CB 3.27Å; Q202-L205 PolarHBondContact O-N 2.86Å; Q202-F206 VanDerWaalsContact O-CD2 3.22Å; Q202-F206 WeakPolarHBondContact O-CD2 3.28Å; Q202-F206 PolarHBondContact O-N 2.93Å; Q202-F206 VanDerWaalsContact O-N 3.14Å
203F97.6Very high96.6Very high131 Ų13166.3 Ų66.358%0.57533%0.331SS*.Hα-helixtrans-56.6-47.1176174.2-97.3000111.7M199 N200 L205 F206 Q207M199-F203 PolarHBondContact O-N 3.29Å; N200-F203 WeakPolarHBondContact O-CB 3.41Å; N200-F203 PolarHBondContact O-N 3.32Å; F203-L205 PolarHBondContact O-N 3.44Å; F203-F206 PolarHBondContact O-N 3.25Å; F203-Q207 HydrophobicContact CE1-CB 4.46Å; F203-Q207 HydrophobicContact CZ-CB 4.49Å; F203-Q207 WeakPolarHBondContact O-CB 3.49Å; F203-Q207 PolarHBondContact O-N 3.39Å
204S97.1Very high96.6Very high51 Ų5167 Ų6736%0.35734%0.335SS..Hα-helixtrans-60.9-40.9177.5-62.70000113N200 A201 Q202 Q207 Q208N200-S204 PolarHBondContact O-N 3.43Å; N200-S204 PolarHBondContact O-OG 2.86Å; A201-S204 PolarHBondContact O-N 3.49Å; Q202-S204 VanDerWaalsContact C-N 3.33Å; Q202-S204 PolarHBondContact O-N 3.39Å; S204-Q207 PolarHBondContact O-N 3.23Å; S204-Q208 VanDerWaalsContact O-CB 3.3Å; S204-Q208 WeakPolarHBondContact O-CB 3.4Å; S204-Q208 VanDerWaalsContact O-CG 3.23Å; S204-Q208 WeakPolarHBondContact O-CG 3.46Å; S204-Q208 PolarHBondContact O-N 3.06Å
205L97Very high96.6Very high16 Ų1674.1 Ų74.18%0.08437%0.368CS..Hα-helixtrans-56.9-52.3175.5169.564.2000111.2Y96 L100 A201 Q202 F203 G209Y96-L205 VanDerWaalsContact CB-CD1 3.44Å; L100-L205 HydrophobicContact CB-CD2 4.47Å; L100-L205 HydrophobicContact CD2-CD2 3.5Å; L100-L205 VanDerWaalsContact CD2-CD2 3.5Å; A201-L205 PolarHBondContact O-N 3.27Å; Q202-L205 WeakPolarHBondContact O-CB 3.27Å; Q202-L205 PolarHBondContact O-N 2.86Å; F203-L205 PolarHBondContact O-N 3.44Å; L205-G209 PolarHBondContact O-N 3.47Å
206F97.1Very high96.5Very high145 Ų14572.7 Ų72.764%0.63636%0.361SS*.Hα-helixtrans-69-38.7-177.1-75-70.7000112.3Q202 F203 Y210Q202-F206 VanDerWaalsContact O-CD2 3.22Å; Q202-F206 WeakPolarHBondContact O-CD2 3.28Å; Q202-F206 PolarHBondContact O-N 2.93Å; Q202-F206 VanDerWaalsContact O-N 3.14Å; F203-F206 PolarHBondContact O-N 3.25Å; F206-Y210 VanDerWaalsContact O-CB 3.26Å; F206-Y210 WeakPolarHBondContact O-CB 3.29Å; F206-Y210 PolarHBondContact O-N 3.41Å
207Q97.8Very high96.4Very high81 Ų8170.6 Ų70.638%0.37935%0.35SS..Hα-helixtrans-65.5-47.1178.1-174.164.750.900111.8F203 S204 Y210 N211F203-Q207 HydrophobicContact CE1-CB 4.46Å; F203-Q207 HydrophobicContact CZ-CB 4.49Å; F203-Q207 WeakPolarHBondContact O-CB 3.49Å; F203-Q207 PolarHBondContact O-N 3.39Å; S204-Q207 PolarHBondContact O-N 3.23Å; Q207-Y210 PolarHBondContact O-N 3.44Å; Q207-N211 PolarHBondContact NE2-OD1 3.39Å; Q207-N211 PolarHBondContact O-N 3.4Å; Q207-N211 PolarHBondContact O-OD1 3.4Å
208Q97.3Very high96.4Very high75 Ų7573.1 Ų73.135%0.3537%0.366SS..Hα-helixtrans-67.4-41.6179.3-68.5173.310.800111.1Y96 S204 N211 L212Y96-Q208 HydrophobicContact CD1-CB 4.2Å; Y96-Q208 HydrophobicContact CD2-CB 3.92Å; Y96-Q208 HydrophobicContact CE1-CB 4.06Å; Y96-Q208 VanDerWaalsContact CE1-OE1 3.28Å; Y96-Q208 HydrophobicContact CE2-CB 3.74Å; Y96-Q208 HydrophobicContact CG-CB 4.16Å; S204-Q208 VanDerWaalsContact O-CB 3.3Å; S204-Q208 WeakPolarHBondContact O-CB 3.4Å; S204-Q208 VanDerWaalsContact O-CG 3.23Å; S204-Q208 WeakPolarHBondContact O-CG 3.46Å; S204-Q208 PolarHBondContact O-N 3.06Å; Q208-N211 PolarHBondContact O-N 3.46Å; Q208-L212 WeakPolarHBondContact O-CB 3.34Å; Q208-L212 PolarHBondContact O-N 2.87Å; Q208-L212 VanDerWaalsContact O-N 3.08Å
209G96.8Very high96.3Very high13 Ų1373.3 Ų73.313%0.13437%0.366CS..Hα-helixtrans-62-4217500000113L205 L213L205-G209 PolarHBondContact O-N 3.47Å; G209-L213 WeakPolarHBondContact O-CG 3.42Å; G209-L213 PolarHBondContact O-N 3.42Å; G209-L213 VanDerWaalsContact O-N 3.13Å
210Y97.1Very high96.1Very high141 Ų14172.3 Ų72.355%0.55336%0.362SS*.Hα-helixtrans-62.6-51.1175.4174.4-90.9000111.5F206 Q207 L212 L213 D214F206-Y210 VanDerWaalsContact O-CB 3.26Å; F206-Y210 WeakPolarHBondContact O-CB 3.29Å; F206-Y210 PolarHBondContact O-N 3.41Å; Q207-Y210 PolarHBondContact O-N 3.44Å; Y210-L212 VanDerWaalsContact C-N 3.28Å; Y210-L212 PolarHBondContact O-N 3.24Å; Y210-L213 PolarHBondContact O-N 3.07Å; Y210-L213 VanDerWaalsContact O-N 3.11Å; Y210-D214 HydrophobicContact CE1-CB 4.13Å; Y210-D214 WeakPolarHBondContact O-CB 3.22Å; Y210-D214 PolarHBondContact O-N 3.18Å
211N97.1Very high96Very high68 Ų6874.3 Ų74.336%0.36437%0.366SS..Hα-helixtrans-57.4-43.6-178.5-68.4-3.8000111.4Q207 Q208 D214 E215Q207-N211 PolarHBondContact NE2-OD1 3.39Å; Q207-N211 PolarHBondContact O-N 3.4Å; Q207-N211 PolarHBondContact O-OD1 3.4Å; Q208-N211 PolarHBondContact O-N 3.46Å; N211-D214 PolarHBondContact O-N 3.32Å; N211-E215 WeakPolarHBondContact O-CG 3.43Å; N211-E215 PolarHBondContact O-N 2.99Å
212L96.4Very high96Very high22 Ų2279.2 Ų79.212%0.11539%0.385CS..Hα-helixtrans-61.3-44.8176.9178.566.6000112.2S89 E92 I93 Y96 Q208 Y210 E215 L216S89-L212 WeakPolarHBondContact O-CD2 3.33Å; E92-L212 HydrophobicContact CB-CD2 3.71Å; I93-L212 HydrophobicContact CG1-CD2 3.87Å; Y96-L212 HydrophobicContact CE2-CD2 4.14Å; Q208-L212 WeakPolarHBondContact O-CB 3.34Å; Q208-L212 PolarHBondContact O-N 2.87Å; Q208-L212 VanDerWaalsContact O-N 3.08Å; Y210-L212 VanDerWaalsContact C-N 3.28Å; Y210-L212 PolarHBondContact O-N 3.24Å; L212-E215 PolarHBondContact O-N 3.22Å; L212-L216 HydrophobicContact CD1-CD1 4.43Å; L212-L216 HydrophobicContact CG-CD1 4.22Å; L212-L216 WeakPolarHBondContact O-CD1 3.43Å; L212-L216 VanDerWaalsContact O-CG 3.25Å; L212-L216 WeakPolarHBondContact O-CG 3.43Å; L212-L216 PolarHBondContact O-N 3.17Å
213L95.1Very high95.8Very high85 Ų8579 Ų7945%0.44539%0.385SS..Hα-helixtrans-71-32.7179.9-69.1174.5000112.6I93 G209 Y210 L216 D217I93-L213 HydrophobicContact CD1-CD2 4.3Å; G209-L213 WeakPolarHBondContact O-CG 3.42Å; G209-L213 PolarHBondContact O-N 3.42Å; G209-L213 VanDerWaalsContact O-N 3.13Å; Y210-L213 PolarHBondContact O-N 3.07Å; Y210-L213 VanDerWaalsContact O-N 3.11Å; L213-L216 HydrophobicContact CD2-CD1 4.41Å; L213-L216 PolarHBondContact O-N 3.2Å; L213-D217 PolarHBondContact O-N 3.45Å
214D96.6Very high95.7Very high88 Ų8875.2 Ų75.247%0.47138%0.378SS..Hα-helixtrans-66.7-40.9174.9-165.858.8000111.2Y210 N211 L216 D217 P218Y210-D214 HydrophobicContact CE1-CB 4.13Å; Y210-D214 WeakPolarHBondContact O-CB 3.22Å; Y210-D214 PolarHBondContact O-N 3.18Å; N211-D214 PolarHBondContact O-N 3.32Å; D214-L216 PolarHBondContact O-N 3.38Å; D214-D217 PolarHBondContact O-N 2.65Å; D214-P218 WeakPolarHBondContact O-CD 3.46Å
215E95Very high95.6Very high150 Ų15075.4 Ų75.470%0.70138%0.382SS*.Hα-helixtrans-62.9-29.4172.7-74176-168.900112.9N211 L212N211-E215 WeakPolarHBondContact O-CG 3.43Å; N211-E215 PolarHBondContact O-N 2.99Å; L212-E215 PolarHBondContact O-N 3.22Å
216L93.8Very high95.5Very high31 Ų3177.8 Ų77.816%0.16239%0.393CS..Hα-helixtrans-85.7-19.6179.2-67.6164.4000114S89 L212 L213 D214 Y219 M220S89-L216 WeakPolarHBondContact OG-CD1 3.5Å; S89-L216 WeakPolarHBondContact OG-CD2 3.36Å; L212-L216 HydrophobicContact CD1-CD1 4.43Å; L212-L216 HydrophobicContact CG-CD1 4.22Å; L212-L216 WeakPolarHBondContact O-CD1 3.43Å; L212-L216 VanDerWaalsContact O-CG 3.25Å; L212-L216 WeakPolarHBondContact O-CG 3.43Å; L212-L216 PolarHBondContact O-N 3.17Å; L213-L216 HydrophobicContact CD2-CD1 4.41Å; L213-L216 PolarHBondContact O-N 3.2Å; D214-L216 PolarHBondContact O-N 3.38Å; L216-Y219 WeakPolarHBondContact O-CB 3.46Å; L216-Y219 PolarHBondContact O-N 2.98Å; L216-Y219 VanDerWaalsContact O-N 3.08Å; L216-M220 HydrophobicContact CB-CE 4.44Å; L216-M220 PolarHBondContact O-N 2.93Å
217D94.6Very high95.3Very high55 Ų5575.6 Ų75.629%0.29439%0.387SS..Hα-helixtrans-55.2-45.5-176.2173.978.9000113.8L213 D214 Y219 M220 K221L213-D217 PolarHBondContact O-N 3.45Å; D214-D217 PolarHBondContact O-N 2.65Å; D217-Y219 VanDerWaalsContact C-N 3.27Å; D217-Y219 PolarHBondContact O-N 3.45Å; D217-M220 HydrophobicContact CB-CE 4.44Å; D217-M220 PolarHBondContact O-N 3.05Å; D217-K221 WeakPolarHBondContact O-CG 3.45Å; D217-K221 PolarHBondContact O-N 3.43Å; D217-K221 WeakPolarHBondContact OD1-CE 3.42Å; D217-K221 IonicContact OD1-NZ 3.97Å; D217-K221 PolarHBondContact OD1-NZ 3.24Å; D217-K221 VanDerWaalsContact OD2-CE 3.22Å; D217-K221 WeakPolarHBondContact OD2-CE 3.32Å; D217-K221 IonicContact OD2-NZ 2.88Å; D217-K221 PolarHBondContact OD2-NZ 2.99Å
218P95.4Very high95.2Very high85 Ų8576.6 Ų76.655%0.55240%0.395SS*.Hα-helixtrans-60.4-37.2176.8-23.133.7000112.8D214 K222D214-P218 WeakPolarHBondContact O-CD 3.46Å; P218-K222 PolarHBondContact O-N 3.39Å
219Y94.3Very high95.1Very high38 Ų3879 Ų7915%0.14941%0.406CS..Hα-helixtrans-68.6-45.3177.8174.2-102.6000111.4C82 K85 L216 D217 K221 K222 L223C82-Y219 WeakPolarHBondContact CA-OH 3.37Å; K85-Y219 HydrophobicContact CB-CE1 4.32Å; K85-Y219 HydrophobicContact CD-CD1 4.13Å; K85-Y219 HydrophobicContact CD-CD2 4.11Å; K85-Y219 HydrophobicContact CD-CE1 3.8Å; K85-Y219 HydrophobicContact CD-CE2 3.79Å; K85-Y219 HydrophobicContact CD-CG 4.28Å; L216-Y219 WeakPolarHBondContact O-CB 3.46Å; L216-Y219 PolarHBondContact O-N 2.98Å; L216-Y219 VanDerWaalsContact O-N 3.08Å; D217-Y219 VanDerWaalsContact C-N 3.27Å; D217-Y219 PolarHBondContact O-N 3.45Å; Y219-K221 VanDerWaalsContact C-N 3.29Å; Y219-K221 PolarHBondContact O-N 3Å; Y219-K222 WeakPolarHBondContact O-CB 3.4Å; Y219-K222 PolarHBondContact O-N 3.42Å; Y219-K222 VanDerWaalsContact O-N 3.16Å; Y219-L223 HydrophobicContact CE1-CD2 4.46Å; Y219-L223 WeakPolarHBondContact O-CB 3.34Å; Y219-L223 PolarHBondContact O-N 2.95Å
220M93.6Very high95Very high96 Ų9682.3 Ų82.347%0.47342%0.421SS..Hα-helixtrans-60.8-39.2177.3-69.2-170.8-68.700112.1L216 D217 L223 A224L216-M220 HydrophobicContact CB-CE 4.44Å; L216-M220 PolarHBondContact O-N 2.93Å; D217-M220 HydrophobicContact CB-CE 4.44Å; D217-M220 PolarHBondContact O-N 3.05Å; M220-L223 PolarHBondContact O-N 2.96Å; M220-A224 WeakPolarHBondContact O-CB 3.43Å; M220-A224 PolarHBondContact O-N 2.89Å
221K95Very high95Very high132 Ų13280 Ų8057%0.57442%0.421SS*.Hα-helixtrans-64.5-42174.5-74.4172.3177.7161.20112.4D217 Y219 A224 A225D217-K221 WeakPolarHBondContact O-CG 3.45Å; D217-K221 PolarHBondContact O-N 3.43Å; D217-K221 WeakPolarHBondContact OD1-CE 3.42Å; D217-K221 IonicContact OD1-NZ 3.97Å; D217-K221 PolarHBondContact OD1-NZ 3.24Å; D217-K221 VanDerWaalsContact OD2-CE 3.22Å; D217-K221 WeakPolarHBondContact OD2-CE 3.32Å; D217-K221 IonicContact OD2-NZ 2.88Å; D217-K221 PolarHBondContact OD2-NZ 2.99Å; Y219-K221 VanDerWaalsContact C-N 3.29Å; Y219-K221 PolarHBondContact O-N 3Å; K221-A224 PolarHBondContact O-N 2.96Å; K221-A225 PolarHBondContact O-N 3.1Å
222K94.4Very high94.9Very high116 Ų11680.9 Ų80.950%0.50443%0.425SS..Hα-helixtrans-61-49.2174.6-177-174169.6-162.70110.9P218 Y219 A224 A225 E226P218-K222 PolarHBondContact O-N 3.39Å; Y219-K222 WeakPolarHBondContact O-CB 3.4Å; Y219-K222 PolarHBondContact O-N 3.42Å; Y219-K222 VanDerWaalsContact O-N 3.16Å; K222-A224 VanDerWaalsContact C-N 3.31Å; K222-A224 PolarHBondContact O-N 3.21Å; K222-A225 PolarHBondContact O-N 2.98Å; K222-E226 WeakPolarHBondContact CE-OE1 3.46Å; K222-E226 IonicContact NZ-OE1 3.05Å; K222-E226 WeakPolarHBondContact O-CG 3.49Å; K222-E226 PolarHBondContact O-N 3.18Å
223L93.9Very high94.8Very high40 Ų4085.4 Ų85.421%0.20945%0.445CS..Hα-helixtrans-59.5-40.8179179.566.3000112.1M78 C82 Y219 M220 A225 E226 L227M78-L223 HydrophobicContact CE-CD1 3.99Å; C82-L223 HydrophobicContact CB-CD1 4.43Å; C82-L223 HydrophobicContact CB-CD2 4.38Å; C82-L223 WeakPolarHBondContact SG-CD2 3.41Å; Y219-L223 HydrophobicContact CE1-CD2 4.46Å; Y219-L223 WeakPolarHBondContact O-CB 3.34Å; Y219-L223 PolarHBondContact O-N 2.95Å; M220-L223 PolarHBondContact O-N 2.96Å; L223-A225 PolarHBondContact O-N 2.9Å; L223-E226 PolarHBondContact O-N 3.22Å; L223-L227 WeakPolarHBondContact O-CB 3.4Å; L223-L227 PolarHBondContact O-N 3.04Å
224A94.6Very high94.9Very high52 Ų5284.7 Ų84.743%0.4345%0.448SS..Hα-helixtrans-60.6-43.9176.400000112M220 K221 K222 L227 D228M220-A224 WeakPolarHBondContact O-CB 3.43Å; M220-A224 PolarHBondContact O-N 2.89Å; K221-A224 PolarHBondContact O-N 2.96Å; K222-A224 VanDerWaalsContact C-N 3.31Å; K222-A224 PolarHBondContact O-N 3.21Å; A224-L227 PolarHBondContact O-N 3.22Å; A224-D228 PolarHBondContact O-N 3.19Å; A224-D228 VanDerWaalsContact O-N 3.07Å
225A95.3Very high94.9Very high54 Ų5483.4 Ų83.445%0.44645%0.449SS..Hα-helixtrans-65.3-39.6176.700000112.3K221 K222 L223 L227 D228 Q229K221-A225 PolarHBondContact O-N 3.1Å; K222-A225 PolarHBondContact O-N 2.98Å; L223-A225 PolarHBondContact O-N 2.9Å; A225-L227 VanDerWaalsContact C-N 3.34Å; A225-D228 PolarHBondContact O-N 3.06Å; A225-Q229 WeakPolarHBondContact O-CG 3.3Å; A225-Q229 PolarHBondContact O-N 3.01Å
226E93.8Very high94.9Very high66 Ų6682.5 Ų82.531%0.30845%0.446SS..Hα-helixtrans-66.7-37176-65.7174156.800111.6M78 K222 L223 Q229 L230M78-E226 HydrophobicContact CE-CB 3.27Å; M78-E226 HydrophobicContact CE-CG 4.18Å; M78-E226 WeakPolarHBondContact CE-OE2 3.45Å; K222-E226 WeakPolarHBondContact CE-OE1 3.46Å; K222-E226 IonicContact NZ-OE1 3.05Å; K222-E226 WeakPolarHBondContact O-CG 3.49Å; K222-E226 PolarHBondContact O-N 3.18Å; L223-E226 PolarHBondContact O-N 3.22Å; E226-Q229 PolarHBondContact O-N 3.5Å; E226-L230 WeakPolarHBondContact O-CG 3.05Å; E226-L230 PolarHBondContact O-N 3.07Å
227L94.6Very high94.9Very high100 Ų10086 Ų8652%0.52446%0.462SS..Hα-helixtrans-62.6-42.7174.8-176.463.4000111.9L223 A224 A225 Q229 L230 V231L223-L227 WeakPolarHBondContact O-CB 3.4Å; L223-L227 PolarHBondContact O-N 3.04Å; A224-L227 PolarHBondContact O-N 3.22Å; A225-L227 VanDerWaalsContact C-N 3.34Å; L227-Q229 VanDerWaalsContact C-N 3.29Å; L227-Q229 PolarHBondContact O-N 3.29Å; L227-L230 PolarHBondContact O-N 3.44Å; L227-V231 WeakPolarHBondContact O-CG2 3.42Å; L227-V231 PolarHBondContact O-N 3.4Å
228D95.3Very high94.9Very high101 Ų10189.7 Ų89.754%0.5448%0.475SS..Hα-helixtrans-59.4-41175-74.9-23.6000111.5A224 A225 V231 I232A224-D228 PolarHBondContact O-N 3.19Å; A224-D228 VanDerWaalsContact O-N 3.07Å; A225-D228 PolarHBondContact O-N 3.06Å; D228-V231 PolarHBondContact O-N 3.31Å; D228-I232 WeakPolarHBondContact O-CG1 3.17Å; D228-I232 PolarHBondContact O-N 3.16Å
229Q94.6Very high95Very high125 Ų12594.9 Ų94.958%0.58448%0.484SS*.Hα-helixtrans-64.6-41.4175.2-65.3-54.6-49.500112.3A225 E226 L227 V231 I232 H233A225-Q229 WeakPolarHBondContact O-CG 3.3Å; A225-Q229 PolarHBondContact O-N 3.01Å; E226-Q229 PolarHBondContact O-N 3.5Å; L227-Q229 VanDerWaalsContact C-N 3.29Å; L227-Q229 PolarHBondContact O-N 3.29Å; Q229-V231 VanDerWaalsContact C-N 3.32Å; Q229-V231 PolarHBondContact O-N 3.15Å; Q229-I232 PolarHBondContact O-N 3.36Å; Q229-H233 WeakPolarHBondContact O-CB 3.38Å; Q229-H233 PolarHBondContact O-N 3.4Å
230L94.4Very high95Very high83 Ų8398 Ų9844%0.43550%0.5SS..Hα-helixtrans-62.4-39176.9-73.8177.1000112.2M78 E226 L227 I232 H233 S234M78-L230 HydrophobicContact CE-CD1 4Å; M78-L230 HydrophobicContact SD-CD1 3.7Å; E226-L230 WeakPolarHBondContact O-CG 3.05Å; E226-L230 PolarHBondContact O-N 3.07Å; L227-L230 PolarHBondContact O-N 3.44Å; L230-I232 VanDerWaalsContact C-N 3.34Å; L230-H233 PolarHBondContact O-N 3.05Å; L230-S234 VanDerWaalsContact O-CB 3.28Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 3.06Å
231V96.7Very high95Very high92 Ų9298.6 Ų98.656%0.55850%0.503SS*.Hα-helixtrans-62.5-43.6176.1171.40000110.8L227 D228 Q229 A235L227-V231 WeakPolarHBondContact O-CG2 3.42Å; L227-V231 PolarHBondContact O-N 3.4Å; D228-V231 PolarHBondContact O-N 3.31Å; Q229-V231 VanDerWaalsContact C-N 3.32Å; Q229-V231 PolarHBondContact O-N 3.15Å; V231-A235 WeakPolarHBondContact O-CB 3.32Å; V231-A235 PolarHBondContact O-N 3.36Å
232I96.3Very high94.9Very high88 Ų8897.5 Ų97.545%0.45150%0.5SS..Hα-helixtrans-63.9-48.4177-64.8165.5000110.4D228 Q229 L230 S234 A235 M236D228-I232 WeakPolarHBondContact O-CG1 3.17Å; D228-I232 PolarHBondContact O-N 3.16Å; Q229-I232 PolarHBondContact O-N 3.36Å; L230-I232 VanDerWaalsContact C-N 3.34Å; I232-S234 PolarHBondContact O-N 3.25Å; I232-A235 PolarHBondContact O-N 2.96Å; I232-M236 HydrophobicContact CG2-SD 4.12Å; I232-M236 WeakPolarHBondContact O-CG 3.25Å; I232-M236 PolarHBondContact O-N 3.3Å
233H94.5Very high94.9Very high116 Ų11698.1 Ų98.154%0.53750%0.504SS..Hα-helixtrans-60.2-45.7179.8-178-123.4000111.7Q229 L230 A235 M236 E237Q229-H233 WeakPolarHBondContact O-CB 3.38Å; Q229-H233 PolarHBondContact O-N 3.4Å; L230-H233 PolarHBondContact O-N 3.05Å; H233-A235 VanDerWaalsContact C-N 3.33Å; H233-A235 PolarHBondContact O-N 3.43Å; H233-M236 PolarHBondContact O-N 3.35Å; H233-E237 WeakPolarHBondContact O-CB 3.38Å; H233-E237 PolarHBondContact O-N 3.24Å
234S95.6Very high94.8Very high71 Ų71100.9 Ų100.950%0.49752%0.515SS..Hα-helixtrans-60-40.8176.5-177.20000112.4L230 I232 K238L230-S234 VanDerWaalsContact O-CB 3.28Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 3.06Å; I232-S234 PolarHBondContact O-N 3.25Å; S234-K238 VanDerWaalsContact O-CB 3.27Å; S234-K238 WeakPolarHBondContact O-CB 3.47Å; S234-K238 PolarHBondContact O-N 3.45Å
235A96.6Very high94.5Very high61 Ų61104.4 Ų104.450%0.50452%0.522SS..Hα-helixtrans-66.4-39.5176.600000112.5V231 I232 H233 R239V231-A235 WeakPolarHBondContact O-CB 3.32Å; V231-A235 PolarHBondContact O-N 3.36Å; I232-A235 PolarHBondContact O-N 2.96Å; H233-A235 VanDerWaalsContact C-N 3.33Å; H233-A235 PolarHBondContact O-N 3.43Å; A235-R239 PolarHBondContact O-N 3.45Å; A235-R239 VanDerWaalsContact O-N 3.1Å
236M95.9Very high94.2Very high130 Ų130104.1 Ų104.164%0.6452%0.519SS*.Hα-helixtrans-64.8-48.6175.4-71.4179.962.700111.7I232 H233 K238 R239 E240I232-M236 HydrophobicContact CG2-SD 4.12Å; I232-M236 WeakPolarHBondContact O-CG 3.25Å; I232-M236 PolarHBondContact O-N 3.3Å; H233-M236 PolarHBondContact O-N 3.35Å; M236-K238 PolarHBondContact O-N 2.77Å; M236-R239 PolarHBondContact O-N 2.99Å; M236-E240 PolarHBondContact O-N 3.48Å
237E94.4Very high93.9Very high106 Ų106103 Ų10350%0.49552%0.517SS..Hα-helixtrans-61.4-43.9178.9-175.3176.7-155.600111.1H233 R239 E240 M241H233-E237 WeakPolarHBondContact O-CB 3.38Å; H233-E237 PolarHBondContact O-N 3.24Å; E237-R239 VanDerWaalsContact C-N 3.35Å; E237-R239 PolarHBondContact O-N 3.31Å; E237-E240 PolarHBondContact O-N 2.89Å; E237-M241 HydrophobicContact CG-CG 4.41Å; E237-M241 WeakPolarHBondContact O-CB 3.45Å; E237-M241 VanDerWaalsContact O-CG 3.29Å; E237-M241 WeakPolarHBondContact O-CG 3.36Å; E237-M241 PolarHBondContact O-N 3.06Å
238K94.4Very high93.3Very high131 Ų131103.4 Ų103.457%0.5752%0.519SS*.Hα-helixtrans-56.1-48.9174.2178.1178.8171.9-178.80111.4S234 M236 E240 M241 E242S234-K238 VanDerWaalsContact O-CB 3.27Å; S234-K238 WeakPolarHBondContact O-CB 3.47Å; S234-K238 PolarHBondContact O-N 3.45Å; M236-K238 PolarHBondContact O-N 2.77Å; K238-E240 VanDerWaalsContact C-N 3.33Å; K238-E240 PolarHBondContact O-N 3.13Å; K238-M241 PolarHBondContact O-N 3.49Å; K238-E242 WeakPolarHBondContact CE-OE1 3.47Å; K238-E242 HydrophobicContact CG-CG 4.49Å; K238-E242 IonicContact NZ-OE1 2.84Å; K238-E242 WeakPolarHBondContact O-CB 3.46Å; K238-E242 WeakPolarHBondContact O-CG 3.38Å; K238-E242 PolarHBondContact O-N 2.91Å
239R96.4Very high92.7Very high195 Ų195103.6 Ų103.674%0.73652%0.516SS*.Hα-helixtrans-61.9-41.4179.7-175.8-179.1-179.2179.50.9111.8A235 M236 E237 H243A235-R239 PolarHBondContact O-N 3.45Å; A235-R239 VanDerWaalsContact O-N 3.1Å; M236-R239 PolarHBondContact O-N 2.99Å; E237-R239 VanDerWaalsContact C-N 3.35Å; E237-R239 PolarHBondContact O-N 3.31Å; R239-H243 PolarHBondContact O-N 3.41Å
240E95.3Very high92Very high103 Ų103103.5 Ų103.548%0.48152%0.516SS..Hα-helixtrans-63.6-45176.3-170.7-172.3164.100111.4M236 E237 K238 H243 K244M236-E240 PolarHBondContact O-N 3.48Å; E237-E240 PolarHBondContact O-N 2.89Å; K238-E240 VanDerWaalsContact C-N 3.33Å; K238-E240 PolarHBondContact O-N 3.13Å; E240-H243 PolarHBondContact O-N 3.3Å; E240-K244 HydrophobicContact CG-CD 4.47Å; E240-K244 WeakPolarHBondContact O-CG 3.43Å; E240-K244 PolarHBondContact O-N 2.96Å; E240-K244 WeakPolarHBondContact OE1-CE 3.48Å; E240-K244 IonicContact OE1-NZ 2.73Å; E240-K244 PolarHBondContact OE1-NZ 3.46Å
241M92.3Very high91Very high108 Ų108107.3 Ų107.353%0.53253%0.525SS..Hα-helixtrans-63.7-40.7178-73.1-62.3-70.600112.2E237 K238 H243 K244 H245E237-M241 HydrophobicContact CG-CG 4.41Å; E237-M241 WeakPolarHBondContact O-CB 3.45Å; E237-M241 VanDerWaalsContact O-CG 3.29Å; E237-M241 WeakPolarHBondContact O-CG 3.36Å; E237-M241 PolarHBondContact O-N 3.06Å; K238-M241 PolarHBondContact O-N 3.49Å; M241-H243 VanDerWaalsContact C-N 3.34Å; M241-H243 PolarHBondContact O-N 2.97Å; M241-K244 PolarHBondContact O-N 3.49Å; M241-K244 HydrophobicContact SD-CD 4.31Å; M241-H245 VanDerWaalsContact O-CB 3.27Å; M241-H245 WeakPolarHBondContact O-CB 3.46Å; M241-H245 PolarHBondContact O-N 3.07Å
242E94.1Very high89.6Confident110 Ų110107.1 Ų107.151%0.51452%0.524SS..Hα-helixtrans-61.6-41.2173.2-74.8172.717200111.6K238 H245 A246K238-E242 WeakPolarHBondContact CE-OE1 3.47Å; K238-E242 HydrophobicContact CG-CG 4.49Å; K238-E242 IonicContact NZ-OE1 2.84Å; K238-E242 WeakPolarHBondContact O-CB 3.46Å; K238-E242 WeakPolarHBondContact O-CG 3.38Å; K238-E242 PolarHBondContact O-N 2.91Å; E242-H245 PolarHBondContact O-N 3.31Å; E242-A246 WeakPolarHBondContact O-CB 3.46Å; E242-A246 PolarHBondContact O-N 3.42Å
243H94.4Very high88.2Confident129 Ų129109.4 Ų109.460%0.59754%0.536SS*.Hα-helixtrans-66.3-44176.4-177.364000112.5R239 E240 M241 H245 A246 T247R239-H243 PolarHBondContact O-N 3.41Å; E240-H243 PolarHBondContact O-N 3.3Å; M241-H243 VanDerWaalsContact C-N 3.34Å; M241-H243 PolarHBondContact O-N 2.97Å; H243-H245 VanDerWaalsContact C-N 3.34Å; H243-A246 PolarHBondContact O-N 2.94Å; H243-T247 PolarHBondContact O-N 2.98Å; H243-T247 PolarHBondContact O-OG1 3.41Å
244K91.6Very high86.6Confident98 Ų98111.4 Ų111.443%0.42655%0.547SS..Hα-helixtrans-59.8-45.9173.9-74.7174.1-177.1165.20111E240 M241 T247 I248E240-K244 HydrophobicContact CG-CD 4.47Å; E240-K244 WeakPolarHBondContact O-CG 3.43Å; E240-K244 PolarHBondContact O-N 2.96Å; E240-K244 WeakPolarHBondContact OE1-CE 3.48Å; E240-K244 IonicContact OE1-NZ 2.73Å; E240-K244 PolarHBondContact OE1-NZ 3.46Å; M241-K244 PolarHBondContact O-N 3.49Å; M241-K244 HydrophobicContact SD-CD 4.31Å; K244-T247 PolarHBondContact O-N 3.02Å; K244-I248 WeakPolarHBondContact O-CG1 3.06Å; K244-I248 PolarHBondContact O-N 3.17Å
245H87.7Confident84.6Confident126 Ų126112.1 Ų112.158%0.58354%0.543SS*.Hα-helixtrans-58.4-48.9177.5179.9-88.9000111.5M241 E242 H243 T247 I248 Q249M241-H245 VanDerWaalsContact O-CB 3.27Å; M241-H245 WeakPolarHBondContact O-CB 3.46Å; M241-H245 PolarHBondContact O-N 3.07Å; E242-H245 PolarHBondContact O-N 3.31Å; H243-H245 VanDerWaalsContact C-N 3.34Å; H245-T247 VanDerWaalsContact C-N 3.32Å; H245-T247 PolarHBondContact O-N 3.38Å; H245-I248 PolarHBondContact O-N 3.11Å; H245-Q249 WeakPolarHBondContact O-CB 3.32Å; H245-Q249 PolarHBondContact O-N 3.33Å
246A90.2Very high82.1Confident48 Ų48116.1 Ų116.140%0.39756%0.556SS.*Hα-helixtrans-60.3-40.417700000112.4E242 H243 Q249 Q250E242-A246 WeakPolarHBondContact O-CB 3.46Å; E242-A246 PolarHBondContact O-N 3.42Å; H243-A246 PolarHBondContact O-N 2.94Å; A246-Q249 PolarHBondContact O-N 3.27Å; A246-Q250 WeakPolarHBondContact O-CB 3.35Å; A246-Q250 PolarHBondContact O-N 3.49Å
247T86.1Confident79.9Confident43 Ų43119.5 Ų119.526%0.26457%0.567SS.*Hα-helixtrans-65.2-44.1178.2-57.30000112.1H243 K244 H245 Q250 R251H243-T247 PolarHBondContact O-N 2.98Å; H243-T247 PolarHBondContact O-OG1 3.41Å; K244-T247 PolarHBondContact O-N 3.02Å; H245-T247 VanDerWaalsContact C-N 3.32Å; H245-T247 PolarHBondContact O-N 3.38Å; T247-Q250 PolarHBondContact O-N 3.01Å; T247-R251 WeakPolarHBondContact O-CG 3.48Å; T247-R251 PolarHBondContact O-N 2.88Å
248I82.9Confident77.8Confident107 Ų107118.7 Ų118.755%0.54957%0.573SS.*Hα-helixtrans-64.4-43.6176.8-67.8168000110.1K244 H245 Q250 R251 T252K244-I248 WeakPolarHBondContact O-CG1 3.06Å; K244-I248 PolarHBondContact O-N 3.17Å; H245-I248 PolarHBondContact O-N 3.11Å; I248-Q250 VanDerWaalsContact C-N 3.34Å; I248-Q250 PolarHBondContact O-N 3.17Å; I248-R251 PolarHBondContact O-N 3.26Å; I248-T252 WeakPolarHBondContact O-CB 3.36Å; I248-T252 PolarHBondContact O-N 2.98Å; I248-T252 PolarHBondContact O-OG1 3.37Å
249Q82.3Confident75.5Confident106 Ų106119.2 Ų119.250%0.49557%0.573SS.*Hα-helixtrans-60.1-44.6177.5-172.1176.59.500111.3H245 A246 T252 L253H245-Q249 WeakPolarHBondContact O-CB 3.32Å; H245-Q249 PolarHBondContact O-N 3.33Å; A246-Q249 PolarHBondContact O-N 3.27Å; Q249-T252 PolarHBondContact O-N 3.16Å; Q249-L253 HydrophobicContact CG-CD1 3.95Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 VanDerWaalsContact O-CG 3.26Å; Q249-L253 WeakPolarHBondContact O-CG 3.41Å; Q249-L253 PolarHBondContact O-N 3.08Å
250Q80Confident73.1Confident122 Ų122116.1 Ų116.157%0.5757%0.571SS**Hα-helixtrans-65.1-41177.4-169.8173.85.100112.4A246 T247 I248 L253 M254A246-Q250 WeakPolarHBondContact O-CB 3.35Å; A246-Q250 PolarHBondContact O-N 3.49Å; T247-Q250 PolarHBondContact O-N 3.01Å; I248-Q250 VanDerWaalsContact C-N 3.34Å; I248-Q250 PolarHBondContact O-N 3.17Å; Q250-L253 PolarHBondContact O-N 2.61Å; Q250-M254 HydrophobicContact CG-CG 4.48Å; Q250-M254 WeakPolarHBondContact O-CB 3.4Å; Q250-M254 WeakPolarHBondContact O-CG 3.42Å; Q250-M254 PolarHBondContact O-N 3.19Å
251R74.2Confident70.9Confident164 Ų164114.9 Ų114.962%0.61957%0.568SS**Hα-helixtrans-62.2-43.8173.9-75-178.1-171.3170.83.7112.2T247 I248 L253 M254 Q255T247-R251 WeakPolarHBondContact O-CG 3.48Å; T247-R251 PolarHBondContact O-N 2.88Å; I248-R251 PolarHBondContact O-N 3.26Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-L253 PolarHBondContact O-N 2.64Å; R251-M254 PolarHBondContact O-N 2.88Å; R251-Q255 WeakPolarHBondContact O-CB 3.39Å; R251-Q255 PolarHBondContact O-N 2.9Å
252T67.1Low68.9Low88 Ų88113.1 Ų113.154%0.5457%0.566SS.*Hα-helixtrans-66.9-31.9-180-49.70000112I248 Q249I248-T252 WeakPolarHBondContact O-CB 3.36Å; I248-T252 PolarHBondContact O-N 2.98Å; I248-T252 PolarHBondContact O-OG1 3.37Å; Q249-T252 PolarHBondContact O-N 3.16Å
253L66.4Low66.9Low136 Ų136116 Ų11671%0.71258%0.577SS**Hα-helixtrans-82.8-28.6178.1-71.6170.6000113.9Q249 Q250 R251Q249-L253 HydrophobicContact CG-CD1 3.95Å; Q249-L253 WeakPolarHBondContact O-CB 3.35Å; Q249-L253 VanDerWaalsContact O-CG 3.26Å; Q249-L253 WeakPolarHBondContact O-CG 3.41Å; Q249-L253 PolarHBondContact O-N 3.08Å; Q250-L253 PolarHBondContact O-N 2.61Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-L253 PolarHBondContact O-N 2.64Å
254M61.6Low65.2Low157 Ų157112 Ų11277%0.77356%0.561SS**Hα-helixtrans-91.2-17.1179.8-70.3-151.4125.400114.2Q250 R251Q250-M254 HydrophobicContact CG-CG 4.48Å; Q250-M254 WeakPolarHBondContact O-CB 3.4Å; Q250-M254 WeakPolarHBondContact O-CG 3.42Å; Q250-M254 PolarHBondContact O-N 3.19Å; R251-M254 PolarHBondContact O-N 2.88Å
255Q52.1Low63.8Low87 Ų87115.3 Ų115.341%0.40758%0.578SS.*SBendtrans-92.6112.1171.1-76.5174.1-20.900108.9R251 F257R251-Q255 WeakPolarHBondContact O-CB 3.39Å; R251-Q255 PolarHBondContact O-N 2.9Å; Q255-F257 PolarHBondContact O-N 3.25Å
256D43.6Very low62.8Low144 Ų144112.4 Ų112.477%0.7756%0.564SS**  trans-45.5138.4150.3-87.4-33.9000107.2S258D256-S258 PolarHBondContact O-N 2.98Å
257F49.9Very low62Low201 Ų201114 Ų11488%0.88257%0.566SS**THydrogen-bonded Turntrans-53.711.1-175.1-76.8-93.4000115.8Q255Q255-F257 PolarHBondContact O-N 3.25Å
258S50.6Low61Low89 Ų89114 Ų11462%0.62257%0.566SS**THydrogen-bonded Turntrans-943.7-179.8108.80000115.2D256 D261D256-S258 PolarHBondContact O-N 2.98Å; S258-D261 WeakPolarHBondContact O-CB 3.45Å
259Y46.3Very low60.2Low143 Ų143115.6 Ų115.656%0.56158%0.575SS**SBendtrans-99.7-12.6178.3-162.4-96.7000115.4D261 S262Y259-D261 PolarHBondContact O-N 3.44Å; Y259-D261 VanDerWaalsContact O-N 3.14Å; Y259-S262 PolarHBondContact O-N 3.03Å
260D47Very low59.6Low130 Ų130111.4 Ų111.470%0.69556%0.559SS**G310 helixtrans-66.4-9.1164.4-161.328.7000111.9S262 K263D260-S262 PolarHBondContact O-N 3.07Å; D260-S262 VanDerWaalsContact O-N 3.15Å; D260-K263 PolarHBondContact O-N 3.04Å
261D48.7Very low58.7Low77 Ų77112.2 Ų112.241%0.41257%0.574SS.*G310 helixtrans-64-16176.8-136.541.6000112.5S258 Y259 K354S258-D261 WeakPolarHBondContact O-CB 3.45Å; Y259-D261 PolarHBondContact O-N 3.44Å; Y259-D261 VanDerWaalsContact O-N 3.14Å; D261-K354 VanDerWaalsContact CG-CD 3.45Å; D261-K354 VanDerWaalsContact O-CE 3.25Å; D261-K354 WeakPolarHBondContact O-CE 3.48Å; D261-K354 PolarHBondContact O-NZ 3.23Å; D261-K354 WeakPolarHBondContact OD1-CD 3.19Å; D261-K354 IonicContact OD1-NZ 2.8Å; D261-K354 PolarHBondContact OD1-NZ 3.36Å; D261-K354 IonicContact OD2-NZ 3.77Å; D261-K354 PolarHBondContact OD2-NZ 3.43Å
262S49.6Very low58.1Low71 Ų71108.7 Ų108.750%0.49758%0.575SS.*G310 helixtrans-93.8-2.7-175.5-420000115Y259 D260Y259-S262 PolarHBondContact O-N 3.03Å; D260-S262 PolarHBondContact O-N 3.07Å; D260-S262 VanDerWaalsContact O-N 3.15Å
263K53.4Low58.1Low171 Ų171105.9 Ų105.974%0.74356%0.563SS**  trans-130.826.7-170.6-86.4-169.1175.1-170.70115.2D260 E265D260-K263 PolarHBondContact O-N 3.04Å; K263-E265 PolarHBondContact O-N 3.04Å
264V58.1Low58.5Low43 Ų43101 Ų10126%0.26154%0.539SS..  trans-82.863.8165.9-162.50000108.8M276 L355 A358V264-M276 HydrophobicContact CG1-CE 3.64Å; V264-L355 HydrophobicContact CG1-CD2 3.94Å; V264-L355 HydrophobicContact CG2-CD2 3.94Å; V264-A358 HydrophobicContact CB-CB 4.31Å; V264-A358 HydrophobicContact CG1-CB 3.4Å
265E61.7Low59.5Low169 Ų16994.3 Ų94.379%0.7951%0.507SS*.  trans-90.6116.1175.4-72.7-177.7168.600108.7K263K263-E265 PolarHBondContact O-N 3.04Å
266F66.7Low61.2Low65 Ų6591 Ų9129%0.28549%0.492SS..  trans-91.4137.616462.6-88.7000108V268 V275 M276 Q361 A362 A365F266-V268 HydrophobicContact CD2-CG2 4.25Å; F266-V268 HydrophobicContact CE2-CG2 4.45Å; F266-V275 WeakPolarHBondContact CA-O 3.49Å; F266-V275 HydrophobicContact CB-CG1 4.45Å; F266-V275 WeakPolarHBondContact CB-O 3.33Å; F266-M276 HydrophobicContact CB-CB 4.24Å; F266-M276 HydrophobicContact CB-SD 4.45Å; F266-Q361 HydrophobicContact CE1-CB 3.88Å; F266-Q361 HydrophobicContact CZ-CB 3.97Å; F266-A362 HydrophobicContact CB-CB 3.82Å; F266-A362 HydrophobicContact CD1-CB 4.26Å; F266-A362 HydrophobicContact CD2-CB 4.18Å; F266-A362 HydrophobicContact CG-CB 3.83Å; F266-A365 HydrophobicContact CD2-CB 4.48Å; F266-A365 HydrophobicContact CE2-CB 3.89Å
267N73.3Confident63.4Low81 Ų8189.5 Ų89.543%0.43348%0.48SS..  trans-126.2107.5178.4-176-0.3000109.3D269 A270 V275N267-D269 PolarHBondContact O-N 2.79Å; N267-D269 WeakPolarHBondContact OD1-CA 3.33Å; N267-D269 PolarHBondContact OD1-N 2.96Å; N267-A270 HydrophobicContact CB-CB 4.15Å; N267-A270 WeakPolarHBondContact O-CB 3.49Å; N267-A270 PolarHBondContact O-N 3.02Å; N267-A270 PolarHBondContact OD1-N 3.09Å; N267-V275 PolarHBondContact N-O 2.83Å; N267-V275 VanDerWaalsContact N-O 3.16Å; N267-V275 WeakPolarHBondContact O-CA 3.42Å
268V65.4Low65.3Low43 Ų4380.5 Ų80.526%0.26144%0.444SS..THydrogen-bonded Turntrans-66.1-26.2-180-173.10000111.3F266 V275 A365F266-V268 HydrophobicContact CD2-CG2 4.25Å; F266-V268 HydrophobicContact CE2-CG2 4.45Å; V268-V275 HydrophobicContact CG2-CG1 4.06Å; V268-A365 HydrophobicContact CG2-CB 3.7Å
269D65.8Low67.2Low140 Ų14081.6 Ų81.675%0.74944%0.435SS*.THydrogen-bonded Turntrans-102.222.1-179.6-55.3-45.3000112.2N267N267-D269 PolarHBondContact O-N 2.79Å; N267-D269 WeakPolarHBondContact OD1-CA 3.33Å; N267-D269 PolarHBondContact OD1-N 2.96Å
270A70.7Confident69.4Low18 Ų1874.8 Ų74.815%0.14941%0.409CS..  trans-59130.9-179.300000110.9N267 S272 G273 V274N267-A270 HydrophobicContact CB-CB 4.15Å; N267-A270 WeakPolarHBondContact O-CB 3.49Å; N267-A270 PolarHBondContact O-N 3.02Å; N267-A270 PolarHBondContact OD1-N 3.09Å; A270-S272 PolarHBondContact O-N 2.76Å; A270-G273 PolarHBondContact O-N 3.09Å; A270-V274 WeakPolarHBondContact CB-O 3.38Å
271P59.8Low71.6Confident139 Ų13971.4 Ų71.490%0.90339%0.388SS*.THydrogen-bonded Turntrans-59.3-20.2178.5-23.231.5000114.1G273P271-G273 VanDerWaalsContact C-N 3.32Å
272S63.4Low73.6Confident90 Ų9069.9 Ų69.963%0.62938%0.378SS*.THydrogen-bonded Turntrans-78-12.3176.356.40000113.9A270 V274A270-S272 PolarHBondContact O-N 2.76Å; S272-V274 PolarHBondContact O-N 2.9Å; S272-V274 PolarHBondContact OG-N 2.86Å
273G65.9Low75.5Confident29 Ų2969.9 Ų69.930%0.29937%0.367SS..SBendtrans72.11.7-171.800000114.6A270 P271 Q299A270-G273 PolarHBondContact O-N 3.09Å; P271-G273 VanDerWaalsContact C-N 3.32Å; G273-Q299 WeakPolarHBondContact O-CA 3.37Å
274V76.1Confident76.9Confident34 Ų3462.7 Ų62.721%0.20634%0.339CS..EExtended strand (participates in β ladder)trans-99113.7177.2179.40000109.1A270 S272 E277 S297 I298 Q299A270-V274 WeakPolarHBondContact CB-O 3.38Å; S272-V274 PolarHBondContact O-N 2.9Å; S272-V274 PolarHBondContact OG-N 2.86Å; V274-E277 HydrophobicContact CG1-CB 4.2Å; V274-E277 HydrophobicContact CG1-CG 4.41Å; V274-S297 WeakPolarHBondContact CG1-OG 3.38Å; V274-I298 CarbonylContact C-O 3.59Å; V274-I298 WeakPolarHBondContact CA-O 3.31Å; V274-Q299 HydrophobicContact CG2-CB 4.17Å
275V81.8Confident77.7Confident16 Ų1666 Ų6610%0.09736%0.364CS..EExtended strand (participates in β ladder)trans-78.3-40.2-176.1-179.70000111.7F266 N267 V268 I298F266-V275 WeakPolarHBondContact CA-O 3.49Å; F266-V275 HydrophobicContact CB-CG1 4.45Å; F266-V275 WeakPolarHBondContact CB-O 3.33Å; N267-V275 PolarHBondContact N-O 2.83Å; N267-V275 VanDerWaalsContact N-O 3.16Å; N267-V275 WeakPolarHBondContact O-CA 3.42Å; V268-V275 HydrophobicContact CG2-CG1 4.06Å; V275-I298 HydrophobicContact CB-CB 4.17Å; V275-I298 HydrophobicContact CB-CG2 4.04Å; V275-I298 HydrophobicContact CG2-CG2 4.26Å; V275-I298 PolarHBondContact N-O 2.69Å
276M87.4Confident78.2Confident18 Ų1861.5 Ų61.59%0.08935%0.346CS..EExtended strand (participates in β ladder)trans-160.2141.8178.7-169.5175-17200109.8V264 F266 S297 I298 A358 W359 A362V264-M276 HydrophobicContact CG1-CE 3.64Å; F266-M276 HydrophobicContact CB-CB 4.24Å; F266-M276 HydrophobicContact CB-SD 4.45Å; M276-S297 CarbonylContact O-C 3.22Å; M276-S297 WeakPolarHBondContact O-CA 3.39Å; M276-I298 HydrophobicContact CB-CD1 4.27Å; M276-I298 PolarHBondContact O-N 3.34Å; M276-A358 HydrophobicContact CE-CB 3.97Å; M276-W359 HydrophobicContact CB-CH2 4.5Å; M276-W359 HydrophobicContact CB-CZ3 4.31Å; M276-W359 HydrophobicContact CE-CD2 3.84Å; M276-W359 HydrophobicContact CE-CG 3.83Å; M276-W359 HydrophobicContact CE-CZ2 4.38Å; M276-W359 HydrophobicContact CG-CD2 4.36Å; M276-W359 HydrophobicContact CG-CE3 4.28Å; M276-W359 HydrophobicContact CG-CH2 4.09Å; M276-W359 HydrophobicContact CG-CZ2 4.17Å; M276-W359 HydrophobicContact CG-CZ3 4.15Å; M276-W359 HydrophobicContact SD-CB 4.47Å; M276-W359 HydrophobicContact SD-CD2 3.58Å; M276-W359 VanDerWaalsContact SD-CD2 3.58Å; M276-W359 HydrophobicContact SD-CE3 3.76Å; M276-W359 HydrophobicContact SD-CG 3.92Å; M276-W359 HydrophobicContact SD-CZ2 4.39Å; M276-W359 HydrophobicContact SD-CZ3 4.25Å; M276-A362 HydrophobicContact CB-CB 4.05Å; M276-A362 HydrophobicContact CG-CB 4.45Å; M276-A362 HydrophobicContact SD-CB 3.53Å; M276-A362 VanDerWaalsContact SD-CB 3.53Å
277E89.8Confident78Confident113 Ų11363.1 Ų63.153%0.52837%0.371SS..EExtended strand (participates in β ladder)trans-138.7154173.461.2173.8-177.900112.2V274 W295 F296V274-E277 HydrophobicContact CG1-CB 4.2Å; V274-E277 HydrophobicContact CG1-CG 4.41Å; E277-W295 HydrophobicContact CB-CZ2 3.98Å; E277-W295 HydrophobicContact CG-CZ2 3.77Å; E277-W295 PolarHBondContact OE2-NE1 2.93Å; E277-F296 CarbonylContact C-O 3.43Å; E277-F296 WeakPolarHBondContact CA-O 3.36Å
278G89.9Confident77.8Confident12 Ų1267.7 Ų67.712%0.12439%0.387CS..EExtended strand (participates in β ladder)trans159.1176.5179.200000114.1F296G278-F296 PolarHBondContact N-O 3.09Å; G278-F296 PolarHBondContact O-N 3.29Å
279Y90.7Very high78.6Confident111 Ų11171.9 Ų71.944%0.43540%0.402SS..EExtended strand (participates in β ladder)trans-79.9131.6179.1-71.9-76000112.1R293 R294 W295Y279-R293 HydrophobicContact CD1-CG 4.1Å; Y279-R294 WeakPolarHBondContact CA-O 3.01Å; Y279-W295 HydrophobicContact CD1-CB 4.36Å; Y279-W295 HydrophobicContact CD1-CE3 4.06Å; Y279-W295 AromaticContact CD2-CE3 3.51Å; Y279-W295 HydrophobicContact CD2-CE3 3.51Å; Y279-W295 AromaticContact CD2-CZ3 3.58Å; Y279-W295 HydrophobicContact CD2-CZ3 3.58Å; Y279-W295 HydrophobicContact CE1-CB 4.14Å; Y279-W295 AromaticContact CE1-CE3 3.93Å; Y279-W295 HydrophobicContact CE1-CE3 3.93Å; Y279-W295 AromaticContact CE2-CE3 3.35Å; Y279-W295 HydrophobicContact CE2-CE3 3.35Å; Y279-W295 AromaticContact CE2-CZ3 3.44Å; Y279-W295 HydrophobicContact CE2-CZ3 3.44Å; Y279-W295 VanDerWaalsContact CE2-CZ3 3.44Å; Y279-W295 AromaticContact CG-CE3 3.87Å; Y279-W295 HydrophobicContact CG-CE3 3.87Å; Y279-W295 HydrophobicContact CG-CZ3 4.34Å; Y279-W295 AromaticContact CZ-CE3 3.56Å
280L92.9Very high79.5Confident1 Ų168.3 Ų68.31%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-133.6156.3167.2-63.8171.7000110.3R293 R294 F296 F337 L348 A350 W359L280-R293 WeakPolarHBondContact O-CA 3.18Å; L280-R294 PolarHBondContact N-O 3.36Å; L280-R294 PolarHBondContact O-N 3.46Å; L280-R294 VanDerWaalsContact O-O 3.13Å; L280-F296 HydrophobicContact CB-CD2 3.56Å; L280-F296 HydrophobicContact CB-CE2 3.81Å; L280-F296 HydrophobicContact CB-CG 4.28Å; L280-F296 HydrophobicContact CD1-CB 4.14Å; L280-F296 HydrophobicContact CD1-CD2 4.15Å; L280-F296 HydrophobicContact CD1-CG 4.03Å; L280-F296 HydrophobicContact CG-CD2 4.2Å; L280-F296 HydrophobicContact CG-CG 4.49Å; L280-F337 HydrophobicContact CD1-CE1 4.4Å; L280-F337 HydrophobicContact CD1-CZ 3.87Å; L280-F337 HydrophobicContact CD2-CE1 4.25Å; L280-F337 HydrophobicContact CD2-CZ 4.49Å; L280-L348 HydrophobicContact CD1-CD1 4.21Å; L280-A350 HydrophobicContact CD2-CB 3.86Å; L280-W359 HydrophobicContact CD1-CD2 3.75Å; L280-W359 HydrophobicContact CD1-CE3 3.96Å; L280-W359 HydrophobicContact CD1-CG 4.19Å; L280-W359 HydrophobicContact CD1-CH2 4.34Å; L280-W359 HydrophobicContact CD1-CZ2 4.14Å; L280-W359 HydrophobicContact CD1-CZ3 4.24Å; L280-W359 HydrophobicContact CD2-CD2 4.33Å; L280-W359 HydrophobicContact CD2-CG 4.14Å; L280-W359 HydrophobicContact CG-CD2 4.3Å; L280-W359 HydrophobicContact CG-CZ2 4.2Å
281F92.3Very high80.4Confident59 Ų5969.3 Ų69.326%0.25939%0.385SS..EExtended strand (participates in β ladder)trans-92.8130.1168.8-71.2-98.5000109.8W291 N292 R293 L348 Q349F281-W291 HydrophobicContact CB-CE3 3.95Å; F281-N292 CarbonylContact C-O 3.59Å; F281-N292 WeakPolarHBondContact CA-O 3.35Å; F281-R293 HydrophobicContact CD1-CB 3.89Å; F281-R293 HydrophobicContact CD1-CG 4.49Å; F281-R293 HydrophobicContact CD2-CG 4.37Å; F281-R293 HydrophobicContact CE1-CB 3.63Å; F281-R293 HydrophobicContact CE1-CG 4.17Å; F281-R293 HydrophobicContact CE2-CB 4.38Å; F281-R293 HydrophobicContact CE2-CG 4.02Å; F281-R293 HydrophobicContact CG-CB 4.39Å; F281-R293 HydrophobicContact CZ-CB 3.9Å; F281-R293 HydrophobicContact CZ-CG 3.92Å; F281-L348 CarbonylContact O-C 3.56Å; F281-L348 VanDerWaalsContact O-CA 3.25Å; F281-L348 WeakPolarHBondContact O-CA 3.41Å; F281-Q349 HydrophobicContact CB-CB 4.04Å; F281-Q349 PolarHBondContact N-O 3.38Å; F281-Q349 PolarHBondContact O-N 2.96Å
282K91.1Very high81.8Confident45 Ų4565.2 Ų65.220%0.19636%0.356CS..EExtended strand (participates in β ladder)trans-108.5134.7175174.1175.8178.4-113.10111W291 N292 F296 Y305 L348K282-W291 WeakPolarHBondContact O-CA 3.33Å; K282-N292 PolarHBondContact N-O 2.86Å; K282-N292 PolarHBondContact O-N 2.81Å; K282-F296 HydrophobicContact CB-CE2 4.4Å; K282-F296 HydrophobicContact CB-CZ 3.93Å; K282-F296 HydrophobicContact CD-CZ 4.28Å; K282-Y305 HydrophobicContact CD-CD1 4.45Å; K282-Y305 HydrophobicContact CD-CE1 4.11Å; K282-L348 HydrophobicContact CB-CD2 3.82Å; K282-L348 HydrophobicContact CG-CD2 4.14Å
283R89.1Confident83.2Confident71 Ų7166.1 Ų66.127%0.26835%0.345SS..EExtended strand (participates in β ladder)trans-76.9129.1169.2-161169.873.7-178.4-1110K289 W291 D330 M347R283-K289 HydrophobicContact CG-CB 4.39Å; R283-W291 HydrophobicContact CB-CD2 4Å; R283-W291 HydrophobicContact CB-CE3 4.04Å; R283-W291 HydrophobicContact CB-CH2 4.03Å; R283-W291 HydrophobicContact CB-CZ2 3.94Å; R283-W291 HydrophobicContact CB-CZ3 4.05Å; R283-W291 HydrophobicContact CG-CD2 4.27Å; R283-W291 HydrophobicContact CG-CZ2 4.12Å; R283-D330 IonicContact NH1-OD2 3.07Å; R283-M347 HydrophobicContact CB-CB 4.01Å; R283-M347 PolarHBondContact N-O 3.43Å; R283-M347 PolarHBondContact NH1-SD 2.91Å
284A83.3Confident84.5Confident19 Ų1967.4 Ų67.416%0.15734%0.341CS..  trans-68.9145.8173.500000110.3N286 T290A284-N286 WeakPolarHBondContact CB-OD1 3.41Å; A284-N286 PolarHBondContact O-N 2.91Å; A284-T290 WeakPolarHBondContact CB-O 3.48Å; A284-T290 PolarHBondContact N-O 3.11Å
285S74.7Confident85.2Confident112 Ų11268.9 Ų68.978%0.78334%0.343SS*.SBendtrans-84.43.4177.6-48.80000112.9
286N72.7Confident85.7Confident76 Ų7668.1 Ų68.141%0.40634%0.338SS..SBendtrans-77.7163.3178.563.67.3000111.4A284 F288 K289A284-N286 WeakPolarHBondContact CB-OD1 3.41Å; A284-N286 PolarHBondContact O-N 2.91Å; N286-F288 PolarHBondContact O-N 3.12Å; N286-K289 PolarHBondContact O-N 2.98Å; N286-K289 PolarHBondContact OD1-N 2.87Å; N286-K289 VanDerWaalsContact OD1-N 3.09Å
287A61.8Low85.9Confident98 Ų9867.5 Ų67.581%0.8134%0.336SS*.THydrogen-bonded Turntrans-53.8-28179.700000113.5
288F70.4Confident85.9Confident177 Ų17762.1 Ų62.178%0.77631%0.311SS*.THydrogen-bonded Turntrans-84.9-3.8-179.8-59.9-76.1000115N286 T290N286-F288 PolarHBondContact O-N 3.12Å; F288-T290 VanDerWaalsContact C-N 3.29Å; F288-T290 HydrophobicContact CB-CG2 4.24Å; F288-T290 PolarHBondContact O-N 3.29Å
289K80.4Confident85.7Confident131 Ų13163.7 Ų63.757%0.5732%0.315SS*.  trans42.643.8173.3-62.1-177.4-177.7174.70115.6R283 N286R283-K289 HydrophobicContact CG-CB 4.39Å; N286-K289 PolarHBondContact O-N 2.98Å; N286-K289 PolarHBondContact OD1-N 2.87Å; N286-K289 VanDerWaalsContact OD1-N 3.09Å
290T85.8Confident85Confident65 Ų6561.4 Ų61.440%0.39931%0.31SS..  trans-76.5147.6-175.259.60000113.3A284 F288A284-T290 WeakPolarHBondContact CB-O 3.48Å; A284-T290 PolarHBondContact N-O 3.11Å; F288-T290 VanDerWaalsContact C-N 3.29Å; F288-T290 HydrophobicContact CB-CG2 4.24Å; F288-T290 PolarHBondContact O-N 3.29Å
291W88.8Confident84.5Confident39 Ų3962.4 Ų62.415%0.14832%0.315CS..EExtended strand (participates in β ladder)trans-100.7133179.5-72.186.6000112.3F281 K282 R283 M347 Q349F281-W291 HydrophobicContact CB-CE3 3.95Å; K282-W291 WeakPolarHBondContact O-CA 3.33Å; R283-W291 HydrophobicContact CB-CD2 4Å; R283-W291 HydrophobicContact CB-CE3 4.04Å; R283-W291 HydrophobicContact CB-CH2 4.03Å; R283-W291 HydrophobicContact CB-CZ2 3.94Å; R283-W291 HydrophobicContact CB-CZ3 4.05Å; R283-W291 HydrophobicContact CG-CD2 4.27Å; R283-W291 HydrophobicContact CG-CZ2 4.12Å; W291-M347 HydrophobicContact CH2-CB 4.49Å; W291-M347 HydrophobicContact CH2-CG 3.69Å; W291-M347 HydrophobicContact CH2-SD 3.9Å; W291-M347 HydrophobicContact CZ2-CG 4.31Å; W291-M347 HydrophobicContact CZ2-SD 3.92Å; W291-Q349 HydrophobicContact CE3-CB 4.2Å; W291-Q349 HydrophobicContact CH2-CB 4.05Å; W291-Q349 HydrophobicContact CZ3-CB 3.54Å
292N89.7Confident84.2Confident53 Ų5362.5 Ų62.528%0.28332%0.317SS..EExtended strand (participates in β ladder)trans-131.7122.1-170.9-80.1-79.3000111.4F281 K282 R294F281-N292 CarbonylContact C-O 3.59Å; F281-N292 WeakPolarHBondContact CA-O 3.35Å; K282-N292 PolarHBondContact N-O 2.86Å; K282-N292 PolarHBondContact O-N 2.81Å; N292-R294 PolarHBondContact OD1-NH2 2.91Å
293R92.8Very high84.2Confident110 Ų11060.4 Ų60.442%0.41531%0.308SS..EExtended strand (participates in β ladder)trans-71.8126.8173.3-160.9176.9-174.3-130.65.1110.3Y279 L280 F281 E351Y279-R293 HydrophobicContact CD1-CG 4.1Å; L280-R293 WeakPolarHBondContact O-CA 3.18Å; F281-R293 HydrophobicContact CD1-CB 3.89Å; F281-R293 HydrophobicContact CD1-CG 4.49Å; F281-R293 HydrophobicContact CD2-CG 4.37Å; F281-R293 HydrophobicContact CE1-CB 3.63Å; F281-R293 HydrophobicContact CE1-CG 4.17Å; F281-R293 HydrophobicContact CE2-CB 4.38Å; F281-R293 HydrophobicContact CE2-CG 4.02Å; F281-R293 HydrophobicContact CG-CB 4.39Å; F281-R293 HydrophobicContact CZ-CB 3.9Å; F281-R293 HydrophobicContact CZ-CG 3.92Å; R293-E351 IonicContact CZ-OE1 3.12Å; R293-E351 IonicContact NE-OE1 2.64Å; R293-E351 PolarHBondContact NE-OE1 3.48Å; R293-E351 VanDerWaalsContact NE-OE1 3.13Å; R293-E351 IonicContact NH2-OE1 3.42Å; R293-E351 PolarHBondContact NH2-OE1 2.96Å; R293-E351 IonicContact NH2-OE2 3.26Å
294R92.2Very high84.2Confident56 Ų5657.1 Ų57.121%0.21130%0.296CS..EExtended strand (participates in β ladder)trans-139.8156177.5-56.9-67.5-180-101.20.7109.7Y279 L280 N292 F296 Y305Y279-R294 WeakPolarHBondContact CA-O 3.01Å; L280-R294 PolarHBondContact N-O 3.36Å; L280-R294 PolarHBondContact O-N 3.46Å; L280-R294 VanDerWaalsContact O-O 3.13Å; N292-R294 PolarHBondContact OD1-NH2 2.91Å; R294-F296 HydrophobicContact CB-CD2 4.18Å; R294-F296 HydrophobicContact CB-CE2 3.72Å; R294-F296 HydrophobicContact CB-CZ 4.48Å; R294-F296 WeakPolarHBondContact O-CD2 3.47Å; R294-Y305 HydrophobicContact CB-CD2 3.83Å; R294-Y305 HydrophobicContact CB-CG 4.01Å; R294-Y305 HydrophobicContact CG-CD2 3.77Å; R294-Y305 HydrophobicContact CG-CE2 4.16Å; R294-Y305 HydrophobicContact CG-CG 4.24Å
295W92.3Very high84.6Confident65 Ų6557.8 Ų57.825%0.24629%0.294CS..EExtended strand (participates in β ladder)trans-85.7114.7172.2-178.3-87.6000108.7E277 Y279 Y305 Q306E277-W295 HydrophobicContact CB-CZ2 3.98Å; E277-W295 HydrophobicContact CG-CZ2 3.77Å; E277-W295 PolarHBondContact OE2-NE1 2.93Å; Y279-W295 HydrophobicContact CD1-CB 4.36Å; Y279-W295 HydrophobicContact CD1-CE3 4.06Å; Y279-W295 AromaticContact CD2-CE3 3.51Å; Y279-W295 HydrophobicContact CD2-CE3 3.51Å; Y279-W295 AromaticContact CD2-CZ3 3.58Å; Y279-W295 HydrophobicContact CD2-CZ3 3.58Å; Y279-W295 HydrophobicContact CE1-CB 4.14Å; Y279-W295 AromaticContact CE1-CE3 3.93Å; Y279-W295 HydrophobicContact CE1-CE3 3.93Å; Y279-W295 AromaticContact CE2-CE3 3.35Å; Y279-W295 HydrophobicContact CE2-CE3 3.35Å; Y279-W295 AromaticContact CE2-CZ3 3.44Å; Y279-W295 HydrophobicContact CE2-CZ3 3.44Å; Y279-W295 VanDerWaalsContact CE2-CZ3 3.44Å; Y279-W295 AromaticContact CG-CE3 3.87Å; Y279-W295 HydrophobicContact CG-CE3 3.87Å; Y279-W295 HydrophobicContact CG-CZ3 4.34Å; Y279-W295 AromaticContact CZ-CE3 3.56Å; W295-Y305 CarbonylContact O-C 3.51Å; W295-Y305 WeakPolarHBondContact O-CA 3.39Å; W295-Y305 WeakPolarHBondContact O-CB 3.41Å; W295-Q306 HydrophobicContact CB-CG 3.71Å; W295-Q306 HydrophobicContact CG-CG 4.07Å; W295-Q306 PolarHBondContact N-O 3.36Å; W295-Q306 VanDerWaalsContact N-O 3.12Å; W295-Q306 PolarHBondContact O-N 2.91Å
296F92.5Very high85.3Confident0 Ų053.8 Ų53.80%026%0.263CS..EExtended strand (participates in β ladder)trans-96.5149.5178.7-77.8-101000110.8E277 G278 L280 K282 R294 L303 V304 Y305 V316 L348 W359E277-F296 CarbonylContact C-O 3.43Å; E277-F296 WeakPolarHBondContact CA-O 3.36Å; G278-F296 PolarHBondContact N-O 3.09Å; G278-F296 PolarHBondContact O-N 3.29Å; L280-F296 HydrophobicContact CB-CD2 3.56Å; L280-F296 HydrophobicContact CB-CE2 3.81Å; L280-F296 HydrophobicContact CB-CG 4.28Å; L280-F296 HydrophobicContact CD1-CB 4.14Å; L280-F296 HydrophobicContact CD1-CD2 4.15Å; L280-F296 HydrophobicContact CD1-CG 4.03Å; L280-F296 HydrophobicContact CG-CD2 4.2Å; L280-F296 HydrophobicContact CG-CG 4.49Å; K282-F296 HydrophobicContact CB-CE2 4.4Å; K282-F296 HydrophobicContact CB-CZ 3.93Å; K282-F296 HydrophobicContact CD-CZ 4.28Å; R294-F296 HydrophobicContact CB-CD2 4.18Å; R294-F296 HydrophobicContact CB-CE2 3.72Å; R294-F296 HydrophobicContact CB-CZ 4.48Å; R294-F296 WeakPolarHBondContact O-CD2 3.47Å; F296-L303 HydrophobicContact CD1-CD1 4.04Å; F296-L303 HydrophobicContact CD1-CG 4.25Å; F296-V304 CarbonylContact C-O 3.57Å; F296-V304 VanDerWaalsContact CA-O 3.29Å; F296-V304 WeakPolarHBondContact CA-O 3.26Å; F296-Y305 HydrophobicContact CE1-CD1 4.08Å; F296-Y305 HydrophobicContact CE1-CG 4.42Å; F296-Y305 HydrophobicContact CZ-CD1 4.04Å; F296-Y305 HydrophobicContact CZ-CG 4.25Å; F296-V316 HydrophobicContact CE1-CG2 4Å; F296-L348 HydrophobicContact CE1-CD1 4.34Å; F296-L348 HydrophobicContact CE1-CD2 3.73Å; F296-L348 HydrophobicContact CE2-CD2 4.19Å; F296-L348 HydrophobicContact CZ-CD2 3.47Å; F296-L348 VanDerWaalsContact CZ-CD2 3.47Å; F296-W359 HydrophobicContact CB-CH2 3.79Å; F296-W359 HydrophobicContact CB-CZ2 4.44Å; F296-W359 HydrophobicContact CB-CZ3 4.26Å
297S90.9Very high85.9Confident5 Ų556.8 Ų56.84%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-140139.6170.9173.20000108.8V274 M276 Q299 V304V274-S297 WeakPolarHBondContact CG1-OG 3.38Å; M276-S297 CarbonylContact O-C 3.22Å; M276-S297 WeakPolarHBondContact O-CA 3.39Å; S297-Q299 PolarHBondContact OG-OE1 3.26Å; S297-Q299 VanDerWaalsContact OG-OE1 3.13Å; S297-V304 PolarHBondContact N-O 3.22Å; S297-V304 WeakPolarHBondContact O-CG2 3.38Å; S297-V304 PolarHBondContact O-N 2.7Å
298I89.3Confident86.6Confident0 Ų059.6 Ų59.60%027%0.266CS..EExtended strand (participates in β ladder)trans-101.4114167-59.6166.5000106.8V274 V275 M276 Q302 L303 L320 W359 A362 V363 S366V274-I298 CarbonylContact C-O 3.59Å; V274-I298 WeakPolarHBondContact CA-O 3.31Å; V275-I298 HydrophobicContact CB-CB 4.17Å; V275-I298 HydrophobicContact CB-CG2 4.04Å; V275-I298 HydrophobicContact CG2-CG2 4.26Å; V275-I298 PolarHBondContact N-O 2.69Å; M276-I298 HydrophobicContact CB-CD1 4.27Å; M276-I298 PolarHBondContact O-N 3.34Å; I298-Q302 WeakPolarHBondContact CA-O 3.4Å; I298-L303 HydrophobicContact CG1-CD1 3.76Å; I298-L320 HydrophobicContact CG2-CD1 3.92Å; I298-W359 HydrophobicContact CD1-CE3 4.03Å; I298-W359 HydrophobicContact CD1-CZ3 3.89Å; I298-W359 HydrophobicContact CG1-CZ3 3.99Å; I298-A362 HydrophobicContact CD1-CB 4.03Å; I298-V363 HydrophobicContact CD1-CG2 3.61Å; I298-S366 WeakPolarHBondContact CG2-OG 3.5Å
299Q85.6Confident86.5Confident44 Ų4458.3 Ų58.321%0.20627%0.267CS..EExtended strand (participates in β ladder)trans-149142-177.653.7179.95900109.8G273 V274 S297 N301 Q302 V304G273-Q299 WeakPolarHBondContact O-CA 3.37Å; V274-Q299 HydrophobicContact CG2-CB 4.17Å; S297-Q299 PolarHBondContact OG-OE1 3.26Å; S297-Q299 VanDerWaalsContact OG-OE1 3.13Å; Q299-N301 VanDerWaalsContact C-N 3.29Å; Q299-N301 PolarHBondContact O-N 2.71Å; Q299-Q302 PolarHBondContact N-O 3.15Å; Q299-Q302 VanDerWaalsContact N-O 3.1Å; Q299-Q302 WeakPolarHBondContact O-CA 3.34Å; Q299-Q302 WeakPolarHBondContact O-CB 3.28Å; Q299-Q302 PolarHBondContact O-N 3.14Å; Q299-V304 HydrophobicContact CG-CG2 3.98Å
300N76.6Confident86.1Confident64 Ų6461.4 Ų61.434%0.34228%0.28SS..THydrogen-bonded Turntrans5143.1176.8-57.8-12000114.1Q302 H382N300-Q302 PolarHBondContact O-N 3.48Å; N300-Q302 VanDerWaalsContact O-N 3.14Å; N300-H382 PolarHBondContact ND2-NE2 3.4Å
301N82.1Confident85.8Confident21 Ų2161.4 Ų61.411%0.11228%0.278CS..THydrogen-bonded Turntrans60.419.5-176.7-56.3-33.6000114.5Q299 L320 A370 E373Q299-N301 VanDerWaalsContact C-N 3.29Å; Q299-N301 PolarHBondContact O-N 2.71Å; N301-L320 WeakPolarHBondContact O-CB 3.28Å; N301-L320 WeakPolarHBondContact O-CG 3.42Å; N301-L320 PolarHBondContact O-N 2.83Å; N301-A370 HydrophobicContact CB-CB 4.02Å; N301-A370 VanDerWaalsContact CG-CB 3.46Å; N301-A370 WeakPolarHBondContact OD1-CB 3.49Å; N301-E373 PolarHBondContact ND2-OE2 3.19Å
302Q86.9Confident85.2Confident62 Ų6264.2 Ų64.229%0.2930%0.299SS..EExtended strand (participates in β ladder)trans-117149.3176.8-63.1-173.3-27.500111.5I298 Q299 N300 V304 V317 E318I298-Q302 WeakPolarHBondContact CA-O 3.4Å; Q299-Q302 PolarHBondContact N-O 3.15Å; Q299-Q302 VanDerWaalsContact N-O 3.1Å; Q299-Q302 WeakPolarHBondContact O-CA 3.34Å; Q299-Q302 WeakPolarHBondContact O-CB 3.28Å; Q299-Q302 PolarHBondContact O-N 3.14Å; N300-Q302 PolarHBondContact O-N 3.48Å; N300-Q302 VanDerWaalsContact O-N 3.14Å; Q302-V304 HydrophobicContact CB-CG1 4.08Å; Q302-V317 WeakPolarHBondContact CA-O 3.5Å; Q302-E318 WeakPolarHBondContact CG-O 3.2Å; Q302-E318 PolarHBondContact NE2-O 3.32Å
303L89.6Confident84.9Confident1 Ų164.8 Ų64.81%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-104116166.9-177.565.8000108.7F296 I298 V316 V317 L320 V339 L348F296-L303 HydrophobicContact CD1-CD1 4.04Å; F296-L303 HydrophobicContact CD1-CG 4.25Å; I298-L303 HydrophobicContact CG1-CD1 3.76Å; L303-V316 HydrophobicContact CD2-CB 4.48Å; L303-V316 HydrophobicContact CD2-CG1 4.47Å; L303-V316 HydrophobicContact CG-CB 4.39Å; L303-V316 WeakPolarHBondContact O-CA 3.27Å; L303-V316 WeakPolarHBondContact O-CB 3.38Å; L303-V316 PolarHBondContact O-N 3.32Å; L303-V317 HydrophobicContact CB-CB 3.99Å; L303-V317 HydrophobicContact CB-CG2 4.22Å; L303-V317 HydrophobicContact CD2-CG2 4.37Å; L303-V317 PolarHBondContact N-O 3.18Å; L303-V317 VanDerWaalsContact N-O 3.17Å; L303-V317 PolarHBondContact O-N 3.41Å; L303-V317 VanDerWaalsContact O-N 3.16Å; L303-L320 HydrophobicContact CB-CD2 4.34Å; L303-V339 HydrophobicContact CD2-CG2 4.31Å; L303-L348 HydrophobicContact CD2-CD1 4.02Å
304V90.6Very high84.6Confident2 Ų262.2 Ų62.21%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-124.4156.2-175.7-56.20000111.4F296 S297 Q299 Q302 L313 T314 V315F296-V304 CarbonylContact C-O 3.57Å; F296-V304 VanDerWaalsContact CA-O 3.29Å; F296-V304 WeakPolarHBondContact CA-O 3.26Å; S297-V304 PolarHBondContact N-O 3.22Å; S297-V304 WeakPolarHBondContact O-CG2 3.38Å; S297-V304 PolarHBondContact O-N 2.7Å; Q299-V304 HydrophobicContact CG-CG2 3.98Å; Q302-V304 HydrophobicContact CB-CG1 4.08Å; V304-L313 HydrophobicContact CB-CB 4.15Å; V304-L313 HydrophobicContact CG2-CB 4.29Å; V304-L313 HydrophobicContact CG2-CD1 4.21Å; V304-L313 HydrophobicContact CG2-CD2 3.97Å; V304-L313 HydrophobicContact CG2-CG 4.4Å; V304-T314 CarbonylContact C-O 3.46Å; V304-T314 VanDerWaalsContact CA-O 3.31Å; V304-T314 WeakPolarHBondContact CA-O 3.36Å; V304-V315 HydrophobicContact CG1-CB 4.48Å; V304-V315 HydrophobicContact CG1-CG2 4.05Å
305Y90.9Very high84.2Confident32 Ų3262.1 Ų62.113%0.12530%0.304CS..EExtended strand (participates in β ladder)trans-134.9157.2167.575-101.4000113.6K282 R294 W295 F296 K307 T314 V316K282-Y305 HydrophobicContact CD-CD1 4.45Å; K282-Y305 HydrophobicContact CD-CE1 4.11Å; R294-Y305 HydrophobicContact CB-CD2 3.83Å; R294-Y305 HydrophobicContact CB-CG 4.01Å; R294-Y305 HydrophobicContact CG-CD2 3.77Å; R294-Y305 HydrophobicContact CG-CE2 4.16Å; R294-Y305 HydrophobicContact CG-CG 4.24Å; W295-Y305 CarbonylContact O-C 3.51Å; W295-Y305 WeakPolarHBondContact O-CA 3.39Å; W295-Y305 WeakPolarHBondContact O-CB 3.41Å; F296-Y305 HydrophobicContact CE1-CD1 4.08Å; F296-Y305 HydrophobicContact CE1-CG 4.42Å; F296-Y305 HydrophobicContact CZ-CD1 4.04Å; F296-Y305 HydrophobicContact CZ-CG 4.25Å; Y305-K307 HydrophobicContact CE2-CG 4.43Å; Y305-T314 HydrophobicContact CE1-CG2 3.83Å; Y305-T314 HydrophobicContact CE2-CG2 4.31Å; Y305-T314 PolarHBondContact N-O 3.03Å; Y305-T314 PolarHBondContact O-N 2.93Å; Y305-T314 WeakPolarHBondContact OH-CG2 3.31Å; Y305-V316 HydrophobicContact CD1-CG2 3.29Å; Y305-V316 HydrophobicContact CE1-CG2 3.68Å; Y305-V316 HydrophobicContact CG-CG2 4.45Å
306Q89.9Confident83.7Confident29 Ų2959.8 Ų59.814%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-123.7148.4170.259.2-172.10.300111.3W295 D311 L313W295-Q306 HydrophobicContact CB-CG 3.71Å; W295-Q306 HydrophobicContact CG-CG 4.07Å; W295-Q306 PolarHBondContact N-O 3.36Å; W295-Q306 VanDerWaalsContact N-O 3.12Å; W295-Q306 PolarHBondContact O-N 2.91Å; Q306-D311 HydrophobicContact CB-CB 4.36Å; Q306-L313 HydrophobicContact CB-CD2 4.24Å
307K85.3Confident83.2Confident138 Ų13860 Ų6060%0.630%0.299SS*.SBendtrans-86.5-43.7176.6-54.7178.9-179.2171.20110.7Y305 D311Y305-K307 HydrophobicContact CE2-CG 4.43Å; K307-D311 WeakPolarHBondContact CB-OD2 3.49Å
308K77.3Confident82.4Confident157 Ų15766.7 Ų66.768%0.68333%0.329SS*.SBendtrans-128.6160.2174.6-62.9-178.4179.4-179.80110.4K310 D311K308-K310 PolarHBondContact O-N 3.33Å; K308-D311 PolarHBondContact N-OD2 2.71Å; K308-D311 WeakPolarHBondContact O-CB 3.4Å; K308-D311 PolarHBondContact O-N 3.47Å; K308-D311 VanDerWaalsContact O-N 3.09Å
309L67.7Low82Confident150 Ų15068.9 Ų68.979%0.78534%0.341SS*.THydrogen-bonded Turntrans-58.2125.1174.2-167.774.3000109.4
310K72.4Confident81.9Confident196 Ų19666.8 Ų66.885%0.85233%0.331SS*.THydrogen-bonded Turntrans78.88.3-175.2-49.7176.5179176.60116.7K308K308-K310 PolarHBondContact O-N 3.33Å
311D78.6Confident82.2Confident65 Ų6566.2 Ų66.235%0.34832%0.324SS..PPolyproline II helixtrans-66.9155166.8-76.7-13.1000110.7Q306 K307 K308 L313Q306-D311 HydrophobicContact CB-CB 4.36Å; K307-D311 WeakPolarHBondContact CB-OD2 3.49Å; K308-D311 PolarHBondContact N-OD2 2.71Å; K308-D311 WeakPolarHBondContact O-CB 3.4Å; K308-D311 PolarHBondContact O-N 3.47Å; K308-D311 VanDerWaalsContact O-N 3.09Å; D311-L313 PolarHBondContact O-N 3.19Å
312V76.6Confident82.1Confident99 Ų9970.3 Ų70.360%0.635%0.345SS*.PPolyproline II helixtrans-61.2128170.9-178.20000108.9T314V312-T314 PolarHBondContact O-N 3.14Å
313L83.8Confident82Confident64 Ų6467.8 Ų67.834%0.33534%0.335SS..PPolyproline II helixtrans-61118177.9-66.2172.3000109.4V304 Q306 D311V304-L313 HydrophobicContact CB-CB 4.15Å; V304-L313 HydrophobicContact CG2-CB 4.29Å; V304-L313 HydrophobicContact CG2-CD1 4.21Å; V304-L313 HydrophobicContact CG2-CD2 3.97Å; V304-L313 HydrophobicContact CG2-CG 4.4Å; Q306-L313 HydrophobicContact CB-CD2 4.24Å; D311-L313 PolarHBondContact O-N 3.19Å
314T85.1Confident81.9Confident57 Ų5770 Ų7035%0.3535%0.35SS..EExtended strand (participates in β ladder)trans-85.2114.9174.8-54.60000108.6V304 Y305 V312 V316V304-T314 CarbonylContact C-O 3.46Å; V304-T314 VanDerWaalsContact CA-O 3.31Å; V304-T314 WeakPolarHBondContact CA-O 3.36Å; Y305-T314 HydrophobicContact CE1-CG2 3.83Å; Y305-T314 HydrophobicContact CE2-CG2 4.31Å; Y305-T314 PolarHBondContact N-O 3.03Å; Y305-T314 PolarHBondContact O-N 2.93Å; Y305-T314 WeakPolarHBondContact OH-CG2 3.31Å; V312-T314 PolarHBondContact O-N 3.14Å; T314-V316 PolarHBondContact O-N 2.99Å
315V84Confident81.9Confident54 Ų5470.5 Ų70.533%0.32735%0.353SS..EExtended strand (participates in β ladder)trans-71.3116.6176.8-174.40000109.5V304 V317 E318V304-V315 HydrophobicContact CG1-CB 4.48Å; V304-V315 HydrophobicContact CG1-CG2 4.05Å; V315-V317 VanDerWaalsContact CG1-C 3.43Å; V315-V317 VanDerWaalsContact CG1-O 3.29Å; V315-V317 WeakPolarHBondContact CG1-O 3.45Å; V315-E318 HydrophobicContact CG1-CB 4.27Å; V315-E318 HydrophobicContact CG1-CG 3.68Å
316V81.7Confident81.8Confident15 Ų1574.7 Ų74.79%0.09137%0.372CS..EExtended strand (participates in β ladder)trans-85.1-41.6173.1-174.50000109.8F296 L303 Y305 T314 C346F296-V316 HydrophobicContact CE1-CG2 4Å; L303-V316 HydrophobicContact CD2-CB 4.48Å; L303-V316 HydrophobicContact CD2-CG1 4.47Å; L303-V316 HydrophobicContact CG-CB 4.39Å; L303-V316 WeakPolarHBondContact O-CA 3.27Å; L303-V316 WeakPolarHBondContact O-CB 3.38Å; L303-V316 PolarHBondContact O-N 3.32Å; Y305-V316 HydrophobicContact CD1-CG2 3.29Å; Y305-V316 HydrophobicContact CE1-CG2 3.68Å; Y305-V316 HydrophobicContact CG-CG2 4.45Å; T314-V316 PolarHBondContact O-N 2.99Å; V316-C346 HydrophobicContact CG1-CB 3.74Å; V316-C346 WeakPolarHBondContact CG1-SG 3.31Å
317V82.1Confident81.7Confident6 Ų677.1 Ų77.14%0.03639%0.39CS..EExtended strand (participates in β ladder)trans-134.1119.5178.7178.80000108.4Q302 L303 V315 L320 C323 V339Q302-V317 WeakPolarHBondContact CA-O 3.5Å; L303-V317 HydrophobicContact CB-CB 3.99Å; L303-V317 HydrophobicContact CB-CG2 4.22Å; L303-V317 HydrophobicContact CD2-CG2 4.37Å; L303-V317 PolarHBondContact N-O 3.18Å; L303-V317 VanDerWaalsContact N-O 3.17Å; L303-V317 PolarHBondContact O-N 3.41Å; L303-V317 VanDerWaalsContact O-N 3.16Å; V315-V317 VanDerWaalsContact CG1-C 3.43Å; V315-V317 VanDerWaalsContact CG1-O 3.29Å; V315-V317 WeakPolarHBondContact CG1-O 3.45Å; V317-L320 HydrophobicContact CB-CD2 4.35Å; V317-L320 HydrophobicContact CG1-CD2 3.98Å; V317-L320 HydrophobicContact CG1-CG 4.29Å; V317-C323 WeakPolarHBondContact CG1-SG 3.47Å; V317-V339 HydrophobicContact CG2-CG1 4.08Å
318E75Confident81.4Confident144 Ų14473.7 Ų73.767%0.67338%0.376SS*.SBendtrans-77.5-29.7-177.5-70.5171.7-169.300113.3Q302 V315Q302-E318 WeakPolarHBondContact CG-O 3.2Å; Q302-E318 PolarHBondContact NE2-O 3.32Å; V315-E318 HydrophobicContact CG1-CB 4.27Å; V315-E318 HydrophobicContact CG1-CG 3.68Å
319D80.8Confident81.1Confident46 Ų4675.4 Ų75.425%0.24639%0.387CS..  trans-145.9110.4175-165.3-20.6000110.4R321 C323D319-R321 VanDerWaalsContact CG-NE 3.33Å; D319-R321 PolarHBondContact O-N 3.02Å; D319-R321 WeakPolarHBondContact OD1-CB 3.27Å; D319-R321 VanDerWaalsContact OD1-CG 3.24Å; D319-R321 WeakPolarHBondContact OD1-CG 3.25Å; D319-R321 IonicContact OD1-CZ 2.72Å; D319-R321 PolarHBondContact OD1-N 3.48Å; D319-R321 IonicContact OD1-NE 3.29Å; D319-R321 PolarHBondContact OD1-NE 2.86Å; D319-R321 IonicContact OD1-NH2 2.77Å; D319-R321 IonicContact OD2-CZ 2.82Å; D319-R321 VanDerWaalsContact OD2-CZ 3.27Å; D319-R321 IonicContact OD2-NE 2.78Å; D319-R321 PolarHBondContact OD2-NE 3.22Å; D319-R321 IonicContact OD2-NH2 2.68Å; D319-R321 PolarHBondContact OD2-NH2 3.02Å; D319-C323 PolarHBondContact O-SG 3.01Å
320L84.1Confident80.9Confident0 Ų070 Ų700%036%0.358CS..G310 helixtrans-65.4-21.9176.7-75.7169.6000112.2I298 N301 L303 V317 L322 C323 V363 I367I298-L320 HydrophobicContact CG2-CD1 3.92Å; N301-L320 WeakPolarHBondContact O-CB 3.28Å; N301-L320 WeakPolarHBondContact O-CG 3.42Å; N301-L320 PolarHBondContact O-N 2.83Å; L303-L320 HydrophobicContact CB-CD2 4.34Å; V317-L320 HydrophobicContact CB-CD2 4.35Å; V317-L320 HydrophobicContact CG1-CD2 3.98Å; V317-L320 HydrophobicContact CG1-CG 4.29Å; L320-L322 PolarHBondContact O-N 3.2Å; L320-L322 VanDerWaalsContact O-N 3.11Å; L320-C323 HydrophobicContact CD2-CB 4.43Å; L320-C323 VanDerWaalsContact O-CB 3.29Å; L320-C323 WeakPolarHBondContact O-CB 3.13Å; L320-C323 PolarHBondContact O-N 3.01Å; L320-V363 HydrophobicContact CD2-CG1 4.2Å; L320-I367 HydrophobicContact CB-CG1 4.12Å; L320-I367 WeakPolarHBondContact O-CG1 3.5Å
321R82.6Confident80.2Confident53 Ų5369 Ų6920%0.236%0.361CS..G310 helixtrans-56.9-31.7179.7-68.6176-79.2-154.9-2.9113.4D319 C323 A370 Y371D319-R321 VanDerWaalsContact CG-NE 3.33Å; D319-R321 PolarHBondContact O-N 3.02Å; D319-R321 WeakPolarHBondContact OD1-CB 3.27Å; D319-R321 VanDerWaalsContact OD1-CG 3.24Å; D319-R321 WeakPolarHBondContact OD1-CG 3.25Å; D319-R321 IonicContact OD1-CZ 2.72Å; D319-R321 PolarHBondContact OD1-N 3.48Å; D319-R321 IonicContact OD1-NE 3.29Å; D319-R321 PolarHBondContact OD1-NE 2.86Å; D319-R321 IonicContact OD1-NH2 2.77Å; D319-R321 IonicContact OD2-CZ 2.82Å; D319-R321 VanDerWaalsContact OD2-CZ 3.27Å; D319-R321 IonicContact OD2-NE 2.78Å; D319-R321 PolarHBondContact OD2-NE 3.22Å; D319-R321 IonicContact OD2-NH2 2.68Å; D319-R321 PolarHBondContact OD2-NH2 3.02Å; R321-C323 VanDerWaalsContact C-N 3.29Å; R321-A370 WeakPolarHBondContact CD-O 3.38Å; R321-A370 HydrophobicContact CG-CB 3.2Å; R321-Y371 HydrophobicContact CB-CE1 4.47Å; R321-Y371 PolarHBondContact O-OH 2.8Å
322L78.9Confident79.7Confident107 Ų10773.9 Ų73.956%0.5638%0.382SS*.G310 helixtrans-948.7-178.5-56.7-179.9000112.4L320 P342L320-L322 PolarHBondContact O-N 3.2Å; L320-L322 VanDerWaalsContact O-N 3.11Å; L322-P342 HydrophobicContact CB-CG 3.86Å; L322-P342 HydrophobicContact CD1-CG 4.47Å; L322-P342 WeakPolarHBondContact O-CD 2.92Å
323C86Confident80.1Confident9 Ų974 Ų746%0.06137%0.371CS..  trans-104.9154.2-172.7-61.70000112.7V317 D319 L320 R321 V339 V340 S341 I367V317-C323 WeakPolarHBondContact CG1-SG 3.47Å; D319-C323 PolarHBondContact O-SG 3.01Å; L320-C323 HydrophobicContact CD2-CB 4.43Å; L320-C323 VanDerWaalsContact O-CB 3.29Å; L320-C323 WeakPolarHBondContact O-CB 3.13Å; L320-C323 PolarHBondContact O-N 3.01Å; R321-C323 VanDerWaalsContact C-N 3.29Å; C323-V339 HydrophobicContact CB-CG1 4.27Å; C323-V340 CarbonylContact C-O 3.59Å; C323-V340 WeakPolarHBondContact CA-O 3.39Å; C323-S341 WeakPolarHBondContact SG-CB 3.44Å; C323-I367 WeakPolarHBondContact O-CD1 3.29Å
324S87.1Confident80.3Confident48 Ų4880 Ų8034%0.33639%0.389SS..EExtended strand (participates in β ladder)trans-123.4143.4165.464.80000109V340S324-V340 PolarHBondContact N-O 3Å; S324-V340 PolarHBondContact O-N 3.29Å
325V90.9Very high80.6Confident12 Ų1279.7 Ų79.77%0.07338%0.383CS..EExtended strand (participates in β ladder)trans-113130.8173.860.20000109.2F337 E338 V339 I360 V363 Q364 I367V325-F337 HydrophobicContact CG2-CD2 3.88Å; V325-E338 CarbonylContact C-O 3.55Å; V325-E338 WeakPolarHBondContact CA-O 3.42Å; V325-V339 HydrophobicContact CB-CG2 4.41Å; V325-V339 HydrophobicContact CG2-CG2 4.07Å; V325-I360 HydrophobicContact CG1-CG2 4.17Å; V325-I360 HydrophobicContact CG2-CB 4.46Å; V325-I360 HydrophobicContact CG2-CG1 4.1Å; V325-I360 HydrophobicContact CG2-CG2 4.28Å; V325-V363 HydrophobicContact CB-CB 4.4Å; V325-V363 HydrophobicContact CB-CG1 3.8Å; V325-V363 HydrophobicContact CG1-CB 4.16Å; V325-V363 HydrophobicContact CG1-CG1 3.83Å; V325-V363 HydrophobicContact CG2-CG1 4.31Å; V325-Q364 HydrophobicContact CG1-CB 4.46Å; V325-Q364 HydrophobicContact CG1-CG 3.33Å; V325-I367 HydrophobicContact CG1-CD1 4.39Å
326K87.9Confident80.9Confident119 Ų11977.2 Ų77.252%0.51737%0.368SS..EExtended strand (participates in β ladder)trans-129.1137.7-178.2-66.3178.9-176.1176.20110.3H328 F337 E338K326-H328 PolarHBondContact O-N 3.48Å; K326-F337 WeakPolarHBondContact O-CA 3.21Å; K326-E338 PolarHBondContact N-O 3.31Å; K326-E338 PolarHBondContact O-N 3.29Å
327P87.3Confident81.4Confident81 Ų8176.6 Ų76.653%0.52636%0.364SS..EExtended strand (participates in β ladder)trans-60.1135.716429.7-34.7000108.3I360P327-I360 HydrophobicContact CB-CD1 4.27Å
328H79.7Confident81.8Confident66 Ų6678.2 Ų78.231%0.30637%0.372SS..  trans-118.5114.9178.9-166.391.2000108.6K326 D330 C336 E338K326-H328 PolarHBondContact O-N 3.48Å; H328-D330 VanDerWaalsContact C-N 3.29Å; H328-D330 PolarHBondContact O-N 2.96Å; H328-D330 VanDerWaalsContact O-N 3.12Å; H328-C336 PolarHBondContact N-O 3.33Å; H328-E338 HydrophobicContact CB-CB 4.39Å; H328-E338 IonicContact ND1-OE2 3.77Å; H328-E338 PolarHBondContact ND1-OE2 3.41Å
329E71.4Confident82.6Confident192 Ų19271.4 Ų71.490%0.89734%0.34SS*.  trans-82.781171.9-65.9-172.9174.600108
330D62.7Low82.9Confident36 Ų3671.3 Ų71.319%0.19334%0.341CS..  trans-71.1137.1170.1-157.5-31.7000108.6R283 H328 E332 C336R283-D330 IonicContact NH1-OD2 3.07Å; H328-D330 VanDerWaalsContact C-N 3.29Å; H328-D330 PolarHBondContact O-N 2.96Å; H328-D330 VanDerWaalsContact O-N 3.12Å; D330-E332 PolarHBondContact O-N 3.25Å; D330-E332 PolarHBondContact OD1-N 3.26Å; D330-E332 VanDerWaalsContact OD1-N 3.09Å; D330-C336 HydrophobicContact CB-CB 4.49Å
331I58.4Low82.9Confident175 Ų17572.3 Ų72.390%0.89735%0.348SS*.SBendtrans-70.9-21.7177-50.5172000109.8
332E68.4Low82.6Confident169 Ų16973.8 Ų73.879%0.7936%0.364SS*.SBendtrans-98.9-25.3-173.1-64.5-173.117300115.4D330D330-E332 PolarHBondContact O-N 3.25Å; D330-E332 PolarHBondContact OD1-N 3.26Å; D330-E332 VanDerWaalsContact OD1-N 3.09Å
333R84.1Confident82.4Confident101 Ų10177.7 Ų77.738%0.38138%0.377SS..  trans-142.7137.1-175.1-68.9-167.5179.2-1520.5113.9
334R88.6Confident82Confident189 Ų18983.4 Ų83.471%0.71340%0.401SS*.THydrogen-bonded Turntrans-76.8152.3176.1-59.7-171.8-62.3162.61.7111.7Q349R334-Q349 PolarHBondContact O-NE2 3.19Å
335F90.4Very high81.8Confident52 Ų5283.8 Ų83.823%0.22840%0.403CS..THydrogen-bonded Turntrans66.130.7172.6-38.8-47.9000116A350 E353 R356F335-A350 PolarHBondContact O-N 3.48Å; F335-A350 VanDerWaalsContact O-N 3.11Å; F335-E353 HydrophobicContact CD1-CB 3.96Å; F335-E353 HydrophobicContact CE1-CB 3.81Å; F335-R356 VanDerWaalsContact C-CD 3.44Å; F335-R356 VanDerWaalsContact CA-CD 3.47Å; F335-R356 HydrophobicContact CB-CB 4.32Å
336C90.9Very high81.6Confident2 Ų283.6 Ų83.61%0.01440%0.403CS..EExtended strand (participates in β ladder)trans-85.2149.4178.7-65.50000112.6H328 D330 L348H328-C336 PolarHBondContact N-O 3.33Å; D330-C336 HydrophobicContact CB-CB 4.49Å; C336-L348 CarbonylContact C-O 3.55Å; C336-L348 VanDerWaalsContact CA-O 3.27Å; C336-L348 WeakPolarHBondContact CA-O 3.4Å
337F92Very high81.7Confident1 Ų178.3 Ų78.30%0.00438%0.38CS..EExtended strand (participates in β ladder)trans-148.9156.2171.767.1-82.8000109.8L280 V325 K326 V339 L348 R356 W359 I360L280-F337 HydrophobicContact CD1-CE1 4.4Å; L280-F337 HydrophobicContact CD1-CZ 3.87Å; L280-F337 HydrophobicContact CD2-CE1 4.25Å; L280-F337 HydrophobicContact CD2-CZ 4.49Å; V325-F337 HydrophobicContact CG2-CD2 3.88Å; K326-F337 WeakPolarHBondContact O-CA 3.21Å; F337-V339 HydrophobicContact CD2-CG2 4.3Å; F337-V339 HydrophobicContact CE2-CG2 4.16Å; F337-L348 HydrophobicContact CD1-CB 4.23Å; F337-L348 HydrophobicContact CD2-CB 4.35Å; F337-L348 HydrophobicContact CE1-CB 3.78Å; F337-L348 HydrophobicContact CE2-CB 3.93Å; F337-L348 HydrophobicContact CE2-CD1 3.74Å; F337-L348 HydrophobicContact CE2-CG 4.41Å; F337-L348 HydrophobicContact CZ-CB 3.63Å; F337-L348 HydrophobicContact CZ-CD1 3.83Å; F337-L348 HydrophobicContact CZ-CG 4.38Å; F337-L348 PolarHBondContact N-O 2.99Å; F337-L348 PolarHBondContact O-N 3.43Å; F337-L348 VanDerWaalsContact O-O 3.09Å; F337-R356 HydrophobicContact CD1-CG 4.06Å; F337-W359 HydrophobicContact CE1-CB 4.18Å; F337-W359 HydrophobicContact CZ-CB 3.82Å; F337-W359 HydrophobicContact CZ-CG 4.41Å; F337-I360 HydrophobicContact CB-CD1 3.82Å; F337-I360 HydrophobicContact CB-CG1 3.88Å; F337-I360 HydrophobicContact CD2-CG1 4.08Å; F337-I360 HydrophobicContact CG-CD1 4.37Å; F337-I360 HydrophobicContact CG-CG1 3.96Å
338E90.8Very high82Confident41 Ų4174.5 Ų74.519%0.19236%0.355CS..EExtended strand (participates in β ladder)trans-122.4129.6-173.6-169.1-178.9178.800109.8V325 K326 H328 V340 S345 C346V325-E338 CarbonylContact C-O 3.55Å; V325-E338 WeakPolarHBondContact CA-O 3.42Å; K326-E338 PolarHBondContact N-O 3.31Å; K326-E338 PolarHBondContact O-N 3.29Å; H328-E338 HydrophobicContact CB-CB 4.39Å; H328-E338 IonicContact ND1-OE2 3.77Å; H328-E338 PolarHBondContact ND1-OE2 3.41Å; E338-V340 HydrophobicContact CG-CG2 3.74Å; E338-S345 VanDerWaalsContact CD-OG 3.32Å; E338-S345 WeakPolarHBondContact CG-OG 3.27Å; E338-S345 WeakPolarHBondContact OE1-CB 3.45Å; E338-S345 PolarHBondContact OE1-OG 3.34Å; E338-C346 WeakPolarHBondContact CA-O 3.4Å
339V90.9Very high82.6Confident0 Ų072.8 Ų72.80%035%0.347CS..EExtended strand (participates in β ladder)trans-104.9112.4170.5-1760000107.3L303 V317 C323 V325 F337 C346 L348L303-V339 HydrophobicContact CD2-CG2 4.31Å; V317-V339 HydrophobicContact CG2-CG1 4.08Å; C323-V339 HydrophobicContact CB-CG1 4.27Å; V325-V339 HydrophobicContact CB-CG2 4.41Å; V325-V339 HydrophobicContact CG2-CG2 4.07Å; F337-V339 HydrophobicContact CD2-CG2 4.3Å; F337-V339 HydrophobicContact CE2-CG2 4.16Å; V339-C346 PolarHBondContact N-O 2.97Å; V339-C346 PolarHBondContact O-N 3.27Å; V339-L348 HydrophobicContact CG2-CD1 4.29Å
340V87.5Confident83.5Confident44 Ų4463.7 Ų63.727%0.26731%0.305SS..EExtended strand (participates in β ladder)trans-106.2118.9-175.7-175.10000109C323 S324 E338C323-V340 CarbonylContact C-O 3.59Å; C323-V340 WeakPolarHBondContact CA-O 3.39Å; S324-V340 PolarHBondContact N-O 3Å; S324-V340 PolarHBondContact O-N 3.29Å; E338-V340 HydrophobicContact CG-CG2 3.74Å
341S83.7Confident84.7Confident22 Ų2266.7 Ų66.715%0.15432%0.318CS..  trans-107.7168.9168.385.80000110.5C323 F343 K344C323-S341 WeakPolarHBondContact SG-CB 3.44Å; S341-F343 PolarHBondContact O-N 3.45Å; S341-F343 VanDerWaalsContact O-N 3.12Å; S341-K344 WeakPolarHBondContact CA-O 3.25Å; S341-K344 WeakPolarHBondContact CB-O 3.5Å; S341-K344 PolarHBondContact N-O 3.18Å; S341-K344 PolarHBondContact OG-N 3.46Å; S341-K344 PolarHBondContact OG-O 2.92Å
342P76.9Confident86.1Confident83 Ų8360.2 Ų60.254%0.53929%0.288SS..SBendtrans-60.9-23.9-178.3-23.635000114.1L322L322-P342 HydrophobicContact CB-CG 3.86Å; L322-P342 HydrophobicContact CD1-CG 4.47Å; L322-P342 WeakPolarHBondContact O-CD 2.92Å
343F73.8Confident86.9Confident189 Ų18955.3 Ų55.383%0.82927%0.265SS*.SBendtrans-117.6-16.1-174.1-53.4-69.3000113.4S341S341-F343 PolarHBondContact O-N 3.45Å; S341-F343 VanDerWaalsContact O-N 3.12Å
344K78.6Confident86.9Confident129 Ų12954.4 Ų54.456%0.56126%0.264SS*.  trans-146.8136.1-176.2-66.9-179.1-176.6164.70111.1S341S341-K344 WeakPolarHBondContact CA-O 3.25Å; S341-K344 WeakPolarHBondContact CB-O 3.5Å; S341-K344 PolarHBondContact N-O 3.18Å; S341-K344 PolarHBondContact OG-N 3.46Å; S341-K344 PolarHBondContact OG-O 2.92Å
345S82.9Confident86.9Confident56 Ų5647.8 Ų47.839%0.39224%0.243SC..EExtended strand (participates in β ladder)trans-104.2133161164.90000109.7E338E338-S345 VanDerWaalsContact CD-OG 3.32Å; E338-S345 WeakPolarHBondContact CG-OG 3.27Å; E338-S345 WeakPolarHBondContact OE1-CB 3.45Å; E338-S345 PolarHBondContact OE1-OG 3.34Å
346C87.2Confident86.8Confident9 Ų947.1 Ų47.16%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-118.5121.1174.8-172.30000110.4V316 E338 V339V316-C346 HydrophobicContact CG1-CB 3.74Å; V316-C346 WeakPolarHBondContact CG1-SG 3.31Å; E338-C346 WeakPolarHBondContact CA-O 3.4Å; V339-C346 PolarHBondContact N-O 2.97Å; V339-C346 PolarHBondContact O-N 3.27Å
347M89.6Confident86.7Confident7 Ų751.3 Ų51.33%0.03426%0.258CS..EExtended strand (participates in β ladder)trans-95.5125.5174.5-169.5176.1-78.600110.8R283 W291R283-M347 HydrophobicContact CB-CB 4.01Å; R283-M347 PolarHBondContact N-O 3.43Å; R283-M347 PolarHBondContact NH1-SD 2.91Å; W291-M347 HydrophobicContact CH2-CB 4.49Å; W291-M347 HydrophobicContact CH2-CG 3.69Å; W291-M347 HydrophobicContact CH2-SD 3.9Å; W291-M347 HydrophobicContact CZ2-CG 4.31Å; W291-M347 HydrophobicContact CZ2-SD 3.92Å
348L92.5Very high86.6Confident1 Ų151.7 Ų51.71%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-123.9153.5-175.4-60.5175.6000110.7L280 F281 K282 F296 L303 C336 F337 V339L280-L348 HydrophobicContact CD1-CD1 4.21Å; F281-L348 CarbonylContact O-C 3.56Å; F281-L348 VanDerWaalsContact O-CA 3.25Å; F281-L348 WeakPolarHBondContact O-CA 3.41Å; K282-L348 HydrophobicContact CB-CD2 3.82Å; K282-L348 HydrophobicContact CG-CD2 4.14Å; F296-L348 HydrophobicContact CE1-CD1 4.34Å; F296-L348 HydrophobicContact CE1-CD2 3.73Å; F296-L348 HydrophobicContact CE2-CD2 4.19Å; F296-L348 HydrophobicContact CZ-CD2 3.47Å; F296-L348 VanDerWaalsContact CZ-CD2 3.47Å; L303-L348 HydrophobicContact CD2-CD1 4.02Å; C336-L348 CarbonylContact C-O 3.55Å; C336-L348 VanDerWaalsContact CA-O 3.27Å; C336-L348 WeakPolarHBondContact CA-O 3.4Å; F337-L348 HydrophobicContact CD1-CB 4.23Å; F337-L348 HydrophobicContact CD2-CB 4.35Å; F337-L348 HydrophobicContact CE1-CB 3.78Å; F337-L348 HydrophobicContact CE2-CB 3.93Å; F337-L348 HydrophobicContact CE2-CD1 3.74Å; F337-L348 HydrophobicContact CE2-CG 4.41Å; F337-L348 HydrophobicContact CZ-CB 3.63Å; F337-L348 HydrophobicContact CZ-CD1 3.83Å; F337-L348 HydrophobicContact CZ-CG 4.38Å; F337-L348 PolarHBondContact N-O 2.99Å; F337-L348 PolarHBondContact O-N 3.43Å; F337-L348 VanDerWaalsContact O-O 3.09Å; V339-L348 HydrophobicContact CG2-CD1 4.29Å
349Q92.3Very high86.6Confident30 Ų3050 Ų5014%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-135.8128.6178.7171-176.926.700109.8F281 W291 R334F281-Q349 HydrophobicContact CB-CB 4.04Å; F281-Q349 PolarHBondContact N-O 3.38Å; F281-Q349 PolarHBondContact O-N 2.96Å; W291-Q349 HydrophobicContact CE3-CB 4.2Å; W291-Q349 HydrophobicContact CH2-CB 4.05Å; W291-Q349 HydrophobicContact CZ3-CB 3.54Å; R334-Q349 PolarHBondContact O-NE2 3.19Å
350A91.9Very high86.5Confident2 Ų250.7 Ų50.72%0.01726%0.257CS..  trans-93166.5174.200000111.8L280 F335 L355 R356L280-A350 HydrophobicContact CD2-CB 3.86Å; F335-A350 PolarHBondContact O-N 3.48Å; F335-A350 VanDerWaalsContact O-N 3.11Å; A350-L355 HydrophobicContact CB-CB 4.02Å; A350-R356 HydrophobicContact CB-CB 3.93Å
351E87.9Confident86.6Confident98 Ų9853.3 Ų53.346%0.45827%0.266SS..SBendtrans-84.3-20.5-177.7-64.3-179.2175.200112.9R293 L355R293-E351 IonicContact CZ-OE1 3.12Å; R293-E351 IonicContact NE-OE1 2.64Å; R293-E351 PolarHBondContact NE-OE1 3.48Å; R293-E351 VanDerWaalsContact NE-OE1 3.13Å; R293-E351 IonicContact NH2-OE1 3.42Å; R293-E351 PolarHBondContact NH2-OE1 2.96Å; R293-E351 IonicContact NH2-OE2 3.26Å; E351-L355 HydrophobicContact CB-CD1 4.16Å
352S86.1Confident86.9Confident39 Ų3952.3 Ų52.327%0.27326%0.259SS..SBendtrans-143160.8176.475.30000111.9K354 L355 R356S352-K354 PolarHBondContact O-N 2.94Å; S352-L355 PolarHBondContact O-N 3.44Å; S352-L355 WeakPolarHBondContact OG-CB 3.41Å; S352-L355 WeakPolarHBondContact OG-CG 3.24Å; S352-L355 PolarHBondContact OG-N 3Å; S352-L355 VanDerWaalsContact OG-N 3.09Å; S352-R356 WeakPolarHBondContact O-CB 3.44Å; S352-R356 PolarHBondContact O-N 3.39Å
353E86.2Confident87.5Confident67 Ų6748.4 Ų48.431%0.31323%0.233SC..Hα-helixtrans-60.6-35.6175.5179.253.3-153.400112F335 R356 Q357F335-E353 HydrophobicContact CD1-CB 3.96Å; F335-E353 HydrophobicContact CE1-CB 3.81Å; E353-R356 VanDerWaalsContact CD-NE 3.33Å; E353-R356 WeakPolarHBondContact O-CB 3.34Å; E353-R356 PolarHBondContact O-N 3.47Å; E353-R356 IonicContact OE1-CZ 2.73Å; E353-R356 IonicContact OE1-NE 3.45Å; E353-R356 PolarHBondContact OE1-NE 3.08Å; E353-R356 IonicContact OE1-NH2 3.11Å; E353-R356 PolarHBondContact OE1-NH2 3.46Å; E353-R356 IonicContact OE2-CZ 3.85Å; E353-R356 IonicContact OE2-NE 2.65Å; E353-R356 PolarHBondContact OE2-NE 3.46Å; E353-R356 IonicContact OE2-NH2 2.63Å; E353-Q357 WeakPolarHBondContact O-CG 3.49Å; E353-Q357 PolarHBondContact O-N 3.17Å; E353-Q357 PolarHBondContact OE1-NE2 3.29Å
354K84.2Confident88.2Confident82 Ų8244 Ų4436%0.35722%0.215SC..Hα-helixtrans-67.4-45.7176.7-167.9179-162.3162.20112.1D261 S352 R356 Q357 A358D261-K354 VanDerWaalsContact CG-CD 3.45Å; D261-K354 VanDerWaalsContact O-CE 3.25Å; D261-K354 WeakPolarHBondContact O-CE 3.48Å; D261-K354 PolarHBondContact O-NZ 3.23Å; D261-K354 WeakPolarHBondContact OD1-CD 3.19Å; D261-K354 IonicContact OD1-NZ 2.8Å; D261-K354 PolarHBondContact OD1-NZ 3.36Å; D261-K354 IonicContact OD2-NZ 3.77Å; D261-K354 PolarHBondContact OD2-NZ 3.43Å; S352-K354 PolarHBondContact O-N 2.94Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 PolarHBondContact O-N 2.79Å; K354-Q357 PolarHBondContact O-N 2.97Å; K354-A358 WeakPolarHBondContact O-CB 3.3Å; K354-A358 PolarHBondContact O-N 2.97Å
355L87.8Confident88.6Confident49 Ų4939 Ų3926%0.25720%0.198SC..Hα-helixtrans-62.1-40.2175.2-76171.6000110.8V264 A350 E351 S352 Q357 A358 W359V264-L355 HydrophobicContact CG1-CD2 3.94Å; V264-L355 HydrophobicContact CG2-CD2 3.94Å; A350-L355 HydrophobicContact CB-CB 4.02Å; E351-L355 HydrophobicContact CB-CD1 4.16Å; S352-L355 PolarHBondContact O-N 3.44Å; S352-L355 WeakPolarHBondContact OG-CB 3.41Å; S352-L355 WeakPolarHBondContact OG-CG 3.24Å; S352-L355 PolarHBondContact OG-N 3Å; S352-L355 VanDerWaalsContact OG-N 3.09Å; L355-Q357 PolarHBondContact O-N 2.82Å; L355-A358 PolarHBondContact O-N 2.74Å; L355-W359 WeakPolarHBondContact O-CB 3.37Å; L355-W359 PolarHBondContact O-N 2.94Å
356R89.8Confident88.7Confident39 Ų3936.3 Ų36.315%0.14718%0.18CC..Hα-helixtrans-57.8-48.6175-172.5-171.680.190.41.6111.5F335 F337 A350 S352 E353 K354 W359 I360F335-R356 VanDerWaalsContact C-CD 3.44Å; F335-R356 VanDerWaalsContact CA-CD 3.47Å; F335-R356 HydrophobicContact CB-CB 4.32Å; F337-R356 HydrophobicContact CD1-CG 4.06Å; A350-R356 HydrophobicContact CB-CB 3.93Å; S352-R356 WeakPolarHBondContact O-CB 3.44Å; S352-R356 PolarHBondContact O-N 3.39Å; E353-R356 VanDerWaalsContact CD-NE 3.33Å; E353-R356 WeakPolarHBondContact O-CB 3.34Å; E353-R356 PolarHBondContact O-N 3.47Å; E353-R356 IonicContact OE1-CZ 2.73Å; E353-R356 IonicContact OE1-NE 3.45Å; E353-R356 PolarHBondContact OE1-NE 3.08Å; E353-R356 IonicContact OE1-NH2 3.11Å; E353-R356 PolarHBondContact OE1-NH2 3.46Å; E353-R356 IonicContact OE2-CZ 3.85Å; E353-R356 IonicContact OE2-NE 2.65Å; E353-R356 PolarHBondContact OE2-NE 3.46Å; E353-R356 IonicContact OE2-NH2 2.63Å; K354-R356 VanDerWaalsContact C-N 3.29Å; K354-R356 PolarHBondContact O-N 2.79Å; R356-W359 PolarHBondContact O-N 2.96Å; R356-I360 HydrophobicContact CG-CD1 4.03Å; R356-I360 WeakPolarHBondContact O-CB 3.42Å; R356-I360 VanDerWaalsContact O-CG1 3.23Å; R356-I360 WeakPolarHBondContact O-CG1 3.43Å; R356-I360 PolarHBondContact O-N 3.01Å
357Q88.8Confident88.6Confident90 Ų9036.7 Ų36.742%0.42118%0.181SC..Hα-helixtrans-63.1-43.8177.8-72.7173.68.700111.7E353 K354 L355 I360 Q361E353-Q357 WeakPolarHBondContact O-CG 3.49Å; E353-Q357 PolarHBondContact O-N 3.17Å; E353-Q357 PolarHBondContact OE1-NE2 3.29Å; K354-Q357 PolarHBondContact O-N 2.97Å; L355-Q357 PolarHBondContact O-N 2.82Å; Q357-I360 PolarHBondContact O-N 3.17Å; Q357-Q361 WeakPolarHBondContact O-CB 3.49Å; Q357-Q361 VanDerWaalsContact O-CG 3.27Å; Q357-Q361 WeakPolarHBondContact O-CG 3.42Å; Q357-Q361 PolarHBondContact O-N 3.3Å
358A88.6Confident88.3Confident8 Ų838.3 Ų38.37%0.06620%0.195CC..Hα-helixtrans-62.8-44.1177.600000112.6V264 M276 K354 L355 Q361 A362V264-A358 HydrophobicContact CB-CB 4.31Å; V264-A358 HydrophobicContact CG1-CB 3.4Å; M276-A358 HydrophobicContact CE-CB 3.97Å; K354-A358 WeakPolarHBondContact O-CB 3.3Å; K354-A358 PolarHBondContact O-N 2.97Å; L355-A358 PolarHBondContact O-N 2.74Å; A358-Q361 PolarHBondContact O-N 3.09Å; A358-A362 VanDerWaalsContact O-CB 3.29Å; A358-A362 WeakPolarHBondContact O-CB 3.39Å; A358-A362 PolarHBondContact O-N 3.12Å
359W91Very high87.8Confident6 Ų639.2 Ų39.22%0.02320%0.202CC..Hα-helixtrans-64.2-41175.5-84.7104.8000112.3M276 L280 F296 I298 F337 L355 R356 V363M276-W359 HydrophobicContact CB-CH2 4.5Å; M276-W359 HydrophobicContact CB-CZ3 4.31Å; M276-W359 HydrophobicContact CE-CD2 3.84Å; M276-W359 HydrophobicContact CE-CG 3.83Å; M276-W359 HydrophobicContact CE-CZ2 4.38Å; M276-W359 HydrophobicContact CG-CD2 4.36Å; M276-W359 HydrophobicContact CG-CE3 4.28Å; M276-W359 HydrophobicContact CG-CH2 4.09Å; M276-W359 HydrophobicContact CG-CZ2 4.17Å; M276-W359 HydrophobicContact CG-CZ3 4.15Å; M276-W359 HydrophobicContact SD-CB 4.47Å; M276-W359 HydrophobicContact SD-CD2 3.58Å; M276-W359 VanDerWaalsContact SD-CD2 3.58Å; M276-W359 HydrophobicContact SD-CE3 3.76Å; M276-W359 HydrophobicContact SD-CG 3.92Å; M276-W359 HydrophobicContact SD-CZ2 4.39Å; M276-W359 HydrophobicContact SD-CZ3 4.25Å; L280-W359 HydrophobicContact CD1-CD2 3.75Å; L280-W359 HydrophobicContact CD1-CE3 3.96Å; L280-W359 HydrophobicContact CD1-CG 4.19Å; L280-W359 HydrophobicContact CD1-CH2 4.34Å; L280-W359 HydrophobicContact CD1-CZ2 4.14Å; L280-W359 HydrophobicContact CD1-CZ3 4.24Å; L280-W359 HydrophobicContact CD2-CD2 4.33Å; L280-W359 HydrophobicContact CD2-CG 4.14Å; L280-W359 HydrophobicContact CG-CD2 4.3Å; L280-W359 HydrophobicContact CG-CZ2 4.2Å; F296-W359 HydrophobicContact CB-CH2 3.79Å; F296-W359 HydrophobicContact CB-CZ2 4.44Å; F296-W359 HydrophobicContact CB-CZ3 4.26Å; I298-W359 HydrophobicContact CD1-CE3 4.03Å; I298-W359 HydrophobicContact CD1-CZ3 3.89Å; I298-W359 HydrophobicContact CG1-CZ3 3.99Å; F337-W359 HydrophobicContact CE1-CB 4.18Å; F337-W359 HydrophobicContact CZ-CB 3.82Å; F337-W359 HydrophobicContact CZ-CG 4.41Å; L355-W359 WeakPolarHBondContact O-CB 3.37Å; L355-W359 PolarHBondContact O-N 2.94Å; R356-W359 PolarHBondContact O-N 2.96Å; W359-V363 WeakPolarHBondContact O-CB 3.41Å; W359-V363 VanDerWaalsContact O-CG2 3.25Å; W359-V363 WeakPolarHBondContact O-CG2 3.4Å; W359-V363 PolarHBondContact O-N 2.87Å
360I90.2Very high87.1Confident15 Ų1537.8 Ų37.88%0.07720%0.195CC..Hα-helixtrans-62.5-47.5174.7-69.4168.6000110.2V325 P327 F337 R356 Q357 V363 Q364V325-I360 HydrophobicContact CG1-CG2 4.17Å; V325-I360 HydrophobicContact CG2-CB 4.46Å; V325-I360 HydrophobicContact CG2-CG1 4.1Å; V325-I360 HydrophobicContact CG2-CG2 4.28Å; P327-I360 HydrophobicContact CB-CD1 4.27Å; F337-I360 HydrophobicContact CB-CD1 3.82Å; F337-I360 HydrophobicContact CB-CG1 3.88Å; F337-I360 HydrophobicContact CD2-CG1 4.08Å; F337-I360 HydrophobicContact CG-CD1 4.37Å; F337-I360 HydrophobicContact CG-CG1 3.96Å; R356-I360 HydrophobicContact CG-CD1 4.03Å; R356-I360 WeakPolarHBondContact O-CB 3.42Å; R356-I360 VanDerWaalsContact O-CG1 3.23Å; R356-I360 WeakPolarHBondContact O-CG1 3.43Å; R356-I360 PolarHBondContact O-N 3.01Å; Q357-I360 PolarHBondContact O-N 3.17Å; I360-V363 PolarHBondContact O-N 2.78Å; I360-Q364 HydrophobicContact CG2-CG 4.4Å; I360-Q364 VanDerWaalsContact O-CG 3.3Å; I360-Q364 WeakPolarHBondContact O-CG 3.19Å; I360-Q364 PolarHBondContact O-N 2.79Å
361Q89.6Confident86.3Confident99 Ų9945 Ų4546%0.46322%0.223SC..Hα-helixtrans-63.2-42.8179.3-74.5174.60.600111.9F266 Q357 A358 Q364 A365F266-Q361 HydrophobicContact CE1-CB 3.88Å; F266-Q361 HydrophobicContact CZ-CB 3.97Å; Q357-Q361 WeakPolarHBondContact O-CB 3.49Å; Q357-Q361 VanDerWaalsContact O-CG 3.27Å; Q357-Q361 WeakPolarHBondContact O-CG 3.42Å; Q357-Q361 PolarHBondContact O-N 3.3Å; A358-Q361 PolarHBondContact O-N 3.09Å; Q361-Q364 PolarHBondContact O-N 3.18Å; Q361-A365 VanDerWaalsContact O-CB 3.25Å; Q361-A365 WeakPolarHBondContact O-CB 3.25Å; Q361-A365 PolarHBondContact O-N 2.8Å
362A88.8Confident85.5Confident0 Ų049.6 Ų49.60%024%0.236CC..Hα-helixtrans-60.9-46.2176.100000111.3F266 M276 I298 A358 A365 S366F266-A362 HydrophobicContact CB-CB 3.82Å; F266-A362 HydrophobicContact CD1-CB 4.26Å; F266-A362 HydrophobicContact CD2-CB 4.18Å; F266-A362 HydrophobicContact CG-CB 3.83Å; M276-A362 HydrophobicContact CB-CB 4.05Å; M276-A362 HydrophobicContact CG-CB 4.45Å; M276-A362 HydrophobicContact SD-CB 3.53Å; M276-A362 VanDerWaalsContact SD-CB 3.53Å; I298-A362 HydrophobicContact CD1-CB 4.03Å; A358-A362 VanDerWaalsContact O-CB 3.29Å; A358-A362 WeakPolarHBondContact O-CB 3.39Å; A358-A362 PolarHBondContact O-N 3.12Å; A362-A365 PolarHBondContact O-N 2.87Å; A362-S366 WeakPolarHBondContact O-CB 3.44Å; A362-S366 PolarHBondContact O-N 2.85Å; A362-S366 PolarHBondContact O-OG 3.26Å; A362-S366 VanDerWaalsContact O-OG 3.07Å
363V89Confident84.2Confident1 Ų152.3 Ų52.31%0.00625%0.245CC..Hα-helixtrans-62.7-44.5176173.80000111.1I298 L320 V325 W359 I360 A365 S366 I367I298-V363 HydrophobicContact CD1-CG2 3.61Å; L320-V363 HydrophobicContact CD2-CG1 4.2Å; V325-V363 HydrophobicContact CB-CB 4.4Å; V325-V363 HydrophobicContact CB-CG1 3.8Å; V325-V363 HydrophobicContact CG1-CB 4.16Å; V325-V363 HydrophobicContact CG1-CG1 3.83Å; V325-V363 HydrophobicContact CG2-CG1 4.31Å; W359-V363 WeakPolarHBondContact O-CB 3.41Å; W359-V363 VanDerWaalsContact O-CG2 3.25Å; W359-V363 WeakPolarHBondContact O-CG2 3.4Å; W359-V363 PolarHBondContact O-N 2.87Å; I360-V363 PolarHBondContact O-N 2.78Å; V363-A365 VanDerWaalsContact C-N 3.35Å; V363-A365 PolarHBondContact O-N 2.94Å; V363-S366 PolarHBondContact O-N 3.33Å; V363-I367 HydrophobicContact CG1-CD1 3.8Å; V363-I367 HydrophobicContact CG1-CG1 4.39Å; V363-I367 WeakPolarHBondContact O-CD1 3.39Å; V363-I367 WeakPolarHBondContact O-CG1 3.48Å; V363-I367 PolarHBondContact O-N 2.68Å
364Q89.5Confident82Confident96 Ų9652.1 Ų52.145%0.44925%0.251SS..Hα-helixtrans-61-42.6175.8-72.7174.9-18.500112.3V325 I360 Q361 I367 A368V325-Q364 HydrophobicContact CG1-CB 4.46Å; V325-Q364 HydrophobicContact CG1-CG 3.33Å; I360-Q364 HydrophobicContact CG2-CG 4.4Å; I360-Q364 VanDerWaalsContact O-CG 3.3Å; I360-Q364 WeakPolarHBondContact O-CG 3.19Å; I360-Q364 PolarHBondContact O-N 2.79Å; Q361-Q364 PolarHBondContact O-N 3.18Å; Q364-I367 PolarHBondContact O-N 3.4Å; Q364-A368 WeakPolarHBondContact O-CB 3.44Å; Q364-A368 PolarHBondContact O-N 2.89Å
365A86.1Confident80.2Confident24 Ų2452.5 Ų52.520%0.19826%0.261CS..Hα-helixtrans-66.6-39.6178.900000111.4F266 V268 Q361 A362 V363 A368 S369F266-A365 HydrophobicContact CD2-CB 4.48Å; F266-A365 HydrophobicContact CE2-CB 3.89Å; V268-A365 HydrophobicContact CG2-CB 3.7Å; Q361-A365 VanDerWaalsContact O-CB 3.25Å; Q361-A365 WeakPolarHBondContact O-CB 3.25Å; Q361-A365 PolarHBondContact O-N 2.8Å; A362-A365 PolarHBondContact O-N 2.87Å; V363-A365 VanDerWaalsContact C-N 3.35Å; V363-A365 PolarHBondContact O-N 2.94Å; A365-A368 PolarHBondContact O-N 3Å; A365-S369 WeakPolarHBondContact O-CB 2.97Å; A365-S369 PolarHBondContact O-N 2.85Å
366S86.2Confident77.7Confident1 Ų156.9 Ų56.91%0.00729%0.285CS..Hα-helixtrans-65.3-40.7172.8-62.70000112.6I298 A362 V363 S369 A370I298-S366 WeakPolarHBondContact CG2-OG 3.5Å; A362-S366 WeakPolarHBondContact O-CB 3.44Å; A362-S366 PolarHBondContact O-N 2.85Å; A362-S366 PolarHBondContact O-OG 3.26Å; A362-S366 VanDerWaalsContact O-OG 3.07Å; V363-S366 PolarHBondContact O-N 3.33Å; S366-S369 PolarHBondContact O-N 3Å; S366-A370 VanDerWaalsContact O-CB 3.29Å; S366-A370 WeakPolarHBondContact O-CB 3.33Å; S366-A370 PolarHBondContact O-N 3.47Å
367I85.1Confident75.1Confident16 Ų1660.9 Ų60.98%0.08231%0.314CS..Hα-helixtrans-59.6-48.5173.2-65.8162.9000110L320 C323 V325 V363 Q364 S369 A370 Y371L320-I367 HydrophobicContact CB-CG1 4.12Å; L320-I367 WeakPolarHBondContact O-CG1 3.5Å; C323-I367 WeakPolarHBondContact O-CD1 3.29Å; V325-I367 HydrophobicContact CG1-CD1 4.39Å; V363-I367 HydrophobicContact CG1-CD1 3.8Å; V363-I367 HydrophobicContact CG1-CG1 4.39Å; V363-I367 WeakPolarHBondContact O-CD1 3.39Å; V363-I367 WeakPolarHBondContact O-CG1 3.48Å; V363-I367 PolarHBondContact O-N 2.68Å; Q364-I367 PolarHBondContact O-N 3.4Å; I367-S369 VanDerWaalsContact C-N 3.34Å; I367-S369 PolarHBondContact O-N 3.44Å; I367-A370 PolarHBondContact O-N 2.85Å; I367-Y371 HydrophobicContact CG2-CD2 3.86Å; I367-Y371 HydrophobicContact CG2-CE2 3.45Å; I367-Y371 VanDerWaalsContact CG2-CE2 3.45Å; I367-Y371 WeakPolarHBondContact O-CD2 3.46Å; I367-Y371 PolarHBondContact O-N 3.31Å; I367-Y371 VanDerWaalsContact O-N 3.11Å
368A83.5Confident72.6Confident42 Ų4260.5 Ų60.535%0.34731%0.311SS..Hα-helixtrans-66.4-31.617900000113.5Q364 A365 R372Q364-A368 WeakPolarHBondContact O-CB 3.44Å; Q364-A368 PolarHBondContact O-N 2.89Å; A365-A368 PolarHBondContact O-N 3Å; A368-R372 WeakPolarHBondContact O-CG 3.48Å; A368-R372 PolarHBondContact O-NE 2.63Å
369S82.1Confident70.2Confident19 Ų1968.9 Ų68.913%0.13334%0.342CS..Hα-helixtrans-68.7-46.9172.7-158.70000111.1A365 S366 I367 Y371 R372 E373A365-S369 WeakPolarHBondContact O-CB 2.97Å; A365-S369 PolarHBondContact O-N 2.85Å; S366-S369 PolarHBondContact O-N 3Å; I367-S369 VanDerWaalsContact C-N 3.34Å; I367-S369 PolarHBondContact O-N 3.44Å; S369-Y371 PolarHBondContact O-N 3.46Å; S369-R372 WeakPolarHBondContact O-CA 3.33Å; S369-R372 PolarHBondContact O-N 2.92Å; S369-E373 PolarHBondContact O-N 3.1Å
370A76.3Confident67.6Low1 Ų176.1 Ų76.11%0.00838%0.38CS..Hα-helixtrans-63.7-28.4-178.900000112.6N301 R321 S366 I367N301-A370 HydrophobicContact CB-CB 4.02Å; N301-A370 VanDerWaalsContact CG-CB 3.46Å; N301-A370 WeakPolarHBondContact OD1-CB 3.49Å; R321-A370 WeakPolarHBondContact CD-O 3.38Å; R321-A370 HydrophobicContact CG-CB 3.2Å; S366-A370 VanDerWaalsContact O-CB 3.29Å; S366-A370 WeakPolarHBondContact O-CB 3.33Å; S366-A370 PolarHBondContact O-N 3.47Å; I367-A370 PolarHBondContact O-N 2.85Å
371Y76.1Confident64.7Low153 Ų15383.8 Ų83.860%0.642%0.415SS*.Hα-helixtrans-72-25.5170.1-77.5-60.3000114.7R321 I367 S369R321-Y371 HydrophobicContact CB-CE1 4.47Å; R321-Y371 PolarHBondContact O-OH 2.8Å; I367-Y371 HydrophobicContact CG2-CD2 3.86Å; I367-Y371 HydrophobicContact CG2-CE2 3.45Å; I367-Y371 VanDerWaalsContact CG2-CE2 3.45Å; I367-Y371 WeakPolarHBondContact O-CD2 3.46Å; I367-Y371 PolarHBondContact O-N 3.31Å; I367-Y371 VanDerWaalsContact O-N 3.11Å; S369-Y371 PolarHBondContact O-N 3.46Å
372R70.9Confident62.2Low194 Ų19485.1 Ų85.173%0.73242%0.421SS*.Hα-helixtrans-85.1-22.5-179.1-76.2-176.4-79.4-1762112.8A368 S369 S374A368-R372 WeakPolarHBondContact O-CG 3.48Å; A368-R372 PolarHBondContact O-NE 2.63Å; S369-R372 WeakPolarHBondContact O-CA 3.33Å; S369-R372 PolarHBondContact O-N 2.92Å; R372-S374 PolarHBondContact O-N 3.06Å
373E58.8Low59.7Low97 Ų9791.2 Ų91.245%0.45345%0.453SS..SBendtrans-75.4116172.4-70.4176.9163.600110.4N301 S369N301-E373 PolarHBondContact ND2-OE2 3.19Å; S369-E373 PolarHBondContact O-N 3.1Å
374S39.4Very low56.8Low63 Ų6398.6 Ų98.644%0.44149%0.493SS..  trans-56143.8176.1-177.70000111.2R372 D376R372-S374 PolarHBondContact O-N 3.06Å; S374-D376 PolarHBondContact O-N 3.21Å
375P46.6Very low54.3Low89 Ų89105 Ų10558%0.57851%0.513SS*.THydrogen-bonded Turntrans-57.4-17.6179.4-21.832.1000114.9
376D35.8Very low51.7Low142 Ų142110 Ų11076%0.75954%0.541SS*.THydrogen-bonded Turntrans-85-7.7-168.7-70.2-31.8000115.2S374S374-D376 PolarHBondContact O-N 3.21Å
377T34.1Very low48.8Very low123 Ų123114.3 Ų114.376%0.75558%0.577SS**SBendtrans-107-7.7-176.2-28.80000113.9
378F38Very low46.4Very low81 Ų81118.2 Ų118.236%0.35561%0.605SS.*SBendtrans-90.5-11.9-172.3-156.6-97.2000114.9
379Y37.6Very low44.1Very low185 Ų185122 Ų12273%0.72563%0.626SS**SBendtrans-93.9-1.6-166.8-82.7-82.2000116.3
380I35.5Very low41.5Very low158 Ų158126.4 Ų126.481%0.8166%0.657SS**SBendtrans-104.6-14.9-171.2-63.8-175.8000114.7
381E29.1Very low39.2Very low176 Ų176132.6 Ų132.682%0.82270%0.695SS**SBendtrans-120.6-10-172.4-83.6-172.1154.900118.8
382H38.3Very low37.1Very low127 Ų127131 Ų13159%0.58871%0.706SS**THydrogen-bonded Turntrans-113.755-168.3-93.7-58.4000117.3N300N300-H382 PolarHBondContact ND2-NE2 3.4Å
383L36.2Very low35.1Very low127 Ų127126.3 Ų126.367%0.66570%0.703SS**THydrogen-bonded Turntrans-1251.3164.1-82.9157.4000115.7R385 T409L383-R385 PolarHBondContact O-N 3.25Å; L383-T409 HydrophobicContact CD1-CG2 3.38Å; L383-T409 HydrophobicContact CD2-CG2 3.71Å; L383-T409 HydrophobicContact CG-CG2 4.06Å
384D28.5Very low33.9Very low156 Ų156128.6 Ų128.683%0.83472%0.717SS**SBendtrans-98.653.2173.8-91.2-13.9000112.5
385R35.8Very low33.2Very low231 Ų231133.1 Ų133.187%0.87274%0.736SS**SBendtrans179.2130.1149.7-107.7164.6167.4-159.7-2.9111.5L383L383-R385 PolarHBondContact O-N 3.25Å
386T32.8Very low32.6Very low129 Ų129134.2 Ų134.279%0.79175%0.746SS**  trans90.278.7166.279.10000118.2
387A25.2Very low32.1Very low92 Ų92132.2 Ų132.276%0.7675%0.749SS**  trans-137118.1134.900000106
388S33.4Very low32.3Very low98 Ų98131.9 Ų131.969%0.68575%0.752SS**  174.2-162.771.2-61.50000108.3
389P36Very low31.6Very low121 Ų121136.9 Ų136.979%0.78678%0.776SS**  -113.1-179.9-87.833.4-13.9000110.9
390S26.1Very low31.1Very low111 Ų111132.8 Ų132.878%0.77677%0.772SS**  trans-145.3111.7167.1-53.10000112.5
391T29.8Very low31Very low132 Ų132137.3 Ų137.381%0.8178%0.78SS**  trans-146.2144.7138.649.90000109.1
392S30.2Very low30.7Very low118 Ų118134.3 Ų134.383%0.82577%0.765SS**  trans-69.8168.7-17050.70000114.7
393S29.5Very low30.5Very low96 Ų96140.6 Ų140.667%0.67178%0.784SS**  cis-167.2152.821.594.90000111.5
394I34.8Very low30.1Very low146 Ų146139.5 Ų139.575%0.74979%0.787SS**  trans51.7109.4146.4-48.4163.5000119.2
395D24.6Very low30.3Very low157 Ų157136.8 Ų136.884%0.8479%0.786SS**  -169.6158.5104.7-126.9-23.8000112.8
396S32.8Very low30.2Very low112 Ų112137.5 Ų137.578%0.78379%0.789SS**  trans-77.6141-168-56.20000114.6
397A26.1Very low30.3Very low101 Ų101134.1 Ų134.184%0.83578%0.78SS**  trans167.5136.913300000111.6
398S37.1Very low31.6Very low116 Ų116136.6 Ų136.681%0.81178%0.775SS**  trans-67.4124.9178.145.90000114
399E24.9Very low33.3Very low185 Ų185133.3 Ų133.386%0.86475%0.751SS**  trans-151.2152.2161.6-90.4-78.3133.500109.4
400P26.1Very low34.8Very low99 Ų99130.7 Ų130.764%0.64373%0.73SS**PPolyproline II helixtrans-83.6147.1-154.332.2-32.3000114.7E402P400-E402 PolarHBondContact O-N 3.14Å
401R33.5Very low37.1Very low254 Ų254127 Ų12796%0.95870%0.702SS**PPolyproline II helixtrans-57116.6179.3-70.2177.3173.3175.6-2.3112.7
402E23.7Very low39.5Very low113 Ų113125.7 Ų125.753%0.52869%0.686SS.*PPolyproline II helixtrans-99.8127.6151.8-80.2-164.3129.900110.7P400 S404 K551P400-E402 PolarHBondContact O-N 3.14Å; E402-S404 PolarHBondContact O-N 3.08Å; E402-S404 VanDerWaalsContact O-N 3.1Å; E402-K551 VanDerWaalsContact OE1-CD 3.25Å; E402-K551 WeakPolarHBondContact OE1-CD 3.37Å; E402-K551 WeakPolarHBondContact OE1-CE 3.22Å; E402-K551 WeakPolarHBondContact OE1-CG 3.31Å; E402-K551 IonicContact OE1-NZ 2.77Å; E402-K551 PolarHBondContact OE1-NZ 2.9Å; E402-K551 WeakPolarHBondContact OE2-CE 3.47Å; E402-K551 IonicContact OE2-NZ 3.37Å; E402-K551 PolarHBondContact OE2-NZ 3.47Å
403R33.7Very low41.9Very low259 Ų259124.1 Ų124.198%0.97766%0.662SS**  trans-67.3101.7170.7-78.7175168.6166.8-4.6108.9
404S28.3Very low44.6Very low103 Ų103119.6 Ų119.672%0.7263%0.63SS**  trans-99.7130.8167.3-175.90000109.5E402 R406E402-S404 PolarHBondContact O-N 3.08Å; E402-S404 VanDerWaalsContact O-N 3.1Å; S404-R406 PolarHBondContact O-N 2.84Å
405A31.1Very low47Very low99 Ų99114.4 Ų114.482%0.81860%0.603SS**  trans-50.8123.3177.500000111.5
406R35.1Very low49.8Very low246 Ų246110.1 Ų110.193%0.92860%0.596SS**  trans-127.7113.7174.1-77.4-173.6177.4-178.1-0.3108.4S404S404-R406 PolarHBondContact O-N 2.84Å
407G35.2Very low52.4Low59 Ų59106.8 Ų106.861%0.60857%0.569SS**  trans154.81.1168.900000118.1T409G407-T409 PolarHBondContact O-N 3.49Å
408E52.2Low55.3Low143 Ų143106 Ų10667%0.66856%0.555SS**  trans-72.5123.6178.7-74.5179.1-17700111.7R413E408-R413 HydrophobicContact CB-CG 3.94Å
409T68.4Low57.8Low29 Ų29102.4 Ų102.418%0.17854%0.536CS..  trans-67.1154.1173.254.50000111.9L383 G407 L411 Q412 R413L383-T409 HydrophobicContact CD1-CG2 3.38Å; L383-T409 HydrophobicContact CD2-CG2 3.71Å; L383-T409 HydrophobicContact CG-CG2 4.06Å; G407-T409 PolarHBondContact O-N 3.49Å; T409-L411 PolarHBondContact O-N 2.91Å; T409-L411 VanDerWaalsContact O-N 3.14Å; T409-Q412 PolarHBondContact O-N 3.46Å; T409-Q412 VanDerWaalsContact OG1-CG 3.23Å; T409-Q412 WeakPolarHBondContact OG1-CG 3.33Å; T409-Q412 PolarHBondContact OG1-N 2.87Å; T409-Q412 PolarHBondContact OG1-OE1 3.18Å; T409-R413 PolarHBondContact O-N 3.06Å
410I67.9Low61Low67 Ų6793.6 Ų93.634%0.34450%0.495SS..Hα-helixtrans-47.4-42.6172.3-70.6172.2000111R413 I414 W468 L473I410-R413 PolarHBondContact O-N 3.41Å; I410-I414 HydrophobicContact CG2-CD1 4.02Å; I410-I414 WeakPolarHBondContact O-CG1 3.49Å; I410-I414 PolarHBondContact O-N 3.09Å; I410-I414 VanDerWaalsContact O-N 3.09Å; I410-W468 HydrophobicContact CD1-CB 4.29Å; I410-W468 HydrophobicContact CG2-CG 4.44Å; I410-L473 HydrophobicContact CB-CD1 4.47Å; I410-L473 HydrophobicContact CG1-CD2 4.04Å; I410-L473 HydrophobicContact CG2-CD1 3.78Å
411L74.5Confident64.2Low34 Ų3495.7 Ų95.718%0.17850%0.496CS..Hα-helixtrans-61.1-49178.2-172.163.5000112.1T409 R413 I414 Q415 L463T409-L411 PolarHBondContact O-N 2.91Å; T409-L411 VanDerWaalsContact O-N 3.14Å; L411-R413 VanDerWaalsContact C-N 3.35Å; L411-R413 PolarHBondContact O-N 3.48Å; L411-I414 PolarHBondContact O-N 3.12Å; L411-Q415 HydrophobicContact CD1-CG 4.21Å; L411-Q415 HydrophobicContact CG-CG 4.46Å; L411-Q415 WeakPolarHBondContact O-CB 3.44Å; L411-Q415 VanDerWaalsContact O-CG 3.24Å; L411-Q415 WeakPolarHBondContact O-CG 3.36Å; L411-Q415 PolarHBondContact O-N 3.2Å; L411-L463 HydrophobicContact CD1-CB 3.86Å; L411-L463 HydrophobicContact CD1-CD1 3.74Å; L411-L463 HydrophobicContact CD1-CG 4.42Å
412Q78.9Confident67.1Low103 Ų10388.6 Ų88.648%0.48147%0.474SS..Hα-helixtrans-62.9-40177.1-74.6162.1-23.300112.1T409 G416T409-Q412 PolarHBondContact O-N 3.46Å; T409-Q412 VanDerWaalsContact OG1-CG 3.23Å; T409-Q412 WeakPolarHBondContact OG1-CG 3.33Å; T409-Q412 PolarHBondContact OG1-N 2.87Å; T409-Q412 PolarHBondContact OG1-OE1 3.18Å; Q412-G416 PolarHBondContact O-N 2.95Å
413R81.9Confident70.5Confident86 Ų8683.4 Ų83.433%0.32545%0.449SS..Hα-helixtrans-65.3-40.1179.9-70.2-179.964-170.2-2.6113.1E408 T409 I410 L411E408-R413 HydrophobicContact CB-CG 3.94Å; T409-R413 PolarHBondContact O-N 3.06Å; I410-R413 PolarHBondContact O-N 3.41Å; L411-R413 VanDerWaalsContact C-N 3.35Å; L411-R413 PolarHBondContact O-N 3.48Å
414I86.2Confident73.4Confident0 Ų071.1 Ų71.10%040%0.403CS..Hα-helixtrans-81.4-38.8178.2-57.5169.5000110.8I410 L411 G416 M417 N420 L441 L463 W468 L473 M476I410-I414 HydrophobicContact CG2-CD1 4.02Å; I410-I414 WeakPolarHBondContact O-CG1 3.49Å; I410-I414 PolarHBondContact O-N 3.09Å; I410-I414 VanDerWaalsContact O-N 3.09Å; L411-I414 PolarHBondContact O-N 3.12Å; I414-G416 VanDerWaalsContact C-N 3.26Å; I414-G416 PolarHBondContact O-N 2.99Å; I414-M417 WeakPolarHBondContact O-CB 3.23Å; I414-M417 WeakPolarHBondContact O-CG 3.25Å; I414-M417 PolarHBondContact O-N 3.42Å; I414-N420 WeakPolarHBondContact O-CB 3.48Å; I414-N420 PolarHBondContact O-ND2 3.03Å; I414-L441 HydrophobicContact CG2-CD1 4.04Å; I414-L441 HydrophobicContact CG2-CD2 3.83Å; I414-L441 HydrophobicContact CG2-CG 4.16Å; I414-L463 HydrophobicContact CD1-CD2 3.76Å; I414-W468 HydrophobicContact CD1-CH2 4.49Å; I414-W468 HydrophobicContact CD1-CZ3 4.33Å; I414-L473 HydrophobicContact CD1-CD1 3.5Å; I414-L473 HydrophobicContact CG1-CD1 3.55Å; I414-M476 HydrophobicContact CD1-CB 3.81Å; I414-M476 HydrophobicContact CD1-CG 4.33Å; I414-M476 HydrophobicContact CG1-CB 3.93Å; I414-M476 HydrophobicContact CG2-CB 4.01Å; I414-M476 HydrophobicContact CG2-CE 4.5Å
415Q84.6Confident76.6Confident37 Ų3766.2 Ų66.217%0.17337%0.369CS..Hα-helixtrans-65.8-27.4178.3-74.7-173.1-37.500113L411 M417 D430 P431 L441L411-Q415 HydrophobicContact CD1-CG 4.21Å; L411-Q415 HydrophobicContact CG-CG 4.46Å; L411-Q415 WeakPolarHBondContact O-CB 3.44Å; L411-Q415 VanDerWaalsContact O-CG 3.24Å; L411-Q415 WeakPolarHBondContact O-CG 3.36Å; L411-Q415 PolarHBondContact O-N 3.2Å; Q415-M417 PolarHBondContact O-N 3.09Å; Q415-D430 PolarHBondContact NE2-OD1 2.96Å; Q415-P431 PolarHBondContact NE2-O 3.02Å; Q415-L441 HydrophobicContact CG-CD1 4.19Å
416G83.1Confident79.6Confident67 Ų6761.7 Ų61.769%0.69133%0.331SS*.THydrogen-bonded Turntrans-68.4-7175.600000115.2Q412 I414Q412-G416 PolarHBondContact O-N 2.95Å; I414-G416 VanDerWaalsContact C-N 3.26Å; I414-G416 PolarHBondContact O-N 2.99Å
417M87.5Confident82.4Confident43 Ų4351 Ų5121%0.21230%0.298CS..SBendtrans-74.5146.7176.5-64.1-61.1-69.200111.7I414 Q415 G419 N420 C477I414-M417 WeakPolarHBondContact O-CB 3.23Å; I414-M417 WeakPolarHBondContact O-CG 3.25Å; I414-M417 PolarHBondContact O-N 3.42Å; Q415-M417 PolarHBondContact O-N 3.09Å; M417-G419 PolarHBondContact O-N 3.5Å; M417-G419 VanDerWaalsContact O-N 3.15Å; M417-N420 HydrophobicContact CB-CB 4.26Å; M417-N420 WeakPolarHBondContact CB-ND2 3.37Å; M417-N420 WeakPolarHBondContact O-CB 3.41Å; M417-N420 PolarHBondContact O-N 3.27Å; M417-C477 WeakPolarHBondContact CE-O 3.34Å
418P87.9Confident85.2Confident85 Ų8551.4 Ų51.455%0.55228%0.284SS*.THydrogen-bonded Turntrans-53.7121.8-179.8-27.535.5000113.2N420 S482P418-N420 VanDerWaalsContact C-N 3.34Å; P418-S482 WeakPolarHBondContact O-CB 3.36Å; P418-S482 PolarHBondContact O-N 2.82Å
419G88.4Confident87.1Confident39 Ų3947.8 Ų47.840%0.40228%0.279SS..THydrogen-bonded Turntrans84.5-6.2179.400000115.6M417 E421 Q422 N481M417-G419 PolarHBondContact O-N 3.5Å; M417-G419 VanDerWaalsContact O-N 3.15Å; G419-E421 PolarHBondContact O-N 3.14Å; G419-Q422 PolarHBondContact O-N 3.32Å; G419-Q422 VanDerWaalsContact O-O 3.1Å; G419-N481 VanDerWaalsContact O-CB 3.27Å; G419-N481 WeakPolarHBondContact O-CB 3.45Å; G419-N481 PolarHBondContact O-ND2 3.43Å
420N93.6Very high88.1Confident0 Ų050 Ų500%029%0.29CS..THydrogen-bonded Turntrans-76.8-6.9-179.8-79.17.4000113.6I414 M417 P418 Q422 P431 L441 N481I414-N420 WeakPolarHBondContact O-CB 3.48Å; I414-N420 PolarHBondContact O-ND2 3.03Å; M417-N420 HydrophobicContact CB-CB 4.26Å; M417-N420 WeakPolarHBondContact CB-ND2 3.37Å; M417-N420 WeakPolarHBondContact O-CB 3.41Å; M417-N420 PolarHBondContact O-N 3.27Å; P418-N420 VanDerWaalsContact C-N 3.34Å; N420-Q422 PolarHBondContact O-N 3.23Å; N420-P431 WeakPolarHBondContact O-CG 3.42Å; N420-L441 HydrophobicContact CB-CD1 3.71Å; N420-L441 HydrophobicContact CB-CG 4.16Å; N420-N481 WeakPolarHBondContact OD1-CB 3.25Å; N420-N481 PolarHBondContact OD1-N 2.65Å; N420-N481 PolarHBondContact OD1-OD1 2.98Å
421E92.2Very high89.3Confident144 Ų14446.8 Ų46.867%0.67327%0.273SS*.THydrogen-bonded Turntrans-63.7-22.3172-60.7178.3178.800113G419 D430 P431G419-E421 PolarHBondContact O-N 3.14Å; E421-D430 PolarHBondContact O-N 2.96Å; E421-P431 WeakPolarHBondContact O-CD 3.27Å
422Q94.4Very high90.2Very high105 Ų10548.6 Ų48.649%0.49128%0.278SS..BIsolated β-bridgetrans-131.1150.1-177.2-62.917619.800110.6G419 N420 C424 Q428 N481G419-Q422 PolarHBondContact O-N 3.32Å; G419-Q422 VanDerWaalsContact O-O 3.1Å; N420-Q422 PolarHBondContact O-N 3.23Å; Q422-C424 PolarHBondContact O-N 3.03Å; Q422-Q428 CarbonylContact C-O 3.5Å; Q422-Q428 WeakPolarHBondContact CA-O 3.42Å; Q422-N481 PolarHBondContact O-ND2 3.39Å
423C95.9Very high91Very high3 Ų346.1 Ų46.12%0.0226%0.264CS..  trans-54.8131.2174178.10000110.5D425 C426 G427 Q428 C443C423-D425 PolarHBondContact O-N 3.04Å; C423-D425 VanDerWaalsContact O-N 3.1Å; C423-C426 VanDerWaalsContact SG-SG 3.62Å; C423-G427 WeakPolarHBondContact O-CA 3.27Å; C423-G427 PolarHBondContact O-N 3.46Å; C423-Q428 HydrophobicContact CB-CB 4.08Å; C423-Q428 WeakPolarHBondContact CB-O 3.31Å; C423-Q428 PolarHBondContact N-O 3.43Å; C423-C443 HydrophobicContact CB-CB 4Å; C423-C443 PolarHBondContact SG-N 3.06Å
424C95.1Very high91.6Very high1 Ų142 Ų421%0.00725%0.249CC..THydrogen-bonded Turntrans-53.1-36.2-175.6-168.70000112.9Q422 V440 L441 L442 N481 N485 K499 K516 Y517Q422-C424 PolarHBondContact O-N 3.03Å; C424-V440 HydrophobicContact CB-CB 3.94Å; C424-V440 HydrophobicContact CB-CG1 4.34Å; C424-V440 HydrophobicContact CB-CG2 4.47Å; C424-V440 VanDerWaalsContact SG-CG1 3.57Å; C424-L441 WeakPolarHBondContact CB-O 3.39Å; C424-L441 PolarHBondContact N-O 2.88Å; C424-L442 HydrophobicContact CB-CD2 3.98Å; C424-N481 HydrophobicContact CB-CB 4.44Å; C424-N481 PolarHBondContact N-ND2 3.17Å; C424-N485 PolarHBondContact O-ND2 3.32Å; C424-N485 PolarHBondContact O-OD1 3.48Å; C424-N485 PolarHBondContact SG-OD1 2.98Å; C424-K499 WeakPolarHBondContact O-CE 3.29Å; C424-K499 PolarHBondContact O-NZ 3.26Å; C424-K516 PolarHBondContact O-NZ 3.26Å; C424-K516 PolarHBondContact SG-NZ 3.31Å; C424-K516 VanDerWaalsContact SG-NZ 3.39Å; C424-Y517 PolarHBondContact SG-OH 3Å; C424-Y517 VanDerWaalsContact SG-OH 3.33Å
425D95.6Very high92.1Very high1 Ų142 Ų421%0.00525%0.249CC..THydrogen-bonded Turntrans-104.5-39.4-169.1-51.7-50.8000114.7C423 L442 H450 K499 I513 K516 Y517C423-D425 PolarHBondContact O-N 3.04Å; C423-D425 VanDerWaalsContact O-N 3.1Å; D425-L442 WeakPolarHBondContact OD2-CD2 3.5Å; D425-H450 IonicContact OD2-CD2 2.78Å; D425-H450 IonicContact OD2-NE2 2.83Å; D425-H450 PolarHBondContact OD2-NE2 3.08Å; D425-K499 WeakPolarHBondContact O-CE 3.31Å; D425-K499 WeakPolarHBondContact O-CG 3.41Å; D425-I513 HydrophobicContact CB-CD1 4.08Å; D425-I513 HydrophobicContact CB-CG1 3.78Å; D425-K516 IonicContact OD1-NZ 3Å; D425-K516 PolarHBondContact OD1-NZ 3Å; D425-Y517 VanDerWaalsContact OD1-CE2 3.31Å; D425-Y517 WeakPolarHBondContact OD1-CE2 3.47Å; D425-Y517 PolarHBondContact OD1-OH 3.48Å; D425-Y517 VanDerWaalsContact OD1-OH 3.09Å
426C94.1Very high92.6Very high3 Ų340.4 Ų40.42%0.0224%0.241CC..THydrogen-bonded Turntrans-111.8-3.9-176.9720000114.5C423 Q428 C443 P500 L501 P502 K509C423-C426 VanDerWaalsContact SG-SG 3.62Å; C426-Q428 PolarHBondContact O-N 3Å; C426-Q428 VanDerWaalsContact SG-CB 3.58Å; C426-C443 VanDerWaalsContact SG-SG 3.65Å; C426-P500 WeakPolarHBondContact CA-O 3.45Å; C426-L501 CarbonylContact O-C 3.44Å; C426-P502 WeakPolarHBondContact O-CD 3.38Å; C426-P502 WeakPolarHBondContact O-CG 3.45Å; C426-K509 HydrophobicContact CB-CD 4.37Å; C426-K509 HydrophobicContact CB-CG 4.36Å
427G92.9Very high93.2Very high23 Ų2337.5 Ų37.524%0.23721%0.21CC..  trans72.68.7-179.700000115.3C423 A429C423-G427 WeakPolarHBondContact O-CA 3.27Å; C423-G427 PolarHBondContact O-N 3.46Å; G427-A429 PolarHBondContact O-N 3.03Å
428Q94.4Very high93.5Very high66 Ų6636.2 Ų36.231%0.30820%0.203SC..  trans-60.7127.8176.1-179.3175.4-1300110.5Q422 C423 C426 C443 P502Q422-Q428 CarbonylContact C-O 3.5Å; Q422-Q428 WeakPolarHBondContact CA-O 3.42Å; C423-Q428 HydrophobicContact CB-CB 4.08Å; C423-Q428 WeakPolarHBondContact CB-O 3.31Å; C423-Q428 PolarHBondContact N-O 3.43Å; C426-Q428 PolarHBondContact O-N 3Å; C426-Q428 VanDerWaalsContact SG-CB 3.58Å; Q428-C443 HydrophobicContact CB-CB 3.99Å; Q428-C443 HydrophobicContact CG-CB 4.07Å; Q428-C443 PolarHBondContact OE1-SG 2.99Å; Q428-P502 HydrophobicContact CB-CB 4.12Å; Q428-P502 HydrophobicContact CB-CG 4.26Å
429A92.6Very high93.9Very high68 Ų6832.1 Ų32.156%0.56218%0.177SC*.BIsolated β-bridgetrans-61.2153.8179.300000112.2G427G427-A429 PolarHBondContact O-N 3.03Å
430D88.4Confident94.2Very high75 Ų7530.3 Ų30.340%0.40116%0.158SC..SBendtrans5958.8171.6-165.836.4000115Q415 E421 R432Q415-D430 PolarHBondContact NE2-OD1 2.96Å; E421-D430 PolarHBondContact O-N 2.96Å; D430-R432 PolarHBondContact O-N 3.11Å; D430-R432 IonicContact OD1-CZ 2.67Å; D430-R432 IonicContact OD1-NE 3.08Å; D430-R432 PolarHBondContact OD1-NE 3.16Å; D430-R432 IonicContact OD1-NH1 3.27Å; D430-R432 PolarHBondContact OD1-NH1 3.49Å; D430-R432 IonicContact OD1-NH2 3.43Å; D430-R432 PolarHBondContact OD1-NH2 3.29Å; D430-R432 IonicContact OD2-CZ 3.8Å; D430-R432 IonicContact OD2-NE 3.84Å; D430-R432 PolarHBondContact OD2-NE 2.65Å; D430-R432 VanDerWaalsContact OD2-NE 3.12Å; D430-R432 IonicContact OD2-NH1 3.89Å; D430-R432 IonicContact OD2-NH2 3.99Å; D430-R432 PolarHBondContact OD2-NH2 3.1Å
431P93.4Very high94.4Very high0 Ų030.3 Ų30.30%016%0.158CC..  trans-66.2133.417829.5-35.4000111.5Q415 N420 E421 L441 L442Q415-P431 PolarHBondContact NE2-O 3.02Å; N420-P431 WeakPolarHBondContact O-CG 3.42Å; E421-P431 WeakPolarHBondContact O-CD 3.27Å; P431-L441 HydrophobicContact CB-CB 3.86Å; P431-L441 HydrophobicContact CG-CB 3.62Å; P431-L441 HydrophobicContact CG-CD1 4Å; P431-L442 VanDerWaalsContact CB-C 3.43Å; P431-L442 VanDerWaalsContact CB-O 3.27Å; P431-L442 WeakPolarHBondContact CB-O 3.28Å
432R93.1Very high94.5Very high72 Ų7223.4 Ų23.427%0.27213%0.126SC..  trans-112.65-178.7-57.4-60.1-169.2-161.54.7114.3D430 L442 L463D430-R432 PolarHBondContact O-N 3.11Å; D430-R432 IonicContact OD1-CZ 2.67Å; D430-R432 IonicContact OD1-NE 3.08Å; D430-R432 PolarHBondContact OD1-NE 3.16Å; D430-R432 IonicContact OD1-NH1 3.27Å; D430-R432 PolarHBondContact OD1-NH1 3.49Å; D430-R432 IonicContact OD1-NH2 3.43Å; D430-R432 PolarHBondContact OD1-NH2 3.29Å; D430-R432 IonicContact OD2-CZ 3.8Å; D430-R432 IonicContact OD2-NE 3.84Å; D430-R432 PolarHBondContact OD2-NE 2.65Å; D430-R432 VanDerWaalsContact OD2-NE 3.12Å; D430-R432 IonicContact OD2-NH1 3.89Å; D430-R432 IonicContact OD2-NH2 3.99Å; D430-R432 PolarHBondContact OD2-NH2 3.1Å; R432-L442 PolarHBondContact N-O 2.88Å; R432-L463 WeakPolarHBondContact O-CB 3.29Å; R432-L463 PolarHBondContact O-N 2.86Å
433W95.2Very high94.6Very high51 Ų5118.6 Ų18.619%0.19310%0.103CC..EExtended strand (participates in β ladder)trans-124.1157176.3-66.1-93.5000110L441 L442 I444 V460 R461W433-L441 CarbonylContact O-C 3.57Å; W433-L441 VanDerWaalsContact O-CA 3.32Å; W433-L441 WeakPolarHBondContact O-CA 3.36Å; W433-L442 HydrophobicContact CB-CB 4.39Å; W433-L442 PolarHBondContact N-O 3.41Å; W433-L442 VanDerWaalsContact N-O 3.08Å; W433-L442 PolarHBondContact O-N 2.5Å; W433-I444 VanDerWaalsContact CE3-CA 3.45Å; W433-I444 HydrophobicContact CE3-CB 4.01Å; W433-I444 VanDerWaalsContact CE3-N 3.26Å; W433-I444 HydrophobicContact CH2-CB 3.35Å; W433-I444 HydrophobicContact CH2-CD1 3.69Å; W433-I444 HydrophobicContact CH2-CG1 3.52Å; W433-I444 HydrophobicContact CZ2-CB 3.98Å; W433-I444 HydrophobicContact CZ2-CD1 3.87Å; W433-I444 HydrophobicContact CZ2-CG1 3.66Å; W433-I444 HydrophobicContact CZ3-CB 3.36Å; W433-I444 HydrophobicContact CZ3-CG1 4.03Å; W433-V460 HydrophobicContact CB-CG1 4.35Å; W433-R461 CarbonylContact C-O 2.89Å; W433-R461 WeakPolarHBondContact CA-O 3.25Å
434A96Very high94.5Very high0 Ų023.5 Ų23.50%013%0.128CC..EExtended strand (participates in β ladder)trans-133.7145.1179.600000110.7V440 L441 V460 R461 L463 W468 M476A434-V440 CarbonylContact C-O 3.56Å; A434-V440 WeakPolarHBondContact CA-O 3.45Å; A434-L441 HydrophobicContact CB-CD2 3.64Å; A434-V460 CarbonylContact O-C 3.55Å; A434-V460 VanDerWaalsContact O-CA 3.29Å; A434-V460 WeakPolarHBondContact O-CA 3.35Å; A434-R461 PolarHBondContact N-O 3.08Å; A434-R461 PolarHBondContact O-N 3.26Å; A434-L463 HydrophobicContact CB-CD2 4.13Å; A434-W468 HydrophobicContact CB-CH2 3.68Å; A434-W468 HydrophobicContact CB-CZ2 4Å; A434-M476 HydrophobicContact CB-CE 3.84Å
435S96.8Very high94.5Very high0 Ų026.1 Ų26.10%014%0.141CC..EExtended strand (participates in β ladder)trans-96.9111.3161.1-179.10000108.9N437 L438 G439 V440 S458 K459S435-N437 PolarHBondContact OG-OD1 3.29Å; S435-N437 VanDerWaalsContact OG-OD1 3.04Å; S435-L438 PolarHBondContact O-N 2.93Å; S435-G439 PolarHBondContact O-N 3.22Å; S435-V440 PolarHBondContact N-O 2.92Å; S435-V440 PolarHBondContact O-N 3.45Å; S435-S458 WeakPolarHBondContact CB-OG 3.39Å; S435-S458 PolarHBondContact OG-OG 2.89Å; S435-K459 CarbonylContact C-O 3.53Å; S435-K459 WeakPolarHBondContact CA-O 3.21Å
436I94.8Very high94.5Very high3 Ų326 Ų262%0.01514%0.14CC..THydrogen-bonded Turntrans-79.9-21-16768.8180000113.6K459 R461 W468 L472I436-K459 HydrophobicContact CD1-CB 4.18Å; I436-K459 HydrophobicContact CG1-CB 3.66Å; I436-K459 WeakPolarHBondContact CG1-O 3.25Å; I436-K459 PolarHBondContact N-O 3.35Å; I436-R461 HydrophobicContact CD1-CG 4.02Å; I436-R461 HydrophobicContact CG2-CB 3.92Å; I436-R461 HydrophobicContact CG2-CG 3.72Å; I436-W468 HydrophobicContact CG2-CH2 3.74Å; I436-W468 HydrophobicContact CG2-CZ3 4.09Å; I436-L472 HydrophobicContact CB-CD1 3.76Å; I436-L472 HydrophobicContact CB-CD2 4.31Å; I436-L472 HydrophobicContact CB-CG 4.47Å; I436-L472 HydrophobicContact CD1-CD1 4.4Å; I436-L472 HydrophobicContact CD1-CD2 4.08Å; I436-L472 HydrophobicContact CG1-CD1 4.43Å; I436-L472 HydrophobicContact CG2-CD1 4.32Å; I436-L472 HydrophobicContact CG2-CD2 4.1Å
437N94.9Very high94.6Very high6 Ų626.1 Ų26.13%0.03214%0.141CC..THydrogen-bonded Turntrans-86.2-29.1173.367.5-58.9000112.4S435 C457 S458 K459 F673 Q676 N677S435-N437 PolarHBondContact OG-OD1 3.29Å; S435-N437 VanDerWaalsContact OG-OD1 3.04Å; N437-C457 PolarHBondContact ND2-O 2.81Å; N437-S458 WeakPolarHBondContact OD1-CA 3.35Å; N437-K459 HydrophobicContact CB-CB 4.45Å; N437-K459 HydrophobicContact CB-CD 4.23Å; N437-K459 HydrophobicContact CB-CG 4.37Å; N437-K459 WeakPolarHBondContact OD1-CB 2.81Å; N437-K459 PolarHBondContact OD1-N 3.16Å; N437-F673 WeakPolarHBondContact O-CE2 3.35Å; N437-Q676 HydrophobicContact CB-CB 4.01Å; N437-Q676 WeakPolarHBondContact CB-O 3.46Å; N437-N677 PolarHBondContact O-ND2 3.46Å; N437-N677 PolarHBondContact O-OD1 3.09Å
438L94.8Very high94.7Very high15 Ų1526.3 Ų26.38%0.07914%0.143CC..THydrogen-bonded Turntrans-89-24.2177.5-63.3175.2000113S435 V440 I484 Y517S435-L438 PolarHBondContact O-N 2.93Å; L438-V440 HydrophobicContact CB-CG1 4.5Å; L438-V440 HydrophobicContact CB-CG2 4.02Å; L438-I484 WeakPolarHBondContact O-CD1 3.33Å; L438-I484 WeakPolarHBondContact O-CG1 3.27Å; L438-Y517 HydrophobicContact CD1-CD1 3.81Å; L438-Y517 HydrophobicContact CD1-CE1 3.83Å; L438-Y517 HydrophobicContact CD1-CG 4.26Å; L438-Y517 HydrophobicContact CD2-CD1 4.33Å
439G94.3Very high94.8Very high0 Ų023.2 Ų23.20%013%0.128CC..THydrogen-bonded Turntrans77.631.7-177.300000114.1S435S435-G439 PolarHBondContact O-N 3.22Å
440V96.1Very high94.9Very high0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-120.5153.4-176.1-62.20000113.7C424 A434 S435 L438 L442 N481 I484C424-V440 HydrophobicContact CB-CB 3.94Å; C424-V440 HydrophobicContact CB-CG1 4.34Å; C424-V440 HydrophobicContact CB-CG2 4.47Å; C424-V440 VanDerWaalsContact SG-CG1 3.57Å; A434-V440 CarbonylContact C-O 3.56Å; A434-V440 WeakPolarHBondContact CA-O 3.45Å; S435-V440 PolarHBondContact N-O 2.92Å; S435-V440 PolarHBondContact O-N 3.45Å; L438-V440 HydrophobicContact CB-CG1 4.5Å; L438-V440 HydrophobicContact CB-CG2 4.02Å; V440-L442 HydrophobicContact CG2-CD2 4.1Å; V440-L442 HydrophobicContact CG2-CG 4.33Å; V440-N481 WeakPolarHBondContact CA-OD1 3.38Å; V440-N481 VanDerWaalsContact CB-OD1 3.24Å; V440-N481 WeakPolarHBondContact CB-OD1 3.49Å; V440-I484 HydrophobicContact CG1-CB 3.47Å; V440-I484 VanDerWaalsContact CG1-CB 3.47Å; V440-I484 HydrophobicContact CG1-CG1 3.62Å; V440-I484 HydrophobicContact CG1-CG2 3.38Å
441L96.6Very high95.2Very high0 Ų022.4 Ų22.40%011%0.105CC..EExtended strand (participates in β ladder)trans-102.3139.3171-61.8-162.2000113.1I414 Q415 N420 C424 P431 W433 A434 L463 M476 N481I414-L441 HydrophobicContact CG2-CD1 4.04Å; I414-L441 HydrophobicContact CG2-CD2 3.83Å; I414-L441 HydrophobicContact CG2-CG 4.16Å; Q415-L441 HydrophobicContact CG-CD1 4.19Å; N420-L441 HydrophobicContact CB-CD1 3.71Å; N420-L441 HydrophobicContact CB-CG 4.16Å; C424-L441 WeakPolarHBondContact CB-O 3.39Å; C424-L441 PolarHBondContact N-O 2.88Å; P431-L441 HydrophobicContact CB-CB 3.86Å; P431-L441 HydrophobicContact CG-CB 3.62Å; P431-L441 HydrophobicContact CG-CD1 4Å; W433-L441 CarbonylContact O-C 3.57Å; W433-L441 VanDerWaalsContact O-CA 3.32Å; W433-L441 WeakPolarHBondContact O-CA 3.36Å; A434-L441 HydrophobicContact CB-CD2 3.64Å; L441-L463 HydrophobicContact CD1-CD1 3.98Å; L441-L463 HydrophobicContact CD2-CD1 3.84Å; L441-L463 HydrophobicContact CD2-CD2 4.2Å; L441-L463 HydrophobicContact CD2-CG 4.44Å; L441-M476 HydrophobicContact CD2-CE 4Å; L441-N481 PolarHBondContact N-OD1 3.39Å; L441-N481 PolarHBondContact O-ND2 2.86Å; L441-N481 VanDerWaalsContact O-ND2 3.13Å
442L96.1Very high95.3Very high0 Ų025.4 Ų25.40%013%0.126CC..EExtended strand (participates in β ladder)trans-132.4146.4-169.4-54.5173.3000111C424 D425 P431 R432 W433 V440 C446 H450C424-L442 HydrophobicContact CB-CD2 3.98Å; D425-L442 WeakPolarHBondContact OD2-CD2 3.5Å; P431-L442 VanDerWaalsContact CB-C 3.43Å; P431-L442 VanDerWaalsContact CB-O 3.27Å; P431-L442 WeakPolarHBondContact CB-O 3.28Å; R432-L442 PolarHBondContact N-O 2.88Å; W433-L442 HydrophobicContact CB-CB 4.39Å; W433-L442 PolarHBondContact N-O 3.41Å; W433-L442 VanDerWaalsContact N-O 3.08Å; W433-L442 PolarHBondContact O-N 2.5Å; V440-L442 HydrophobicContact CG2-CD2 4.1Å; V440-L442 HydrophobicContact CG2-CG 4.33Å; L442-C446 HydrophobicContact CB-CB 4.44Å; L442-C446 HydrophobicContact CD2-CB 4.49Å; L442-H450 HydrophobicContact CD1-CB 3.98Å; L442-H450 VanDerWaalsContact CD1-CD2 3.47Å; L442-H450 WeakPolarHBondContact CD1-CD2 3.42Å
443C95.4Very high95.2Very high3 Ų322.7 Ų22.72%0.0212%0.117CC..  trans-76.2171.8166.573.90000111.2C423 C426 Q428 E445 C446 S447C423-C443 HydrophobicContact CB-CB 4Å; C423-C443 PolarHBondContact SG-N 3.06Å; C426-C443 VanDerWaalsContact SG-SG 3.65Å; Q428-C443 HydrophobicContact CB-CB 3.99Å; Q428-C443 HydrophobicContact CG-CB 4.07Å; Q428-C443 PolarHBondContact OE1-SG 2.99Å; C443-E445 VanDerWaalsContact C-N 3.28Å; C443-E445 PolarHBondContact O-N 2.86Å; C443-C446 PolarHBondContact O-N 2.93Å; C443-C446 VanDerWaalsContact SG-SG 3.69Å; C443-S447 WeakPolarHBondContact O-CB 3.04Å; C443-S447 PolarHBondContact O-N 2.88Å; C443-S447 PolarHBondContact O-OG 2.98Å
444I93.8Very high95Very high106 Ų10621.5 Ų21.554%0.54412%0.12SC..Hα-helixtrans-55.1-44.2-176.1-166.3166.4000112.3W433 S447 G448W433-I444 VanDerWaalsContact CE3-CA 3.45Å; W433-I444 HydrophobicContact CE3-CB 4.01Å; W433-I444 VanDerWaalsContact CE3-N 3.26Å; W433-I444 HydrophobicContact CH2-CB 3.35Å; W433-I444 HydrophobicContact CH2-CD1 3.69Å; W433-I444 HydrophobicContact CH2-CG1 3.52Å; W433-I444 HydrophobicContact CZ2-CB 3.98Å; W433-I444 HydrophobicContact CZ2-CD1 3.87Å; W433-I444 HydrophobicContact CZ2-CG1 3.66Å; W433-I444 HydrophobicContact CZ3-CB 3.36Å; W433-I444 HydrophobicContact CZ3-CG1 4.03Å; I444-S447 PolarHBondContact O-OG 3Å; I444-G448 PolarHBondContact O-N 3.47Å; I444-G448 VanDerWaalsContact O-N 3.08Å
445E94.8Very high94.7Very high56 Ų5626.6 Ų26.626%0.26215%0.151SC..Hα-helixtrans-72.4-48.6-174.8-168.7-178.6-175.600112C443 S447 G448 I449 R506 K509C443-E445 VanDerWaalsContact C-N 3.28Å; C443-E445 PolarHBondContact O-N 2.86Å; E445-S447 VanDerWaalsContact C-N 3.29Å; E445-S447 PolarHBondContact O-N 3.34Å; E445-G448 PolarHBondContact O-N 2.82Å; E445-G448 VanDerWaalsContact O-N 3.11Å; E445-I449 PolarHBondContact O-N 3.44Å; E445-I449 VanDerWaalsContact O-N 3.14Å; E445-R506 HydrophobicContact CG-CG 4.31Å; E445-R506 VanDerWaalsContact OE1-CA 3.31Å; E445-R506 WeakPolarHBondContact OE1-CA 3.23Å; E445-R506 WeakPolarHBondContact OE1-CB 3.37Å; E445-R506 WeakPolarHBondContact OE1-CG 3.39Å; E445-K509 IonicContact OE1-NZ 3.88Å; E445-K509 IonicContact OE2-NZ 3.74Å; E445-K509 PolarHBondContact OE2-NZ 3.13Å
446C95.9Very high94.1Very high0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-62.3-37.9175.3-67.40000111.2L442 C443 G448 I449 H450 I513L442-C446 HydrophobicContact CB-CB 4.44Å; L442-C446 HydrophobicContact CD2-CB 4.49Å; C443-C446 PolarHBondContact O-N 2.93Å; C443-C446 VanDerWaalsContact SG-SG 3.69Å; C446-G448 VanDerWaalsContact C-N 3.28Å; C446-G448 PolarHBondContact O-N 3.35Å; C446-I449 PolarHBondContact O-N 3.33Å; C446-I449 VanDerWaalsContact O-N 3.14Å; C446-H450 PolarHBondContact O-CD2 2.98Å; C446-H450 VanDerWaalsContact O-CD2 3.31Å; C446-H450 PolarHBondContact O-N 2.75Å; C446-I513 HydrophobicContact CB-CD1 3.97Å
447S96.3Very high93.9Very high4 Ų435.4 Ų35.43%0.02820%0.195CC..Hα-helixtrans-61.5-37.5174.585.20000112.1C443 I444 E445 I449 H450 R451C443-S447 WeakPolarHBondContact O-CB 3.04Å; C443-S447 PolarHBondContact O-N 2.88Å; C443-S447 PolarHBondContact O-OG 2.98Å; I444-S447 PolarHBondContact O-OG 3Å; E445-S447 VanDerWaalsContact C-N 3.29Å; E445-S447 PolarHBondContact O-N 3.34Å; S447-I449 VanDerWaalsContact C-N 3.34Å; S447-H450 PolarHBondContact O-N 3.34Å; S447-R451 WeakPolarHBondContact O-CG 3.39Å; S447-R451 PolarHBondContact O-N 3.09Å
448G94.9Very high93.9Very high28 Ų2835.2 Ų35.229%0.28919%0.194SC..Hα-helixtrans-65.1-35.5174.700000113I444 E445 C446 S452I444-G448 PolarHBondContact O-N 3.47Å; I444-G448 VanDerWaalsContact O-N 3.08Å; E445-G448 PolarHBondContact O-N 2.82Å; E445-G448 VanDerWaalsContact O-N 3.11Å; C446-G448 VanDerWaalsContact C-N 3.28Å; C446-G448 PolarHBondContact O-N 3.35Å; G448-S452 PolarHBondContact O-N 3.45Å
449I96.1Very high94Very high0 Ų036.8 Ų36.80%020%0.2CC..Hα-helixtrans-70.4-45173.5-63.4164.6000110.5E445 C446 S447 R451 S452 L453 R506 K509 E510 I513E445-I449 PolarHBondContact O-N 3.44Å; E445-I449 VanDerWaalsContact O-N 3.14Å; C446-I449 PolarHBondContact O-N 3.33Å; C446-I449 VanDerWaalsContact O-N 3.14Å; S447-I449 VanDerWaalsContact C-N 3.34Å; I449-R451 PolarHBondContact O-N 3.02Å; I449-S452 PolarHBondContact O-N 3.36Å; I449-S452 PolarHBondContact O-OG 2.87Å; I449-L453 PolarHBondContact O-N 2.99Å; I449-R506 HydrophobicContact CD1-CG 4.26Å; I449-K509 HydrophobicContact CD1-CB 3.74Å; I449-E510 HydrophobicContact CD1-CB 4.08Å; I449-E510 HydrophobicContact CG1-CB 4.32Å; I449-E510 HydrophobicContact CG2-CB 4.06Å; I449-E510 HydrophobicContact CG2-CG 4Å; I449-I513 HydrophobicContact CB-CD1 3.95Å; I449-I513 HydrophobicContact CD1-CD1 3.93Å; I449-I513 HydrophobicContact CG2-CB 4.04Å; I449-I513 HydrophobicContact CG2-CD1 3.82Å; I449-I513 HydrophobicContact CG2-CG2 3.92Å
450H96.2Very high94Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-58.3-34.3175.9-89.4-95.3000112.5D425 L442 C446 S447 S452 L453 S458 V460 Y517D425-H450 IonicContact OD2-CD2 2.78Å; D425-H450 IonicContact OD2-NE2 2.83Å; D425-H450 PolarHBondContact OD2-NE2 3.08Å; L442-H450 HydrophobicContact CD1-CB 3.98Å; L442-H450 VanDerWaalsContact CD1-CD2 3.47Å; L442-H450 WeakPolarHBondContact CD1-CD2 3.42Å; C446-H450 PolarHBondContact O-CD2 2.98Å; C446-H450 VanDerWaalsContact O-CD2 3.31Å; C446-H450 PolarHBondContact O-N 2.75Å; S447-H450 PolarHBondContact O-N 3.34Å; H450-S452 VanDerWaalsContact C-N 3.34Å; H450-L453 PolarHBondContact O-N 3.39Å; H450-S458 VanDerWaalsContact ND1-CB 3.3Å; H450-S458 WeakPolarHBondContact ND1-CB 3.25Å; H450-S458 PolarHBondContact ND1-OG 2.78Å; H450-V460 HydrophobicContact CB-CG2 3.57Å; H450-Y517 AromaticContact CE1-CD2 3.49Å; H450-Y517 VanDerWaalsContact CE1-CD2 3.49Å; H450-Y517 WeakPolarHBondContact CE1-CD2 3.41Å; H450-Y517 AromaticContact CE1-CE2 3.26Å; H450-Y517 WeakPolarHBondContact CE1-CE2 3.31Å; H450-Y517 AromaticContact CE1-CZ 3.91Å; H450-Y517 AromaticContact NE2-CD2 3.9Å; H450-Y517 AromaticContact NE2-CE2 3.43Å; H450-Y517 WeakPolarHBondContact NE2-CE2 3.25Å
451R94.6Very high93.9Very high127 Ų12742 Ų4248%0.47922%0.221SC..Hα-helixtrans-64.7-35.2173.1-71.5178-169.3-753.1112.8S447 I449 L453 G454 V460S447-R451 WeakPolarHBondContact O-CG 3.39Å; S447-R451 PolarHBondContact O-N 3.09Å; I449-R451 PolarHBondContact O-N 3.02Å; R451-L453 VanDerWaalsContact C-N 3.28Å; R451-L453 PolarHBondContact O-N 3.21Å; R451-G454 PolarHBondContact O-N 2.74Å; R451-V460 HydrophobicContact CG-CB 3.88Å; R451-V460 HydrophobicContact CG-CG1 4.34Å; R451-V460 HydrophobicContact CG-CG2 3.92Å; R451-V460 PolarHBondContact NH1-O 2.77Å
452S94.6Very high93.6Very high62 Ų6242.2 Ų42.243%0.43422%0.222SC..Hα-helixtrans-75.5-13.8179.467.30000114G448 I449 H450 G454G448-S452 PolarHBondContact O-N 3.45Å; I449-S452 PolarHBondContact O-N 3.36Å; I449-S452 PolarHBondContact O-OG 2.87Å; H450-S452 VanDerWaalsContact C-N 3.34Å; S452-G454 VanDerWaalsContact C-N 3.27Å
453L91.9Very high93.2Very high16 Ų1642.7 Ų42.78%0.08422%0.224CC..THydrogen-bonded Turntrans-73-20.4171.8-55.7-176.4000113I449 H450 R451 H456 C457 I513 R514 V518I449-L453 PolarHBondContact O-N 2.99Å; H450-L453 PolarHBondContact O-N 3.39Å; R451-L453 VanDerWaalsContact C-N 3.28Å; R451-L453 PolarHBondContact O-N 3.21Å; L453-H456 PolarHBondContact O-CE1 3.49Å; L453-H456 VanDerWaalsContact O-CE1 3.24Å; L453-C457 HydrophobicContact CB-CB 3.85Å; L453-C457 HydrophobicContact CD1-CB 4.41Å; L453-I513 HydrophobicContact CD1-CG2 3.95Å; L453-R514 HydrophobicContact CD2-CG 3.81Å; L453-V518 HydrophobicContact CD1-CG2 4.09Å; L453-V518 HydrophobicContact CD2-CG2 3.92Å; L453-V518 HydrophobicContact CG-CG2 4.48Å
454G90.1Very high92.5Very high25 Ų2546.1 Ų46.126%0.25825%0.245SC..  trans88.5159.5-17500000113.7R451 S452 H456 C457 S458R451-G454 PolarHBondContact O-N 2.74Å; S452-G454 VanDerWaalsContact C-N 3.27Å; G454-H456 PolarHBondContact O-N 3.48Å; G454-C457 PolarHBondContact O-N 3.02Å; G454-S458 PolarHBondContact O-N 3.42Å
455V89.9Confident91.9Very high108 Ų10847.6 Ų47.666%0.65525%0.254SS*.THydrogen-bonded Turntrans-68-16.7-172-62.50000114.5C457 K459V455-C457 VanDerWaalsContact C-N 3.3Å; V455-K459 WeakPolarHBondContact O-CE 3.49Å; V455-K459 WeakPolarHBondContact O-CG 3.5Å
456H84.6Confident91.4Very high158 Ų15848.1 Ų48.173%0.73126%0.258SS*.THydrogen-bonded Turntrans-76.5-20174.962.2-81.6000112.1L453 G454L453-H456 PolarHBondContact O-CE1 3.49Å; L453-H456 VanDerWaalsContact O-CE1 3.24Å; G454-H456 PolarHBondContact O-N 3.48Å
457C89.8Confident90.7Very high29 Ų2953.3 Ų53.320%0.19630%0.295CS..THydrogen-bonded Turntrans-101.9-48.4173.9-67.90000111.9N437 L453 G454 V455N437-C457 PolarHBondContact ND2-O 2.81Å; L453-C457 HydrophobicContact CB-CB 3.85Å; L453-C457 HydrophobicContact CD1-CB 4.41Å; G454-C457 PolarHBondContact O-N 3.02Å; V455-C457 VanDerWaalsContact C-N 3.3Å
458S95.6Very high90.3Very high3 Ų354.6 Ų54.62%0.02130%0.299CS..  trans-145130-176-171.80000112.8S435 N437 H450 G454S435-S458 WeakPolarHBondContact CB-OG 3.39Å; S435-S458 PolarHBondContact OG-OG 2.89Å; N437-S458 WeakPolarHBondContact OD1-CA 3.35Å; H450-S458 VanDerWaalsContact ND1-CB 3.3Å; H450-S458 WeakPolarHBondContact ND1-CB 3.25Å; H450-S458 PolarHBondContact ND1-OG 2.78Å; G454-S458 PolarHBondContact O-N 3.42Å
459K95.8Very high90Very high48 Ų4857.2 Ų57.221%0.20930%0.304CS..  trans-106.496.5178.7-65.7-177.2-178.5172.40109.4S435 I436 N437 V455 Q676S435-K459 CarbonylContact C-O 3.53Å; S435-K459 WeakPolarHBondContact CA-O 3.21Å; I436-K459 HydrophobicContact CD1-CB 4.18Å; I436-K459 HydrophobicContact CG1-CB 3.66Å; I436-K459 WeakPolarHBondContact CG1-O 3.25Å; I436-K459 PolarHBondContact N-O 3.35Å; N437-K459 HydrophobicContact CB-CB 4.45Å; N437-K459 HydrophobicContact CB-CD 4.23Å; N437-K459 HydrophobicContact CB-CG 4.37Å; N437-K459 WeakPolarHBondContact OD1-CB 2.81Å; N437-K459 PolarHBondContact OD1-N 3.16Å; V455-K459 WeakPolarHBondContact O-CE 3.49Å; V455-K459 WeakPolarHBondContact O-CG 3.5Å; K459-Q676 VanDerWaalsContact CE-O 3.27Å; K459-Q676 WeakPolarHBondContact CE-O 3.2Å; K459-Q676 PolarHBondContact NZ-O 3.41Å
460V95.6Very high89.6Confident5 Ų558.5 Ų58.53%0.0331%0.312CS..EExtended strand (participates in β ladder)trans-87.8131.9-173.5-175.60000112.3W433 A434 H450 R451W433-V460 HydrophobicContact CB-CG1 4.35Å; A434-V460 CarbonylContact O-C 3.55Å; A434-V460 VanDerWaalsContact O-CA 3.29Å; A434-V460 WeakPolarHBondContact O-CA 3.35Å; H450-V460 HydrophobicContact CB-CG2 3.57Å; R451-V460 HydrophobicContact CG-CB 3.88Å; R451-V460 HydrophobicContact CG-CG1 4.34Å; R451-V460 HydrophobicContact CG-CG2 3.92Å; R451-V460 PolarHBondContact NH1-O 2.77Å
461R93.7Very high89.2Confident105 Ų10558.6 Ų58.640%0.39631%0.312SS..EExtended strand (participates in β ladder)trans-128.1149.4171-67.8-67-179.7-88.92.8111W433 A434 I436 D466 W468W433-R461 CarbonylContact C-O 2.89Å; W433-R461 WeakPolarHBondContact CA-O 3.25Å; A434-R461 PolarHBondContact N-O 3.08Å; A434-R461 PolarHBondContact O-N 3.26Å; I436-R461 HydrophobicContact CD1-CG 4.02Å; I436-R461 HydrophobicContact CG2-CB 3.92Å; I436-R461 HydrophobicContact CG2-CG 3.72Å; R461-D466 VanDerWaalsContact CA-OD2 3.26Å; R461-D466 WeakPolarHBondContact CA-OD2 3.43Å; R461-D466 HydrophobicContact CB-CB 4.47Å; R461-D466 WeakPolarHBondContact CD-OD2 3.38Å; R461-W468 HydrophobicContact CB-CH2 4.48Å; R461-W468 HydrophobicContact CB-CZ2 3.94Å
462S90.9Very high89Confident3 Ų352.7 Ų52.72%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-81.6138169.6178.60000110.1T464 L465 D466 W468S462-T464 PolarHBondContact O-N 3.08Å; S462-T464 PolarHBondContact OG-N 2.7Å; S462-T464 PolarHBondContact OG-OG1 2.93Å; S462-L465 WeakPolarHBondContact OG-CB 3.34Å; S462-L465 WeakPolarHBondContact OG-CG 3.44Å; S462-L465 PolarHBondContact OG-N 3.43Å; S462-D466 PolarHBondContact N-OD2 3.12Å; S462-W468 PolarHBondContact O-NE1 3.25Å
463L86.9Confident88.9Confident10 Ų1050.2 Ų50.25%0.05227%0.272CS..THydrogen-bonded Turntrans-73.7-18.7174.2-67173.6000112.8L411 I414 R432 A434 L441 W468L411-L463 HydrophobicContact CD1-CB 3.86Å; L411-L463 HydrophobicContact CD1-CD1 3.74Å; L411-L463 HydrophobicContact CD1-CG 4.42Å; I414-L463 HydrophobicContact CD1-CD2 3.76Å; R432-L463 WeakPolarHBondContact O-CB 3.29Å; R432-L463 PolarHBondContact O-N 2.86Å; A434-L463 HydrophobicContact CB-CD2 4.13Å; L441-L463 HydrophobicContact CD1-CD1 3.98Å; L441-L463 HydrophobicContact CD2-CD1 3.84Å; L441-L463 HydrophobicContact CD2-CD2 4.2Å; L441-L463 HydrophobicContact CD2-CG 4.44Å; L463-W468 HydrophobicContact CD2-CH2 4.04Å; L463-W468 HydrophobicContact CD2-CZ2 3.55Å; L463-W468 HydrophobicContact CG-CZ2 4.49Å
464T80.8Confident88.7Confident75 Ų7552.8 Ų52.846%0.4628%0.283SS..THydrogen-bonded Turntrans-116.2-26.5-174.753.70000113.5S462S462-T464 PolarHBondContact O-N 3.08Å; S462-T464 PolarHBondContact OG-N 2.7Å; S462-T464 PolarHBondContact OG-OG1 2.93Å
465L81.1Confident88.9Confident138 Ų13851.6 Ų51.672%0.72327%0.27SS*.THydrogen-bonded Turntrans-103.2-22.9-174.3-55.4174.7000114.1S462S462-L465 WeakPolarHBondContact OG-CB 3.34Å; S462-L465 WeakPolarHBondContact OG-CG 3.44Å; S462-L465 PolarHBondContact OG-N 3.43Å
466D84.1Confident89Confident66 Ų6646.5 Ų46.535%0.35324%0.239SC..SBendtrans-99.3151-178.8-68.9-44.1000111.3R461 S462R461-D466 VanDerWaalsContact CA-OD2 3.26Å; R461-D466 WeakPolarHBondContact CA-OD2 3.43Å; R461-D466 HydrophobicContact CB-CB 4.47Å; R461-D466 WeakPolarHBondContact CD-OD2 3.38Å; S462-D466 PolarHBondContact N-OD2 3.12Å
467S81.7Confident89.3Confident110 Ų11040.3 Ų40.377%0.76921%0.214SC*.  trans-74.6136.4169.559.10000110.9
468W86.7Confident89.2Confident31 Ų3142.7 Ų42.712%0.11722%0.222CC..  trans-110.9123.9-179.6-76.276.8000111.5I410 I414 A434 I436 R461 S462 L463 L472 M476I410-W468 HydrophobicContact CD1-CB 4.29Å; I410-W468 HydrophobicContact CG2-CG 4.44Å; I414-W468 HydrophobicContact CD1-CH2 4.49Å; I414-W468 HydrophobicContact CD1-CZ3 4.33Å; A434-W468 HydrophobicContact CB-CH2 3.68Å; A434-W468 HydrophobicContact CB-CZ2 4Å; I436-W468 HydrophobicContact CG2-CH2 3.74Å; I436-W468 HydrophobicContact CG2-CZ3 4.09Å; R461-W468 HydrophobicContact CB-CH2 4.48Å; R461-W468 HydrophobicContact CB-CZ2 3.94Å; S462-W468 PolarHBondContact O-NE1 3.25Å; L463-W468 HydrophobicContact CD2-CH2 4.04Å; L463-W468 HydrophobicContact CD2-CZ2 3.55Å; L463-W468 HydrophobicContact CG-CZ2 4.49Å; W468-L472 HydrophobicContact CE3-CD2 3.89Å; W468-L472 HydrophobicContact CE3-CG 3.92Å; W468-L472 HydrophobicContact CZ3-CD2 3.94Å; W468-L472 HydrophobicContact CZ3-CG 3.83Å; W468-M476 HydrophobicContact CH2-CG 3.95Å; W468-M476 HydrophobicContact CZ3-CB 4.49Å; W468-M476 HydrophobicContact CZ3-CG 3.48Å; W468-M476 VanDerWaalsContact CZ3-CG 3.48Å
469E88.6Confident88.8Confident83 Ų8342.6 Ų42.639%0.38822%0.221SC..  trans-69.8144.7169.8-60.399.2168.100111.2E471 L472 L473E469-E471 VanDerWaalsContact C-N 3.26Å; E469-E471 PolarHBondContact O-N 3.04Å; E469-L472 HydrophobicContact CB-CB 4.33Å; E469-L472 PolarHBondContact O-N 3.12Å; E469-L472 VanDerWaalsContact O-N 3.15Å; E469-L473 PolarHBondContact O-N 3.43Å
470P87.8Confident88.5Confident26 Ų2640.4 Ų40.417%0.16921%0.212CC..Hα-helixtrans-54.8-37.1179.1-29.237.4000114.7K474 S776P470-K474 PolarHBondContact O-N 3.28Å; P470-K474 VanDerWaalsContact O-N 3.11Å; P470-S776 WeakPolarHBondContact CB-OG 3.47Å
471E88.9Confident88.4Confident3 Ų340.2 Ų40.21%0.01421%0.211CC..Hα-helixtrans-68.7-40.9179.4-63.177-169.700111.5E469 K474 L475 L668 E672 S772 S776E469-E471 VanDerWaalsContact C-N 3.26Å; E469-E471 PolarHBondContact O-N 3.04Å; E471-K474 WeakPolarHBondContact O-CB 3.48Å; E471-K474 PolarHBondContact O-N 3.28Å; E471-L475 PolarHBondContact O-N 3.17Å; E471-L668 HydrophobicContact CG-CD1 4.23Å; E471-L668 HydrophobicContact CG-CD2 3.56Å; E471-L668 HydrophobicContact CG-CG 3.82Å; E471-E672 HydrophobicContact CB-CB 4.48Å; E471-E672 HydrophobicContact CB-CG 4.29Å; E471-S772 VanDerWaalsContact CD-OG 3.3Å; E471-S772 WeakPolarHBondContact OE1-CA 3.34Å; E471-S772 WeakPolarHBondContact OE1-CB 3.43Å; E471-S772 PolarHBondContact OE1-OG 3.38Å; E471-S772 PolarHBondContact OE2-OG 3.45Å; E471-S776 WeakPolarHBondContact CG-OG 3.3Å; E471-S776 PolarHBondContact N-OG 3.09Å; E471-S776 PolarHBondContact OE1-OG 3.37Å
472L90.8Very high88.4Confident3 Ų338.3 Ų38.32%0.01621%0.214CC..Hα-helixtrans-69.5-38.8178.2-175.263.3000111.6I436 W468 E469 K474 L475 M476 E672 Q676I436-L472 HydrophobicContact CB-CD1 3.76Å; I436-L472 HydrophobicContact CB-CD2 4.31Å; I436-L472 HydrophobicContact CB-CG 4.47Å; I436-L472 HydrophobicContact CD1-CD1 4.4Å; I436-L472 HydrophobicContact CD1-CD2 4.08Å; I436-L472 HydrophobicContact CG1-CD1 4.43Å; I436-L472 HydrophobicContact CG2-CD1 4.32Å; I436-L472 HydrophobicContact CG2-CD2 4.1Å; W468-L472 HydrophobicContact CE3-CD2 3.89Å; W468-L472 HydrophobicContact CE3-CG 3.92Å; W468-L472 HydrophobicContact CZ3-CD2 3.94Å; W468-L472 HydrophobicContact CZ3-CG 3.83Å; E469-L472 HydrophobicContact CB-CB 4.33Å; E469-L472 PolarHBondContact O-N 3.12Å; E469-L472 VanDerWaalsContact O-N 3.15Å; L472-K474 VanDerWaalsContact C-N 3.29Å; L472-K474 PolarHBondContact O-N 3.24Å; L472-L475 HydrophobicContact CD1-CD2 4.13Å; L472-L475 WeakPolarHBondContact O-CB 3.34Å; L472-L475 PolarHBondContact O-N 2.72Å; L472-M476 WeakPolarHBondContact O-CG 3.15Å; L472-M476 PolarHBondContact O-N 3.07Å; L472-E672 HydrophobicContact CD1-CG 4.49Å; L472-E672 WeakPolarHBondContact CD1-OE1 3.46Å; L472-Q676 HydrophobicContact CD1-CG 4.13Å
473L90.6Very high88.4Confident10 Ų1040.5 Ų40.55%0.05223%0.227CC..Hα-helixtrans-58.6-44.6171.1176.258.7000111.2I410 I414 E469 L475 M476 C477I410-L473 HydrophobicContact CB-CD1 4.47Å; I410-L473 HydrophobicContact CG1-CD2 4.04Å; I410-L473 HydrophobicContact CG2-CD1 3.78Å; I414-L473 HydrophobicContact CD1-CD1 3.5Å; I414-L473 HydrophobicContact CG1-CD1 3.55Å; E469-L473 PolarHBondContact O-N 3.43Å; L473-L475 VanDerWaalsContact C-N 3.33Å; L473-L475 PolarHBondContact O-N 3.39Å; L473-M476 PolarHBondContact O-N 3.5Å; L473-C477 PolarHBondContact O-N 3.49Å; L473-C477 PolarHBondContact O-SG 3Å; L473-C477 VanDerWaalsContact O-SG 3.41Å
474K89.7Confident88.7Confident70 Ų7040 Ų4030%0.30422%0.224SC..Hα-helixtrans-64.4-39179.4-164.9174.1177.3172.30111.8P470 E471 L472 C477 E478 V669P470-K474 PolarHBondContact O-N 3.28Å; P470-K474 VanDerWaalsContact O-N 3.11Å; E471-K474 WeakPolarHBondContact O-CB 3.48Å; E471-K474 PolarHBondContact O-N 3.28Å; L472-K474 VanDerWaalsContact C-N 3.29Å; L472-K474 PolarHBondContact O-N 3.24Å; K474-C477 CarbonylContact O-C 3.57Å; K474-C477 PolarHBondContact O-N 3.48Å; K474-C477 VanDerWaalsContact O-N 3.13Å; K474-E478 PolarHBondContact O-N 2.94Å; K474-V669 HydrophobicContact CB-CG2 4.05Å; K474-V669 HydrophobicContact CD-CG2 3.53Å; K474-V669 HydrophobicContact CG-CG2 3.63Å
475L92.4Very high89.3Confident0 Ų037.9 Ų37.90%021%0.21CC..Hα-helixtrans-56-50170.9173.557.8000112.1E471 L472 L473 C477 E478 L479 L633 V669 E672 F673 Q676E471-L475 PolarHBondContact O-N 3.17Å; L472-L475 HydrophobicContact CD1-CD2 4.13Å; L472-L475 WeakPolarHBondContact O-CB 3.34Å; L472-L475 PolarHBondContact O-N 2.72Å; L473-L475 VanDerWaalsContact C-N 3.33Å; L473-L475 PolarHBondContact O-N 3.39Å; L475-C477 PolarHBondContact O-N 2.97Å; L475-E478 PolarHBondContact O-N 2.68Å; L475-L479 HydrophobicContact CD1-CD1 3.79Å; L475-L479 HydrophobicContact CD1-CG 4.35Å; L475-L479 PolarHBondContact O-N 2.95Å; L475-L479 VanDerWaalsContact O-N 3.1Å; L475-L633 HydrophobicContact CD1-CD1 3.75Å; L475-L633 HydrophobicContact CD1-CD2 4.37Å; L475-V669 VanDerWaalsContact CA-CG1 3.42Å; L475-V669 HydrophobicContact CB-CG1 3.79Å; L475-V669 HydrophobicContact CD1-CG1 3.87Å; L475-V669 HydrophobicContact CG-CG1 4.48Å; L475-E672 HydrophobicContact CB-CG 4.49Å; L475-E672 HydrophobicContact CD2-CG 4.12Å; L475-F673 HydrophobicContact CD1-CB 3.75Å; L475-F673 HydrophobicContact CD1-CD2 3.81Å; L475-F673 HydrophobicContact CD1-CG 4.17Å; L475-F673 HydrophobicContact CD2-CB 4.15Å; L475-F673 HydrophobicContact CD2-CD2 4.23Å; L475-Q676 HydrophobicContact CD2-CG 4.39Å
476M92.9Very high89.8Confident0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-67.4-16.7178.2-63.5-56.6-60.400113.9I414 A434 L441 W468 L472 L473I414-M476 HydrophobicContact CD1-CB 3.81Å; I414-M476 HydrophobicContact CD1-CG 4.33Å; I414-M476 HydrophobicContact CG1-CB 3.93Å; I414-M476 HydrophobicContact CG2-CB 4.01Å; I414-M476 HydrophobicContact CG2-CE 4.5Å; A434-M476 HydrophobicContact CB-CE 3.84Å; L441-M476 HydrophobicContact CD2-CE 4Å; W468-M476 HydrophobicContact CH2-CG 3.95Å; W468-M476 HydrophobicContact CZ3-CB 4.49Å; W468-M476 HydrophobicContact CZ3-CG 3.48Å; W468-M476 VanDerWaalsContact CZ3-CG 3.48Å; L472-M476 WeakPolarHBondContact O-CG 3.15Å; L472-M476 PolarHBondContact O-N 3.07Å; L473-M476 PolarHBondContact O-N 3.5Å
477C90.3Very high90.1Very high29 Ų2934.1 Ų34.120%0.19619%0.187CC..THydrogen-bonded Turntrans-93.1-1.1173.2-70.50000113.4M417 L473 K474 L475M417-C477 WeakPolarHBondContact CE-O 3.34Å; L473-C477 PolarHBondContact O-N 3.49Å; L473-C477 PolarHBondContact O-SG 3Å; L473-C477 VanDerWaalsContact O-SG 3.41Å; K474-C477 CarbonylContact O-C 3.57Å; K474-C477 PolarHBondContact O-N 3.48Å; K474-C477 VanDerWaalsContact O-N 3.13Å; L475-C477 PolarHBondContact O-N 2.97Å
478E88.6Confident90.6Very high79 Ų7929.8 Ų29.837%0.36915%0.154SC..THydrogen-bonded Turntrans-108.7-25.5173.1-71.1-176.3-158.600111.6K474 L475 L633K474-E478 PolarHBondContact O-N 2.94Å; L475-E478 PolarHBondContact O-N 2.68Å; E478-L633 HydrophobicContact CB-CD1 3.6Å; E478-L633 HydrophobicContact CG-CD1 4.45Å; E478-L633 VanDerWaalsContact OE2-CD1 3.24Å; E478-L633 WeakPolarHBondContact OE2-CD1 3.12Å
479L86.1Confident90.8Very high0 Ų029.3 Ų29.30%015%0.153CC..  trans-101.9156.3170.8-66.5174.8000111.1L475 I484 L633 F673L475-L479 HydrophobicContact CD1-CD1 3.79Å; L475-L479 HydrophobicContact CD1-CG 4.35Å; L475-L479 PolarHBondContact O-N 2.95Å; L475-L479 VanDerWaalsContact O-N 3.1Å; L479-I484 HydrophobicContact CD2-CD1 4.43Å; L479-L633 HydrophobicContact CD2-CB 3.91Å; L479-L633 HydrophobicContact CG-CB 4.3Å; L479-L633 HydrophobicContact CG-CD1 4.37Å; L479-F673 HydrophobicContact CD1-CD2 3.81Å; L479-F673 HydrophobicContact CD1-CE2 3.64Å
480G90.1Very high90.4Very high2 Ų226.3 Ų26.32%0.02115%0.145CC..  trans-159.4160.9177.900000112.1S482 V483 I484G480-S482 PolarHBondContact O-N 3.49Å; G480-S482 VanDerWaalsContact O-N 3.14Å; G480-V483 PolarHBondContact O-N 3.3Å; G480-I484 PolarHBondContact O-N 2.98Å
481N94.5Very high90Very high1 Ų125.5 Ų25.51%0.00514%0.139CC..Hα-helixtrans-55.2-34.8-177.3-77.1-5.4000112.7G419 N420 Q422 C424 V440 L441 N485G419-N481 VanDerWaalsContact O-CB 3.27Å; G419-N481 WeakPolarHBondContact O-CB 3.45Å; G419-N481 PolarHBondContact O-ND2 3.43Å; N420-N481 WeakPolarHBondContact OD1-CB 3.25Å; N420-N481 PolarHBondContact OD1-N 2.65Å; N420-N481 PolarHBondContact OD1-OD1 2.98Å; Q422-N481 PolarHBondContact O-ND2 3.39Å; C424-N481 HydrophobicContact CB-CB 4.44Å; C424-N481 PolarHBondContact N-ND2 3.17Å; V440-N481 WeakPolarHBondContact CA-OD1 3.38Å; V440-N481 VanDerWaalsContact CB-OD1 3.24Å; V440-N481 WeakPolarHBondContact CB-OD1 3.49Å; L441-N481 PolarHBondContact N-OD1 3.39Å; L441-N481 PolarHBondContact O-ND2 2.86Å; L441-N481 VanDerWaalsContact O-ND2 3.13Å; N481-N485 WeakPolarHBondContact O-CB 3.47Å; N481-N485 PolarHBondContact O-N 3.19Å; N481-N485 PolarHBondContact O-ND2 3.2Å
482S92.3Very high89.6Confident65 Ų6527.3 Ų27.346%0.45515%0.146SC..Hα-helixtrans-63.6-45.3176179.60000112.2P418 G480 H486P418-S482 WeakPolarHBondContact O-CB 3.36Å; P418-S482 PolarHBondContact O-N 2.82Å; G480-S482 PolarHBondContact O-N 3.49Å; G480-S482 VanDerWaalsContact O-N 3.14Å; S482-H486 WeakPolarHBondContact O-CB 3.49Å; S482-H486 PolarHBondContact O-N 3.47Å
483V92Very high88.9Confident49 Ų4934.1 Ų34.130%0.29718%0.178SC..Hα-helixtrans-64.8-47.5178.3175.50000110.2G480 N485 H486 I487 P634G480-V483 PolarHBondContact O-N 3.3Å; V483-N485 PolarHBondContact O-N 3.37Å; V483-H486 WeakPolarHBondContact O-CB 3.44Å; V483-H486 PolarHBondContact O-N 3.35Å; V483-I487 HydrophobicContact CG1-CD1 4.24Å; V483-I487 WeakPolarHBondContact O-CG1 3.46Å; V483-I487 PolarHBondContact O-N 2.8Å; V483-P634 HydrophobicContact CG1-CB 3.83Å; V483-P634 HydrophobicContact CG1-CG 4.09Å
484I93.9Very high88.1Confident1 Ų140.6 Ų40.61%0.00521%0.208CC..Hα-helixtrans-69.5-36.9-177.3-57.9-59.6000111.6L438 V440 L479 G480 H486 I487 Y488 Y517 A637L438-I484 WeakPolarHBondContact O-CD1 3.33Å; L438-I484 WeakPolarHBondContact O-CG1 3.27Å; V440-I484 HydrophobicContact CG1-CB 3.47Å; V440-I484 VanDerWaalsContact CG1-CB 3.47Å; V440-I484 HydrophobicContact CG1-CG1 3.62Å; V440-I484 HydrophobicContact CG1-CG2 3.38Å; L479-I484 HydrophobicContact CD2-CD1 4.43Å; G480-I484 PolarHBondContact O-N 2.98Å; I484-H486 VanDerWaalsContact C-N 3.32Å; I484-I487 HydrophobicContact CD1-CD1 4.39Å; I484-I487 PolarHBondContact O-N 3.04Å; I484-Y488 HydrophobicContact CG2-CD2 3.66Å; I484-Y488 HydrophobicContact CG2-CE2 4.19Å; I484-Y488 WeakPolarHBondContact O-CB 3.37Å; I484-Y488 PolarHBondContact O-N 3.12Å; I484-Y517 HydrophobicContact CG2-CE1 4.38Å; I484-A637 HydrophobicContact CD1-CB 4.12Å
485N92.9Very high87.1Confident30 Ų3041.9 Ų41.916%0.1622%0.215CC..Hα-helixtrans-66.2-34.9172.2-73.9-18.6000111.8C424 N481 V483 I487 E489 K499 K516C424-N485 PolarHBondContact O-ND2 3.32Å; C424-N485 PolarHBondContact O-OD1 3.48Å; C424-N485 PolarHBondContact SG-OD1 2.98Å; N481-N485 WeakPolarHBondContact O-CB 3.47Å; N481-N485 PolarHBondContact O-N 3.19Å; N481-N485 PolarHBondContact O-ND2 3.2Å; V483-N485 PolarHBondContact O-N 3.37Å; N485-I487 PolarHBondContact O-N 3.38Å; N485-E489 HydrophobicContact CB-CG 4.21Å; N485-E489 VanDerWaalsContact O-CA 3.25Å; N485-E489 WeakPolarHBondContact O-CA 3.4Å; N485-E489 WeakPolarHBondContact O-CB 3.38Å; N485-E489 PolarHBondContact O-N 3.05Å; N485-E489 PolarHBondContact OD1-OE1 2.97Å; N485-K499 PolarHBondContact ND2-NZ 3.47Å; N485-K516 PolarHBondContact OD1-NZ 3.34Å
486H90.8Very high86.2Confident110 Ų11045 Ų4551%0.50925%0.247SC..Hα-helixtrans-59.9-38.3174-171.475.3000112.1S482 V483 I484S482-H486 WeakPolarHBondContact O-CB 3.49Å; S482-H486 PolarHBondContact O-N 3.47Å; V483-H486 WeakPolarHBondContact O-CB 3.44Å; V483-H486 PolarHBondContact O-N 3.35Å; I484-H486 VanDerWaalsContact C-N 3.32Å
487I90.9Very high85.5Confident15 Ų1548.8 Ų48.88%0.07727%0.267CS..Hα-helixtrans-73.8-57.8177.2-61.6166.3000110.5V483 I484 N485 L523 A637 E638 A641V483-I487 HydrophobicContact CG1-CD1 4.24Å; V483-I487 WeakPolarHBondContact O-CG1 3.46Å; V483-I487 PolarHBondContact O-N 2.8Å; I484-I487 HydrophobicContact CD1-CD1 4.39Å; I484-I487 PolarHBondContact O-N 3.04Å; N485-I487 PolarHBondContact O-N 3.38Å; I487-L523 HydrophobicContact CG2-CD2 4.26Å; I487-L523 WeakPolarHBondContact O-CD2 3.48Å; I487-A637 HydrophobicContact CD1-CB 3.92Å; I487-E638 HydrophobicContact CD1-CB 4.2Å; I487-E638 HydrophobicContact CG1-CB 4.28Å; I487-E638 HydrophobicContact CG2-CB 4.29Å; I487-E638 HydrophobicContact CG2-CG 4.44Å; I487-A641 HydrophobicContact CG2-CB 3.59Å
488Y91.6Very high85Confident18 Ų1856.5 Ų56.57%0.07130%0.297CS..Hα-helixtrans-88.2-3.6-169.1-78-90.5000115.1I484 K516 Y517 F522 L523 A641I484-Y488 HydrophobicContact CG2-CD2 3.66Å; I484-Y488 HydrophobicContact CG2-CE2 4.19Å; I484-Y488 WeakPolarHBondContact O-CB 3.37Å; I484-Y488 PolarHBondContact O-N 3.12Å; Y488-K516 HydrophobicContact CD1-CG 4.46Å; Y488-K516 WeakPolarHBondContact CD1-O 3.38Å; Y488-Y517 AromaticContact CD1-CD1 3.8Å; Y488-Y517 HydrophobicContact CD1-CD1 3.8Å; Y488-Y517 HydrophobicContact CD1-CE1 4.18Å; Y488-Y517 HydrophobicContact CD2-CE1 4.33Å; Y488-Y517 AromaticContact CE1-CD1 3.83Å; Y488-Y517 HydrophobicContact CE1-CD1 3.83Å; Y488-Y517 HydrophobicContact CE1-CE1 4.48Å; Y488-Y517 HydrophobicContact CG-CD1 4.18Å; Y488-Y517 HydrophobicContact CG-CE1 4.08Å; Y488-F522 VanDerWaalsContact O-CB 3.31Å; Y488-F522 WeakPolarHBondContact O-CB 3.22Å; Y488-L523 HydrophobicContact CD1-CD2 4.12Å; Y488-L523 HydrophobicContact CG-CD2 4.34Å; Y488-A641 HydrophobicContact CD2-CB 4.41Å; Y488-A641 HydrophobicContact CE1-CB 3.91Å; Y488-A641 HydrophobicContact CE2-CB 3.71Å; Y488-A641 VanDerWaalsContact CZ-CB 3.43Å; Y488-A641 WeakPolarHBondContact OH-CA 3.48Å; Y488-A641 WeakPolarHBondContact OH-CB 3.25Å
489E90.4Very high85Confident21 Ų2155.3 Ų55.310%0.09829%0.291CS..THydrogen-bonded Turntrans-128.326.6177.4-49.9-175.1165.600110.8N485 S491 Y492 K499 W512 K516N485-E489 HydrophobicContact CB-CG 4.21Å; N485-E489 VanDerWaalsContact O-CA 3.25Å; N485-E489 WeakPolarHBondContact O-CA 3.4Å; N485-E489 WeakPolarHBondContact O-CB 3.38Å; N485-E489 PolarHBondContact O-N 3.05Å; N485-E489 PolarHBondContact OD1-OE1 2.97Å; E489-S491 PolarHBondContact O-N 2.87Å; E489-Y492 HydrophobicContact CB-CD1 3.72Å; E489-Y492 HydrophobicContact CB-CE1 4.01Å; E489-Y492 WeakPolarHBondContact O-CD1 3.35Å; E489-K499 WeakPolarHBondContact OE1-CE 3.45Å; E489-K499 IonicContact OE1-NZ 2.83Å; E489-K499 PolarHBondContact OE1-NZ 3.35Å; E489-K499 IonicContact OE2-NZ 3.37Å; E489-K499 PolarHBondContact OE2-NZ 3.35Å; E489-W512 HydrophobicContact CG-CZ2 4.46Å; E489-K516 HydrophobicContact CG-CD 4.14Å; E489-K516 WeakPolarHBondContact OE1-CE 3.34Å; E489-K516 IonicContact OE1-NZ 3.45Å; E489-K516 PolarHBondContact OE1-NZ 2.91Å
490G80.1Confident85.3Confident21 Ų2155.9 Ų55.922%0.21630%0.295CS..SBendtrans-62.9-38.7-175.200000114.4F522 K524G490-F522 PolarHBondContact N-O 3.22Å; G490-F522 VanDerWaalsContact N-O 3.1Å; G490-K524 VanDerWaalsContact C-CE 3.42Å; G490-K524 WeakPolarHBondContact O-CE 3.28Å
491S81Confident85.4Confident9 Ų961 Ų616%0.06332%0.321CS..SBendtrans-116.36.3-171.1720000115.4E489 Q493 E494 Q495 F522E489-S491 PolarHBondContact O-N 2.87Å; S491-Q493 VanDerWaalsContact C-N 3.3Å; S491-Q493 PolarHBondContact O-N 2.9Å; S491-E494 PolarHBondContact O-N 3.14Å; S491-Q495 PolarHBondContact O-N 2.82Å; S491-Q495 PolarHBondContact OG-NE2 3.31Å; S491-F522 PolarHBondContact N-O 3.02Å; S491-F522 WeakPolarHBondContact OG-CA 3.39Å; S491-F522 PolarHBondContact OG-O 3.19Å; S491-F522 VanDerWaalsContact OG-O 3.09Å
492Y80.9Confident85.2Confident41 Ų4163.8 Ų63.816%0.16134%0.339CS..THydrogen-bonded Turntrans-67-31.8-172.684.8-88000113E489 Q495 G496 L497 K499 W512E489-Y492 HydrophobicContact CB-CD1 3.72Å; E489-Y492 HydrophobicContact CB-CE1 4.01Å; E489-Y492 WeakPolarHBondContact O-CD1 3.35Å; Y492-Q495 PolarHBondContact O-N 2.82Å; Y492-G496 PolarHBondContact O-N 3.17Å; Y492-L497 VanDerWaalsContact CD2-O 3.26Å; Y492-L497 WeakPolarHBondContact CD2-O 3.33Å; Y492-L497 PolarHBondContact O-N 3.1Å; Y492-K499 HydrophobicContact CE2-CB 4.42Å; Y492-W512 HydrophobicContact CD1-CH2 4.36Å; Y492-W512 AromaticContact CD2-CH2 3.61Å; Y492-W512 HydrophobicContact CD2-CH2 3.61Å; Y492-W512 HydrophobicContact CD2-CZ3 4.3Å; Y492-W512 HydrophobicContact CE2-CH2 4.23Å; Y492-W512 AromaticContact CG-CH2 3.69Å; Y492-W512 HydrophobicContact CG-CH2 3.69Å
493Q75.3Confident85.2Confident146 Ų14666 Ų6668%0.68236%0.355SS*.THydrogen-bonded Turntrans-68.6-36177.7-64-177-11.300111.6S491 Q495 G496S491-Q493 VanDerWaalsContact C-N 3.3Å; S491-Q493 PolarHBondContact O-N 2.9Å; Q493-Q495 VanDerWaalsContact C-N 3.25Å; Q493-Q495 PolarHBondContact O-N 3.23Å; Q493-G496 PolarHBondContact O-N 2.92Å
494E72.8Confident85.2Confident146 Ų14665 Ų6568%0.68235%0.349SS*.THydrogen-bonded Turntrans-68.6-26.8176.5-62170-168.300111.7S491 K524S491-E494 PolarHBondContact O-N 3.14Å; E494-K524 IonicContact OE1-NZ 3.7Å
495Q70.4Confident85.2Confident96 Ų9667.3 Ų67.345%0.44937%0.366SS..THydrogen-bonded Turntrans-88.42.6176.6-63.8176.618.300113.6S491 Y492 Q493 L497 K521S491-Q495 PolarHBondContact O-N 2.82Å; S491-Q495 PolarHBondContact OG-NE2 3.31Å; Y492-Q495 PolarHBondContact O-N 2.82Å; Q493-Q495 VanDerWaalsContact C-N 3.25Å; Q493-Q495 PolarHBondContact O-N 3.23Å; Q495-L497 HydrophobicContact CB-CD1 4.13Å; Q495-L497 HydrophobicContact CB-CG 4.21Å; Q495-L497 PolarHBondContact O-N 2.89Å; Q495-K521 PolarHBondContact NE2-O 2.63Å
496G72.1Confident85.2Confident65 Ų6571.6 Ų71.667%0.6738%0.38SS*.THydrogen-bonded Turntrans67.714.2179.300000115Y492 Q493Y492-G496 PolarHBondContact O-N 3.17Å; Q493-G496 PolarHBondContact O-N 2.92Å
497L77.8Confident85.4Confident80 Ų8073 Ų7342%0.41939%0.386SS..  trans-83.6146-179-64.7171.7000110.4Y492 Q495 W512 F522Y492-L497 VanDerWaalsContact CD2-O 3.26Å; Y492-L497 WeakPolarHBondContact CD2-O 3.33Å; Y492-L497 PolarHBondContact O-N 3.1Å; Q495-L497 HydrophobicContact CB-CD1 4.13Å; Q495-L497 HydrophobicContact CB-CG 4.21Å; Q495-L497 PolarHBondContact O-N 2.89Å; L497-W512 HydrophobicContact CB-CZ3 4.39Å; L497-F522 HydrophobicContact CD1-CD1 4.28Å; L497-F522 HydrophobicContact CD1-CE1 3.59Å; L497-F522 HydrophobicContact CD1-CZ 4.48Å
498K80.9Confident85.5Confident192 Ų19277.4 Ų77.484%0.83541%0.407SS*.  trans-108.2129.2178-69.5-175.6179.7179.30110.4
499K88.6Confident85.6Confident54 Ų5476.7 Ų76.724%0.23540%0.404CS..PPolyproline II helixtrans-62.7136172.3-171.1170.2-174.8160.80109.8C424 D425 N485 E489 Y492 W512C424-K499 WeakPolarHBondContact O-CE 3.29Å; C424-K499 PolarHBondContact O-NZ 3.26Å; D425-K499 WeakPolarHBondContact O-CE 3.31Å; D425-K499 WeakPolarHBondContact O-CG 3.41Å; N485-K499 PolarHBondContact ND2-NZ 3.47Å; E489-K499 WeakPolarHBondContact OE1-CE 3.45Å; E489-K499 IonicContact OE1-NZ 2.83Å; E489-K499 PolarHBondContact OE1-NZ 3.35Å; E489-K499 IonicContact OE2-NZ 3.37Å; E489-K499 PolarHBondContact OE2-NZ 3.35Å; Y492-K499 HydrophobicContact CE2-CB 4.42Å; K499-W512 HydrophobicContact CB-CH2 4.01Å; K499-W512 HydrophobicContact CB-CZ2 3.93Å; K499-W512 HydrophobicContact CD-CZ2 4.28Å; K499-W512 HydrophobicContact CG-CH2 4.38Å; K499-W512 HydrophobicContact CG-CZ2 3.8Å
500P92.3Very high85.8Confident12 Ų1277.8 Ų77.88%0.07841%0.409CS..PPolyproline II helixtrans-63.2148.3178.226.5-35000111.1C426 K509 W512C426-P500 WeakPolarHBondContact CA-O 3.45Å; P500-K509 HydrophobicContact CB-CG 4.03Å; P500-K509 HydrophobicContact CG-CG 4.34Å; P500-W512 HydrophobicContact CG-CB 3.78Å; P500-W512 HydrophobicContact CG-CD2 4.29Å; P500-W512 HydrophobicContact CG-CG 3.71Å
501L91.4Very high86.5Confident108 Ų10879.6 Ų79.657%0.56542%0.422SS*.PPolyproline II helixtrans-92.9168.2176.1-69.8171.5000110.6C426 S503 S504 K509C426-L501 CarbonylContact O-C 3.44Å; L501-S503 PolarHBondContact O-N 2.79Å; L501-S504 PolarHBondContact N-OG 3.07Å; L501-S504 VanDerWaalsContact O-CB 3.3Å; L501-S504 WeakPolarHBondContact O-CB 3.49Å; L501-S504 PolarHBondContact O-N 2.88Å; L501-S504 PolarHBondContact O-OG 2.81Å; L501-K509 WeakPolarHBondContact O-CE 3.33Å
502P91.5Very high87.1Confident61 Ų6180 Ų8040%0.39642%0.423SS..THydrogen-bonded Turntrans-57.8-32174.8-25.736.1000112.7C426 Q428 K509C426-P502 WeakPolarHBondContact O-CD 3.38Å; C426-P502 WeakPolarHBondContact O-CG 3.45Å; Q428-P502 HydrophobicContact CB-CB 4.12Å; Q428-P502 HydrophobicContact CB-CG 4.26Å; P502-K509 PolarHBondContact O-NZ 3.01Å
503S90.9Very high87.8Confident112 Ų11278 Ų7878%0.78342%0.415SS*.THydrogen-bonded Turntrans-83.7-5.7177.454.30000115L501L501-S503 PolarHBondContact O-N 2.79Å
504S92.9Very high88.8Confident26 Ų2676 Ų7618%0.18240%0.401CS..SBendtrans-65.5152.3177.1-66.30000111.7L501 K509L501-S504 PolarHBondContact N-OG 3.07Å; L501-S504 VanDerWaalsContact O-CB 3.3Å; L501-S504 WeakPolarHBondContact O-CB 3.49Å; L501-S504 PolarHBondContact O-N 2.88Å; L501-S504 PolarHBondContact O-OG 2.81Å; S504-K509 VanDerWaalsContact O-CE 3.3Å; S504-K509 WeakPolarHBondContact O-CE 3.44Å; S504-K509 PolarHBondContact O-NZ 3.44Å
505S94.8Very high89.7Confident50 Ų5069.5 Ų69.535%0.3537%0.372SS..  trans-64.1155178.966.70000111.7Q507 E508 K509S505-Q507 PolarHBondContact O-N 3.27Å; S505-E508 WeakPolarHBondContact CB-OE2 3.32Å; S505-E508 PolarHBondContact N-OE2 3.28Å; S505-E508 PolarHBondContact O-N 3.33Å; S505-E508 VanDerWaalsContact OG-CD 3.26Å; S505-E508 VanDerWaalsContact OG-CG 3.24Å; S505-E508 WeakPolarHBondContact OG-CG 3.46Å; S505-E508 PolarHBondContact OG-N 3.44Å; S505-E508 PolarHBondContact OG-OE2 3.32Å; S505-K509 PolarHBondContact O-N 2.91Å; S505-K509 VanDerWaalsContact O-N 3.09Å
506R92.9Very high90.8Very high120 Ų12064.9 Ų64.945%0.45335%0.351SS..Hα-helixtrans-57.1-37.2177.4-169.4173174.4-108.8-2.9112.1E445 I449 K509 E510E445-R506 HydrophobicContact CG-CG 4.31Å; E445-R506 VanDerWaalsContact OE1-CA 3.31Å; E445-R506 WeakPolarHBondContact OE1-CA 3.23Å; E445-R506 WeakPolarHBondContact OE1-CB 3.37Å; E445-R506 WeakPolarHBondContact OE1-CG 3.39Å; I449-R506 HydrophobicContact CD1-CG 4.26Å; R506-K509 PolarHBondContact O-N 3.16Å; R506-E510 WeakPolarHBondContact O-CB 3.32Å; R506-E510 PolarHBondContact O-N 2.93Å
507Q93.5Very high91.9Very high139 Ų13962.6 Ų62.665%0.6532%0.322SS*.Hα-helixtrans-65.7-41.6179.5-68.481.5-5.600112S505 E510 A511S505-Q507 PolarHBondContact O-N 3.27Å; Q507-E510 PolarHBondContact O-N 2.67Å; Q507-A511 WeakPolarHBondContact O-CB 2.94Å; Q507-A511 PolarHBondContact O-N 2.97Å
508E92.6Very high92.7Very high109 Ų10962.1 Ų62.151%0.50932%0.322SS..Hα-helixtrans-65.8-42.3175.4-70.6164.8135.400111.4S505 E510 A511 W512S505-E508 WeakPolarHBondContact CB-OE2 3.32Å; S505-E508 PolarHBondContact N-OE2 3.28Å; S505-E508 PolarHBondContact O-N 3.33Å; S505-E508 VanDerWaalsContact OG-CD 3.26Å; S505-E508 VanDerWaalsContact OG-CG 3.24Å; S505-E508 WeakPolarHBondContact OG-CG 3.46Å; S505-E508 PolarHBondContact OG-N 3.44Å; S505-E508 PolarHBondContact OG-OE2 3.32Å; E508-E510 VanDerWaalsContact C-N 3.34Å; E508-A511 PolarHBondContact O-N 3.05Å; E508-W512 PolarHBondContact O-N 2.95Å
509K94.8Very high93.2Very high3 Ų357.7 Ų57.71%0.01331%0.305CS..Hα-helixtrans-61.8-41.9174-71.3167.4176.1151.90111.4C426 E445 I449 P500 L501 P502 S504 S505 R506 W512 I513C426-K509 HydrophobicContact CB-CD 4.37Å; C426-K509 HydrophobicContact CB-CG 4.36Å; E445-K509 IonicContact OE1-NZ 3.88Å; E445-K509 IonicContact OE2-NZ 3.74Å; E445-K509 PolarHBondContact OE2-NZ 3.13Å; I449-K509 HydrophobicContact CD1-CB 3.74Å; P500-K509 HydrophobicContact CB-CG 4.03Å; P500-K509 HydrophobicContact CG-CG 4.34Å; L501-K509 WeakPolarHBondContact O-CE 3.33Å; P502-K509 PolarHBondContact O-NZ 3.01Å; S504-K509 VanDerWaalsContact O-CE 3.3Å; S504-K509 WeakPolarHBondContact O-CE 3.44Å; S504-K509 PolarHBondContact O-NZ 3.44Å; S505-K509 PolarHBondContact O-N 2.91Å; S505-K509 VanDerWaalsContact O-N 3.09Å; R506-K509 PolarHBondContact O-N 3.16Å; K509-W512 PolarHBondContact O-N 3.43Å; K509-I513 WeakPolarHBondContact O-CB 3.49Å; K509-I513 VanDerWaalsContact O-CG1 3.22Å; K509-I513 WeakPolarHBondContact O-CG1 3.39Å; K509-I513 PolarHBondContact O-N 2.83Å
510E95.1Very high93.3Very high43 Ų4358.4 Ų58.420%0.20131%0.308CS..Hα-helixtrans-65.8-44.5178.4178.9169.8-175.600112.2I449 R506 Q507 E508 W512 I513 R514I449-E510 HydrophobicContact CD1-CB 4.08Å; I449-E510 HydrophobicContact CG1-CB 4.32Å; I449-E510 HydrophobicContact CG2-CB 4.06Å; I449-E510 HydrophobicContact CG2-CG 4Å; R506-E510 WeakPolarHBondContact O-CB 3.32Å; R506-E510 PolarHBondContact O-N 2.93Å; Q507-E510 PolarHBondContact O-N 2.67Å; E508-E510 VanDerWaalsContact C-N 3.34Å; E510-W512 VanDerWaalsContact C-N 3.33Å; E510-W512 PolarHBondContact O-N 3.08Å; E510-I513 PolarHBondContact O-N 3.4Å; E510-R514 HydrophobicContact CG-CG 4.46Å; E510-R514 WeakPolarHBondContact O-CB 3.41Å; E510-R514 WeakPolarHBondContact O-CG 3.34Å; E510-R514 PolarHBondContact O-N 2.89Å; E510-R514 IonicContact OE1-CZ 3.99Å; E510-R514 IonicContact OE1-NE 2.78Å; E510-R514 PolarHBondContact OE1-NE 3Å; E510-R514 IonicContact OE1-NH2 2.9Å; E510-R514 PolarHBondContact OE1-NH2 3.45Å
511A93.9Very high93.2Very high60 Ų6063.1 Ų63.150%0.49633%0.327SS..Hα-helixtrans-60.1-43.2175.700000111.6Q507 E508 A515Q507-A511 WeakPolarHBondContact O-CB 2.94Å; Q507-A511 PolarHBondContact O-N 2.97Å; E508-A511 PolarHBondContact O-N 3.05Å; A511-A515 VanDerWaalsContact O-CB 3.31Å; A511-A515 WeakPolarHBondContact O-CB 3.49Å; A511-A515 PolarHBondContact O-N 2.89Å
512W94.5Very high93.1Very high17 Ų1758.1 Ų58.16%0.06430%0.301CS..Hα-helixtrans-62.2-49.6175.9179-94.5000112.6E489 Y492 L497 K499 P500 E508 K509 E510 R514 A515 K516 F522E489-W512 HydrophobicContact CG-CZ2 4.46Å; Y492-W512 HydrophobicContact CD1-CH2 4.36Å; Y492-W512 AromaticContact CD2-CH2 3.61Å; Y492-W512 HydrophobicContact CD2-CH2 3.61Å; Y492-W512 HydrophobicContact CD2-CZ3 4.3Å; Y492-W512 HydrophobicContact CE2-CH2 4.23Å; Y492-W512 AromaticContact CG-CH2 3.69Å; Y492-W512 HydrophobicContact CG-CH2 3.69Å; L497-W512 HydrophobicContact CB-CZ3 4.39Å; K499-W512 HydrophobicContact CB-CH2 4.01Å; K499-W512 HydrophobicContact CB-CZ2 3.93Å; K499-W512 HydrophobicContact CD-CZ2 4.28Å; K499-W512 HydrophobicContact CG-CH2 4.38Å; K499-W512 HydrophobicContact CG-CZ2 3.8Å; P500-W512 HydrophobicContact CG-CB 3.78Å; P500-W512 HydrophobicContact CG-CD2 4.29Å; P500-W512 HydrophobicContact CG-CG 3.71Å; E508-W512 PolarHBondContact O-N 2.95Å; K509-W512 PolarHBondContact O-N 3.43Å; E510-W512 VanDerWaalsContact C-N 3.33Å; E510-W512 PolarHBondContact O-N 3.08Å; W512-R514 VanDerWaalsContact C-N 3.33Å; W512-R514 PolarHBondContact O-N 2.9Å; W512-A515 PolarHBondContact O-N 2.83Å; W512-K516 VanDerWaalsContact O-CB 3.32Å; W512-K516 WeakPolarHBondContact O-CB 3.29Å; W512-K516 PolarHBondContact O-N 3.37Å; W512-F522 AromaticContact CD2-CE2 3.94Å; W512-F522 HydrophobicContact CD2-CE2 3.94Å; W512-F522 HydrophobicContact CD2-CZ 4.18Å; W512-F522 AromaticContact CE2-CE2 3.81Å; W512-F522 AromaticContact CE3-CE2 3.94Å; W512-F522 HydrophobicContact CE3-CE2 3.94Å; W512-F522 AromaticContact CE3-CZ 3.75Å; W512-F522 HydrophobicContact CE3-CZ 3.75Å; W512-F522 HydrophobicContact CH2-CD2 4.25Å; W512-F522 AromaticContact CH2-CE2 3.72Å; W512-F522 HydrophobicContact CH2-CE2 3.72Å; W512-F522 AromaticContact CH2-CZ 3.96Å; W512-F522 HydrophobicContact CH2-CZ 3.96Å; W512-F522 HydrophobicContact CZ2-CD2 4.2Å; W512-F522 AromaticContact CZ2-CE2 3.72Å; W512-F522 HydrophobicContact CZ2-CE2 3.72Å; W512-F522 HydrophobicContact CZ2-CZ 4.37Å; W512-F522 HydrophobicContact CZ3-CE1 4.37Å; W512-F522 AromaticContact CZ3-CE2 3.84Å; W512-F522 HydrophobicContact CZ3-CE2 3.84Å; W512-F522 AromaticContact CZ3-CZ 3.63Å; W512-F522 HydrophobicContact CZ3-CZ 3.63Å
513I95.8Very high93Very high0 Ų056.6 Ų56.60%029%0.289CS..Hα-helixtrans-63.5-40.3-177.9-70.8168.7000110.8D425 C446 I449 L453 K509 E510 K516 Y517D425-I513 HydrophobicContact CB-CD1 4.08Å; D425-I513 HydrophobicContact CB-CG1 3.78Å; C446-I513 HydrophobicContact CB-CD1 3.97Å; I449-I513 HydrophobicContact CB-CD1 3.95Å; I449-I513 HydrophobicContact CD1-CD1 3.93Å; I449-I513 HydrophobicContact CG2-CB 4.04Å; I449-I513 HydrophobicContact CG2-CD1 3.82Å; I449-I513 HydrophobicContact CG2-CG2 3.92Å; L453-I513 HydrophobicContact CD1-CG2 3.95Å; K509-I513 WeakPolarHBondContact O-CB 3.49Å; K509-I513 VanDerWaalsContact O-CG1 3.22Å; K509-I513 WeakPolarHBondContact O-CG1 3.39Å; K509-I513 PolarHBondContact O-N 2.83Å; E510-I513 PolarHBondContact O-N 3.4Å; I513-K516 PolarHBondContact O-N 2.78Å; I513-Y517 HydrophobicContact CG2-CD2 3.98Å; I513-Y517 HydrophobicContact CG2-CE2 4.41Å; I513-Y517 WeakPolarHBondContact O-CD2 3.29Å; I513-Y517 PolarHBondContact O-N 3.32Å
514R94.9Very high92.8Very high102 Ų10255.1 Ų55.139%0.38527%0.268SS..Iπ-helixtrans-63.3-46.8173.3-73.9176.8-179.4-99.52.8111.4L453 E510 W512 K516 V518 E519L453-R514 HydrophobicContact CD2-CG 3.81Å; E510-R514 HydrophobicContact CG-CG 4.46Å; E510-R514 WeakPolarHBondContact O-CB 3.41Å; E510-R514 WeakPolarHBondContact O-CG 3.34Å; E510-R514 PolarHBondContact O-N 2.89Å; E510-R514 IonicContact OE1-CZ 3.99Å; E510-R514 IonicContact OE1-NE 2.78Å; E510-R514 PolarHBondContact OE1-NE 3Å; E510-R514 IonicContact OE1-NH2 2.9Å; E510-R514 PolarHBondContact OE1-NH2 3.45Å; W512-R514 VanDerWaalsContact C-N 3.33Å; W512-R514 PolarHBondContact O-N 2.9Å; R514-K516 VanDerWaalsContact C-N 3.27Å; R514-K516 PolarHBondContact O-N 3.34Å; R514-V518 WeakPolarHBondContact O-CA 3.48Å; R514-V518 VanDerWaalsContact O-CB 3.3Å; R514-V518 WeakPolarHBondContact O-CB 3.42Å; R514-V518 PolarHBondContact O-N 2.86Å; R514-E519 PolarHBondContact O-N 3.2Å
515A93.1Very high92.1Very high10 Ų1061.9 Ų61.98%0.08329%0.294CS..Iπ-helixtrans-59.2-39.117700000112.6A511 W512 E519 K520 K521 F522A511-A515 VanDerWaalsContact O-CB 3.31Å; A511-A515 WeakPolarHBondContact O-CB 3.49Å; A511-A515 PolarHBondContact O-N 2.89Å; W512-A515 PolarHBondContact O-N 2.83Å; A515-E519 WeakPolarHBondContact CA-OE2 3.44Å; A515-K520 PolarHBondContact O-N 3.46Å; A515-K520 VanDerWaalsContact O-N 3.07Å; A515-K521 HydrophobicContact CB-CD 4.06Å; A515-K521 PolarHBondContact O-N 2.84Å; A515-F522 HydrophobicContact CB-CE1 4.22Å; A515-F522 HydrophobicContact CB-CE2 4.21Å; A515-F522 HydrophobicContact CB-CZ 3.61Å
516K93.6Very high90.9Very high0 Ų061.4 Ų61.40%029%0.288CS..Iπ-helixtrans-69.6-57.7-179.6-173.5172.1173.6-177.60112.7C424 D425 N485 Y488 E489 W512 I513 R514 K520 F522C424-K516 PolarHBondContact O-NZ 3.26Å; C424-K516 PolarHBondContact SG-NZ 3.31Å; C424-K516 VanDerWaalsContact SG-NZ 3.39Å; D425-K516 IonicContact OD1-NZ 3Å; D425-K516 PolarHBondContact OD1-NZ 3Å; N485-K516 PolarHBondContact OD1-NZ 3.34Å; Y488-K516 HydrophobicContact CD1-CG 4.46Å; Y488-K516 WeakPolarHBondContact CD1-O 3.38Å; E489-K516 HydrophobicContact CG-CD 4.14Å; E489-K516 WeakPolarHBondContact OE1-CE 3.34Å; E489-K516 IonicContact OE1-NZ 3.45Å; E489-K516 PolarHBondContact OE1-NZ 2.91Å; W512-K516 VanDerWaalsContact O-CB 3.32Å; W512-K516 WeakPolarHBondContact O-CB 3.29Å; W512-K516 PolarHBondContact O-N 3.37Å; I513-K516 PolarHBondContact O-N 2.78Å; R514-K516 VanDerWaalsContact C-N 3.27Å; R514-K516 PolarHBondContact O-N 3.34Å; K516-K520 WeakPolarHBondContact O-CA 3.23Å; K516-F522 HydrophobicContact CB-CD2 4.03Å; K516-F522 HydrophobicContact CB-CE2 3.85Å; K516-F522 HydrophobicContact CG-CD2 4.25Å; K516-F522 HydrophobicContact CG-CE2 4.48Å
517Y94.6Very high89.3Confident16 Ų1658.6 Ų58.66%0.06330%0.296CS..Iπ-helixtrans-101-29.4-168.3-60.3-72.3000114.6C424 D425 L438 H450 I484 Y488 I513C424-Y517 PolarHBondContact SG-OH 3Å; C424-Y517 VanDerWaalsContact SG-OH 3.33Å; D425-Y517 VanDerWaalsContact OD1-CE2 3.31Å; D425-Y517 WeakPolarHBondContact OD1-CE2 3.47Å; D425-Y517 PolarHBondContact OD1-OH 3.48Å; D425-Y517 VanDerWaalsContact OD1-OH 3.09Å; L438-Y517 HydrophobicContact CD1-CD1 3.81Å; L438-Y517 HydrophobicContact CD1-CE1 3.83Å; L438-Y517 HydrophobicContact CD1-CG 4.26Å; L438-Y517 HydrophobicContact CD2-CD1 4.33Å; H450-Y517 AromaticContact CE1-CD2 3.49Å; H450-Y517 VanDerWaalsContact CE1-CD2 3.49Å; H450-Y517 WeakPolarHBondContact CE1-CD2 3.41Å; H450-Y517 AromaticContact CE1-CE2 3.26Å; H450-Y517 WeakPolarHBondContact CE1-CE2 3.31Å; H450-Y517 AromaticContact CE1-CZ 3.91Å; H450-Y517 AromaticContact NE2-CD2 3.9Å; H450-Y517 AromaticContact NE2-CE2 3.43Å; H450-Y517 WeakPolarHBondContact NE2-CE2 3.25Å; I484-Y517 HydrophobicContact CG2-CE1 4.38Å; Y488-Y517 AromaticContact CD1-CD1 3.8Å; Y488-Y517 HydrophobicContact CD1-CD1 3.8Å; Y488-Y517 HydrophobicContact CD1-CE1 4.18Å; Y488-Y517 HydrophobicContact CD2-CE1 4.33Å; Y488-Y517 AromaticContact CE1-CD1 3.83Å; Y488-Y517 HydrophobicContact CE1-CD1 3.83Å; Y488-Y517 HydrophobicContact CE1-CE1 4.48Å; Y488-Y517 HydrophobicContact CG-CD1 4.18Å; Y488-Y517 HydrophobicContact CG-CE1 4.08Å; I513-Y517 HydrophobicContact CG2-CD2 3.98Å; I513-Y517 HydrophobicContact CG2-CE2 4.41Å; I513-Y517 WeakPolarHBondContact O-CD2 3.29Å; I513-Y517 PolarHBondContact O-N 3.32Å
518V93.5Very high87.2Confident70 Ų7055.7 Ų55.742%0.42429%0.291SS..Iπ-helixtrans-90.7-52.1-178.4-176.80000110.2L453 R514L453-V518 HydrophobicContact CD1-CG2 4.09Å; L453-V518 HydrophobicContact CD2-CG2 3.92Å; L453-V518 HydrophobicContact CG-CG2 4.48Å; R514-V518 WeakPolarHBondContact O-CA 3.48Å; R514-V518 VanDerWaalsContact O-CB 3.3Å; R514-V518 WeakPolarHBondContact O-CB 3.42Å; R514-V518 PolarHBondContact O-N 2.86Å
519E92.1Very high84.8Confident100 Ų10052 Ų5247%0.46728%0.276SS..SBendtrans-87.6-14.1-176.9-53173163.800112.5R514 A515 K521R514-E519 PolarHBondContact O-N 3.2Å; A515-E519 WeakPolarHBondContact CA-OE2 3.44Å; E519-K521 HydrophobicContact CB-CD 4.24Å; E519-K521 HydrophobicContact CB-CG 3.85Å; E519-K521 PolarHBondContact O-N 3.01Å; E519-K521 VanDerWaalsContact O-N 3.11Å; E519-K521 IonicContact OE1-NZ 3.01Å; E519-K521 WeakPolarHBondContact OE2-CD 3.4Å; E519-K521 WeakPolarHBondContact OE2-CE 3.22Å; E519-K521 IonicContact OE2-NZ 3.37Å; E519-K521 PolarHBondContact OE2-NZ 3.47Å
520K91.8Very high82Confident68 Ų6860.2 Ų60.230%0.29632%0.315SS..  trans53.732.1177.3-64.3169.7168.5-164.10113.2A515 K516 F522 L523 L640 A641A515-K520 PolarHBondContact O-N 3.46Å; A515-K520 VanDerWaalsContact O-N 3.07Å; K516-K520 WeakPolarHBondContact O-CA 3.23Å; K520-F522 PolarHBondContact O-N 2.65Å; K520-F522 VanDerWaalsContact O-N 3.15Å; K520-L523 HydrophobicContact CB-CD1 3.72Å; K520-L523 HydrophobicContact CB-CG 4.09Å; K520-L523 HydrophobicContact CD-CD1 4.26Å; K520-L523 HydrophobicContact CG-CD1 4.15Å; K520-L523 PolarHBondContact O-N 3.38Å; K520-L640 PolarHBondContact NZ-O 3.28Å; K520-A641 WeakPolarHBondContact CD-O 3.5Å; K520-A641 WeakPolarHBondContact CE-O 3.24Å; K520-A641 PolarHBondContact NZ-O 3.14Å
521K88.9Confident79.2Confident111 Ų11163 Ų6348%0.48334%0.335SS..THydrogen-bonded Turntrans-64.8-21.3-169.6-82.4-178.3172.8159.80114.9Q495 A515 E519Q495-K521 PolarHBondContact NE2-O 2.63Å; A515-K521 HydrophobicContact CB-CD 4.06Å; A515-K521 PolarHBondContact O-N 2.84Å; E519-K521 HydrophobicContact CB-CD 4.24Å; E519-K521 HydrophobicContact CB-CG 3.85Å; E519-K521 PolarHBondContact O-N 3.01Å; E519-K521 VanDerWaalsContact O-N 3.11Å; E519-K521 IonicContact OE1-NZ 3.01Å; E519-K521 WeakPolarHBondContact OE2-CD 3.4Å; E519-K521 WeakPolarHBondContact OE2-CE 3.22Å; E519-K521 IonicContact OE2-NZ 3.37Å; E519-K521 PolarHBondContact OE2-NZ 3.47Å
522F90.1Very high76.6Confident4 Ų467.4 Ų67.42%0.01835%0.349CS..THydrogen-bonded Turntrans-105.97.1-172.2-41.1-41000113.4Y488 G490 S491 L497 W512 A515 K516 K520Y488-F522 VanDerWaalsContact O-CB 3.31Å; Y488-F522 WeakPolarHBondContact O-CB 3.22Å; G490-F522 PolarHBondContact N-O 3.22Å; G490-F522 VanDerWaalsContact N-O 3.1Å; S491-F522 PolarHBondContact N-O 3.02Å; S491-F522 WeakPolarHBondContact OG-CA 3.39Å; S491-F522 PolarHBondContact OG-O 3.19Å; S491-F522 VanDerWaalsContact OG-O 3.09Å; L497-F522 HydrophobicContact CD1-CD1 4.28Å; L497-F522 HydrophobicContact CD1-CE1 3.59Å; L497-F522 HydrophobicContact CD1-CZ 4.48Å; W512-F522 AromaticContact CD2-CE2 3.94Å; W512-F522 HydrophobicContact CD2-CE2 3.94Å; W512-F522 HydrophobicContact CD2-CZ 4.18Å; W512-F522 AromaticContact CE2-CE2 3.81Å; W512-F522 AromaticContact CE3-CE2 3.94Å; W512-F522 HydrophobicContact CE3-CE2 3.94Å; W512-F522 AromaticContact CE3-CZ 3.75Å; W512-F522 HydrophobicContact CE3-CZ 3.75Å; W512-F522 HydrophobicContact CH2-CD2 4.25Å; W512-F522 AromaticContact CH2-CE2 3.72Å; W512-F522 HydrophobicContact CH2-CE2 3.72Å; W512-F522 AromaticContact CH2-CZ 3.96Å; W512-F522 HydrophobicContact CH2-CZ 3.96Å; W512-F522 HydrophobicContact CZ2-CD2 4.2Å; W512-F522 AromaticContact CZ2-CE2 3.72Å; W512-F522 HydrophobicContact CZ2-CE2 3.72Å; W512-F522 HydrophobicContact CZ2-CZ 4.37Å; W512-F522 HydrophobicContact CZ3-CE1 4.37Å; W512-F522 AromaticContact CZ3-CE2 3.84Å; W512-F522 HydrophobicContact CZ3-CE2 3.84Å; W512-F522 AromaticContact CZ3-CZ 3.63Å; W512-F522 HydrophobicContact CZ3-CZ 3.63Å; A515-F522 HydrophobicContact CB-CE1 4.22Å; A515-F522 HydrophobicContact CB-CE2 4.21Å; A515-F522 HydrophobicContact CB-CZ 3.61Å; K516-F522 HydrophobicContact CB-CD2 4.03Å; K516-F522 HydrophobicContact CB-CE2 3.85Å; K516-F522 HydrophobicContact CG-CD2 4.25Å; K516-F522 HydrophobicContact CG-CE2 4.48Å; K520-F522 PolarHBondContact O-N 2.65Å; K520-F522 VanDerWaalsContact O-N 3.15Å
523L89.6Confident73.7Confident29 Ų2971.7 Ų71.715%0.15238%0.376CS..PPolyproline II helixtrans-70.6135.9176.5-62.4-176000110.5I487 Y488 K520 A641I487-L523 HydrophobicContact CG2-CD2 4.26Å; I487-L523 WeakPolarHBondContact O-CD2 3.48Å; Y488-L523 HydrophobicContact CD1-CD2 4.12Å; Y488-L523 HydrophobicContact CG-CD2 4.34Å; K520-L523 HydrophobicContact CB-CD1 3.72Å; K520-L523 HydrophobicContact CB-CG 4.09Å; K520-L523 HydrophobicContact CD-CD1 4.26Å; K520-L523 HydrophobicContact CG-CD1 4.15Å; K520-L523 PolarHBondContact O-N 3.38Å; L523-A641 HydrophobicContact CD1-CB 4.08Å; L523-A641 WeakPolarHBondContact CD1-O 3.37Å; L523-A641 HydrophobicContact CD2-CB 3.99Å
524K85.1Confident70.4Confident80 Ų8079.3 Ų79.335%0.34842%0.417SS..PPolyproline II helixtrans-73.9157.8166.5-70.2-170-179.2-162.90109.8G490 E494 L526 H642G490-K524 VanDerWaalsContact C-CE 3.42Å; G490-K524 WeakPolarHBondContact O-CE 3.28Å; E494-K524 IonicContact OE1-NZ 3.7Å; K524-L526 PolarHBondContact O-N 3.11Å; K524-H642 PolarHBondContact O-CE1 3.45Å; K524-H642 PolarHBondContact O-NE2 3.13Å
525K79.3Confident67.1Low168 Ų16877.1 Ų77.173%0.7343%0.427SS*.PPolyproline II helixtrans-60.2136.6172.9-73.8-173.2176.4-171.90110.1G527 S528K525-G527 PolarHBondContact O-N 3.37Å; K525-S528 VanDerWaalsContact O-CB 3.29Å; K525-S528 WeakPolarHBondContact O-CB 3.5Å; K525-S528 PolarHBondContact O-N 3.24Å; K525-S528 PolarHBondContact O-OG 2.96Å
526L70.2Confident63.8Low40 Ų4085.5 Ų85.521%0.20946%0.464CS..THydrogen-bonded Turntrans-55.6123.2178.5-168.970.8000109.7K524 M618 P620 L623 E638 H642K524-L526 PolarHBondContact O-N 3.11Å; L526-M618 WeakPolarHBondContact CD2-O 3.45Å; L526-P620 HydrophobicContact CD2-CG 3.97Å; L526-L623 HydrophobicContact CD1-CD2 3.83Å; L526-E638 HydrophobicContact CD1-CG 4.4Å; L526-H642 HydrophobicContact CD1-CB 4.4Å
527G58.1Low60.9Low61 Ų6197.2 Ų97.263%0.62951%0.508SS*.THydrogen-bonded Turntrans90.6-2.8-174.900000116.1K525 T529K525-G527 PolarHBondContact O-N 3.37Å; G527-T529 VanDerWaalsContact C-N 3.32Å
528S49.3Very low57.6Low78 Ų78106 Ų10655%0.54555%0.547SS..  trans-84.8-9.6166.1-55.30000112.7K525 E530K525-S528 VanDerWaalsContact O-CB 3.29Å; K525-S528 WeakPolarHBondContact O-CB 3.5Å; K525-S528 PolarHBondContact O-N 3.24Å; K525-S528 PolarHBondContact O-OG 2.96Å; S528-E530 PolarHBondContact O-N 3.15Å
529T42.6Very low54.3Low31 Ų31107.5 Ų107.519%0.1956%0.56CS.*SBendtrans-73.5112.3169-35.80000106.7G527 V531 E638G527-T529 VanDerWaalsContact C-N 3.32Å; T529-V531 PolarHBondContact O-N 3.11Å; T529-E638 PolarHBondContact OG1-OE1 2.99Å
530E36.5Very low51.4Low177 Ų177112 Ų11283%0.82758%0.582SS**  trans-48.5116.4162.4-76.9-174.916600106.4S528 L532S528-E530 PolarHBondContact O-N 3.15Å; E530-L532 PolarHBondContact O-N 3.28Å
531V35.4Very low48.4Very low102 Ų102119.3 Ų119.362%0.61861%0.607SS**  trans-43.2131.4176.9-178.10000107.3T529 V533T529-V531 PolarHBondContact O-N 3.11Å; V531-V533 HydrophobicContact CB-CB 4.43Å; V531-V533 HydrophobicContact CG1-CB 3.74Å; V531-V533 HydrophobicContact CG1-CG2 3.47Å; V531-V533 VanDerWaalsContact CG1-CG2 3.47Å; V531-V533 PolarHBondContact O-N 3.33Å
532L40.3Very low45.5Very low151 Ų151121.1 Ų121.179%0.79162%0.617SS**SBendtrans-65.344.1166.6-78.1160.6000111.5E530E530-L532 PolarHBondContact O-N 3.28Å
533V33.7Very low42.5Very low107 Ų107131.7 Ų131.765%0.64866%0.657SS**  trans-113.378.7161.1176.10000104.6V531 G535V531-V533 HydrophobicContact CB-CB 4.43Å; V531-V533 HydrophobicContact CG1-CB 3.74Å; V531-V533 HydrophobicContact CG1-CG2 3.47Å; V531-V533 VanDerWaalsContact CG1-CG2 3.47Å; V531-V533 PolarHBondContact O-N 3.33Å; V533-G535 PolarHBondContact O-N 3.22Å; V533-G535 VanDerWaalsContact O-N 3.12Å
534N25.8Very low39.6Very low160 Ų160137.9 Ų137.986%0.85669%0.689SS**  trans-7985.7152.1-99.6-10.7000107.4
535G25.2Very low36.9Very low57 Ų57137.6 Ų137.659%0.58870%0.696SS**  trans-84.297.2147.700000108.5V533 R537V533-G535 PolarHBondContact O-N 3.22Å; V533-G535 VanDerWaalsContact O-N 3.12Å; G535-R537 PolarHBondContact O-N 3.4Å
536E25Very low34.4Very low185 Ų185138 Ų13886%0.86470%0.698SS**  trans-67.5110.6140.3-79.7-166.6150.500106.1K538E536-K538 VanDerWaalsContact C-N 3.32Å; E536-K538 PolarHBondContact O-N 2.92Å
537R32.2Very low32.6Very low246 Ų246144.4 Ų144.493%0.92873%0.732SS**SBendtrans-5796.3169.9-85.1177.7169.6167.6-2.7109.1G535G535-R537 PolarHBondContact O-N 3.4Å
538K24.2Very low31.3Very low202 Ų202152.3 Ų152.388%0.87874%0.743SS**SBendtrans-165.1118.1144.7-102.5166-166.4-1780110.3E536E536-K538 VanDerWaalsContact C-N 3.32Å; E536-K538 PolarHBondContact O-N 2.92Å
539S25.4Very low30.2Very low100 Ų100156 Ų15670%0.69975%0.751SS**  trans71.282.6162.8-152.70000117.3R541S539-R541 PolarHBondContact O-N 3.11Å
540E30.6Very low29.5Very low196 Ų196161.6 Ų161.692%0.91679%0.785SS**SBendtrans-62.878.7151.3-159.9170.8-14600109.4
541R29.4Very low29.1Very low221 Ų221159.3 Ų159.383%0.83477%0.773SS**SBendtrans177.467.3163.9-103.5-174.8-91.4-170.7-6108.6S539S539-R541 PolarHBondContact O-N 3.11Å
542H28.3Very low28.6Very low149 Ų149161.4 Ų161.469%0.6979%0.786SS**SBendtrans-158.2-19.3163.7-122.383.6000117.4
543W25.7Very low27.8Very low226 Ų226163.8 Ų163.886%0.85679%0.793SS**SBendtrans-95.4-13.9-177.7-75.4103.6000115.5S545W543-S545 VanDerWaalsContact C-N 3.26Å; W543-S545 PolarHBondContact O-N 2.86Å
544I29.7Very low27.3Very low159 Ų159168.5 Ų168.582%0.81581%0.805SS**THydrogen-bonded Turntrans-81-4.1169.4-65.6176.9000112.3
545S26.8Very low27.4Very low73 Ų73168.4 Ų168.451%0.5180%0.802SS.*THydrogen-bonded Turntrans-96.9-10179.3-580000114.6W543W543-S545 VanDerWaalsContact C-N 3.26Å; W543-S545 PolarHBondContact O-N 2.86Å
546K28.8Very low27.2Very low176 Ų176171.2 Ų171.277%0.76581%0.813SS**SBendtrans-10710.6-175.5-141.5165.4-174.8173.80116.2
547L31.7Very low27.2Very low176 Ų176171.6 Ų171.692%0.92181%0.812SS**SBendtrans-115.617158.4-96.5150.5000112.1
548R30.6Very low26.7Very low226 Ų226165.6 Ų165.685%0.85381%0.807SS**SBendtrans-131.28.4175.5-128.6178.8-178.4-170.2-0.1115.9
549Q26.5Very low26.7Very low156 Ų156164.2 Ų164.273%0.72981%0.809SS**  trans-138.276.5173.7-82-174.1-13.500112.8
550V27.7Very low26.6Very low148 Ų148164.4 Ų164.490%0.89781%0.81SS**  trans-130.666.1136-174.70000106.9
551K27.8Very low26.3Very low130 Ų130160.2 Ų160.257%0.56580%0.803SS**SBendtrans-128.9138.1138.8-105.3-179.2150.3132.30105.4E402E402-K551 VanDerWaalsContact OE1-CD 3.25Å; E402-K551 WeakPolarHBondContact OE1-CD 3.37Å; E402-K551 WeakPolarHBondContact OE1-CE 3.22Å; E402-K551 WeakPolarHBondContact OE1-CG 3.31Å; E402-K551 IonicContact OE1-NZ 2.77Å; E402-K551 PolarHBondContact OE1-NZ 2.9Å; E402-K551 WeakPolarHBondContact OE2-CE 3.47Å; E402-K551 IonicContact OE2-NZ 3.37Å; E402-K551 PolarHBondContact OE2-NZ 3.47Å
552T24.6Very low26Very low146 Ų146156.9 Ų156.990%0.89680%0.801SS**  trans71.586.6-18044.50000117.7
553Q24.8Very low26Very low201 Ų201155.1 Ų155.194%0.93981%0.806SS**  trans-91.6111.8140.7-93.9-177.3-22.800108.3
554K23.4Very low26Very low206 Ų206147.8 Ų147.890%0.89680%0.8SS**  trans-113.2132.3147-118.8-175.5-176.5-1790107.2
555I26.2Very low26Very low157 Ų157149.1 Ų149.181%0.80581%0.808SS**  trans-59.5133.9-171.3-65.7152.4000111.5
556S21.3Very low26.1Very low117 Ų117149.6 Ų149.682%0.81882%0.824SS**  trans-150.3125.3144.259.20000111.5
557K24.7Very low26Very low193 Ų193144.7 Ų144.784%0.83982%0.824SS**PPolyproline II helixtrans-59142.2176.3-70.7167.1170.7174.70111.8
558S22.3Very low25.8Very low119 Ų119141.8 Ų141.883%0.83282%0.818SS**PPolyproline II helixtrans-69.6124.6155.851.80000109.6
559L24.6Very low25.8Very low173 Ų173135.9 Ų135.991%0.90681%0.807SS**PPolyproline II helixtrans-84.2123.7162.6-89.6154000108.6
560S22.9Very low25.9Very low105 Ų105135.8 Ų135.873%0.73481%0.812SS**PPolyproline II helixtrans-84.8141.2150.91790000107.7
561S25.1Very low25.9Very low108 Ų108132 Ų13276%0.75580%0.802SS**PPolyproline II helixtrans-47.3131.9174.243.30000114.9
562D22.9Very low26Very low151 Ų151131.1 Ų131.181%0.80781%0.813SS**  -158.3147.8120.5-143-19.6000111.9
563S28.4Very low26Very low112 Ų112129.1 Ų129.178%0.78380%0.8SS**  trans-25.7147.8178.9440000122.6
564G26Very low26Very low71 Ų71126 Ų12673%0.73279%0.79SS**  trans141.787.6146.500000119.9
565L28Very low26.1Very low188 Ų188122.3 Ų122.398%0.98478%0.779SS**  trans47.6120.7136-61.2165.1000122.7
566G28.7Very low26.1Very low82 Ų82122.1 Ų122.185%0.84578%0.779SS**  123.4108.2122.200000120.8
567G28.2Very low26.3Very low74 Ų74122.3 Ų122.376%0.76378%0.775SS**  trans79.5106.114500000118.3
568S27.7Very low26.2Very low115 Ų115123.5 Ų123.580%0.80478%0.78SS**  55127.472.3-125.10000111.9
569T30Very low26.2Very low101 Ų101120.8 Ų120.862%0.6277%0.771SS**  cis-169.3142.835.4350000110
570D28.7Very low26.3Very low155 Ų155117.8 Ų117.883%0.82977%0.765SS**  57145.6120-35.4-16.2000118.4
571G26.7Very low26.3Very low67 Ų67119 Ų11969%0.69177%0.767SS**  cis169.6138.48.800000104.8
572S29.9Very low26.4Very low113 Ų113119.4 Ų119.479%0.7977%0.765SS**  109.215197-172.50000112.8
573T24.8Very low26.3Very low103 Ų103119.2 Ų119.263%0.63276%0.764SS**  trans103.4103.6141.6-10.10000118.9
574D26.3Very low26.1Very low135 Ų135118.3 Ų118.372%0.72276%0.758SS**  68.4156.8118.1-69.85.3000121.7
575I25.2Very low26Very low130 Ų130120.6 Ų120.667%0.66776%0.757SS**  cis178.2169.4-18.9-107.2169.4000104.6
576L25.8Very low25.8Very low152 Ų152118 Ų11880%0.79675%0.749SS**  trans107.2114.2164.5-54.7-176.8000115.4
577V24.7Very low25.6Very low122 Ų122122.4 Ų122.474%0.73975%0.748SS**  cis87.9122.942.6179.60000115
578F22.9Very low25.3Very low218 Ų218127.4 Ų127.496%0.95675%0.751SS**  trans-162.9131.1141.6-101.5-82.1000105.2
579G23.6Very low25.2Very low62 Ų62125.5 Ų125.564%0.63975%0.75SS**  cis124.589.724.500000107.5
580S25.3Very low24.9Very low110 Ų110132.6 Ų132.677%0.76977%0.765SS**  81.4136.395.586.20000117.2
581V24.3Very low24.6Very low130 Ų130130.4 Ų130.479%0.78876%0.762SS**  trans179.2111.9130.3160.50000104.6
582V26.6Very low24.5Very low117 Ų117133.3 Ų133.371%0.70977%0.772SS**  cis76.5113.645.8-46.70000117.3
583D21.2Very low24Very low147 Ų147134.3 Ų134.379%0.78677%0.767SS**  -157.9107.9123.9-102.4-27.3000106.7
584S23.9Very low23.7Very low93 Ų93138.1 Ų138.165%0.6578%0.775SS**  75.7130.778.378.70000110.8
585V23.3Very low23.6Very low119 Ų119136.6 Ų136.672%0.72177%0.774SS**  cis-162.714837.5-170.60000111.8
586T24.9Very low23.4Very low134 Ų134139.7 Ų139.782%0.82279%0.786SS**  trans78124.1150.345.50000125.9
587E23.8Very low23.2Very low173 Ų173137.4 Ų137.481%0.80878%0.778SS**  trans-54.3167.4156.8-64.4-171.7137.900113.3
588E22.7Very low23Very low180 Ų180135.9 Ų135.984%0.84177%0.772SS**  cis-170.5155.233.9-144.2-180-157.800106.7
589G24.6Very low23Very low75 Ų75133.5 Ų133.577%0.77376%0.764SS**  trans147.1104.4162.400000118.7
590R24.1Very low22.9Very low250 Ų250139.8 Ų139.894%0.94378%0.777SS**  trans-37.3154.5163.2-165.2-179.7-159.3-155.14.6116.4
591S22.2Very low22.8Very low108 Ų108139.3 Ų139.376%0.75577%0.774SS**  trans97.7103.6158.7-169.60000116.4
592S23.6Very low22.9Very low128 Ų128139 Ų13990%0.89578%0.778SS**  trans-104.7110.1165.4-172.60000109.1
593L20.4Very low22.7Very low134 Ų134137.3 Ų137.370%0.70278%0.783SS**  trans-147.1125.7164.3-103.8163.2000108.1
594K19.1Very low22.9Very low184 Ų184139.1 Ų139.180%0.879%0.787SS**  trans52116.5142.6-81.6-179.7176.3-178.30118.6
595C24.6Very low22.9Very low103 Ų103141.1 Ų141.170%0.69680%0.795SS**  86.8105.572.1-170.20000111.4
596E19.5Very low22.9Very low194 Ų194142.8 Ų142.891%0.90780%0.795SS**  trans-141.8112.7151.4-73.9-168155.800106.7
597V21.7Very low23.2Very low104 Ų104141.4 Ų141.463%0.6380%0.798SS**  79.5130.563.9-177.60000107.6
598S21.9Very low23.2Very low90 Ų90140.6 Ų140.663%0.62979%0.794SS**  cis-174.4139.741.7-0.50000108
599E22.8Very low23.7Very low168 Ų168138.8 Ų138.879%0.78580%0.795SS**  79.113192.7-62.5172.5-179.400112.5
600E21.1Very low23.8Very low195 Ų195139.9 Ų139.991%0.91179%0.791SS**  -124.7145.953.7-61.8172.7149.900112.2
601S23.1Very low23.8Very low100 Ų100134.4 Ų134.470%0.69978%0.781SS**  cis107.6136.221.7-170.50000114.2
602S26Very low24.6Very low124 Ų124135.2 Ų135.287%0.86778%0.783SS**  trans81.1121.7174.675.30000117.3
603G22.7Very low25.2Very low80 Ų80137.2 Ų137.283%0.82578%0.778SS**  cis-158.2158.87.700000112.9
604E26.3Very low26Very low186 Ų186135.4 Ų135.487%0.86977%0.769SS**  trans-70.9150-174.8-57.3165.1151.700112.5
605T22.8Very low27Very low134 Ų134133 Ų13382%0.82277%0.77SS**  trans-148.5102.3131.137.60000108.8
606E23.5Very low28.1Very low155 Ų155137.1 Ų137.172%0.72477%0.771SS**  trans47.6103.1131.8-59.2-179.1168.800117.7E608E606-E608 VanDerWaalsContact C-N 3.25Å; E606-E608 PolarHBondContact O-N 2.93Å
607A31.3Very low30Very low105 Ų105136.1 Ų136.187%0.86877%0.767SS**  trans-67.693.4146.700000107.1T609A607-T609 PolarHBondContact O-N 3.35Å; A607-T609 VanDerWaalsContact O-N 3.07Å
608E24.1Very low32.1Very low156 Ų156134.6 Ų134.673%0.72975%0.753SS**  trans-60.1113.8169.8-79.4-165155.100109.2E606 S610E606-E608 VanDerWaalsContact C-N 3.25Å; E606-E608 PolarHBondContact O-N 2.93Å; E608-S610 VanDerWaalsContact C-N 3.31Å; E608-S610 PolarHBondContact O-N 3.37Å; E608-S610 VanDerWaalsContact O-N 3.09Å
609T32.7Very low35.2Very low142 Ų142134.5 Ų134.587%0.87175%0.746SS**  trans-58.696.6148.144.80000108.1A607A607-T609 PolarHBondContact O-N 3.35Å; A607-T609 VanDerWaalsContact O-N 3.07Å
610S26.2Very low38.4Very low97 Ų97127.9 Ų127.968%0.67872%0.717SS**  trans-88.2124.1161.660.20000108.6E608E608-S610 VanDerWaalsContact C-N 3.31Å; E608-S610 PolarHBondContact O-N 3.37Å; E608-S610 VanDerWaalsContact O-N 3.09Å
611D25.2Very low41.7Very low136 Ų136118.7 Ų118.773%0.72768%0.675SS**  trans-42.1164169.4-103.9-38.5000113.5E613D611-E613 PolarHBondContact O-N 3.34Å
612P38.9Very low44.9Very low125 Ų125116.1 Ų116.181%0.81266%0.655SS**  trans-70.276.8165.332.2-29.4000108.5D614P612-D614 PolarHBondContact O-N 2.92Å
613E34.9Very low48Very low169 Ų169111.6 Ų111.679%0.7962%0.621SS**  trans-70.7111.3172.2-88.1-170.1148.100109.6D611D611-E613 PolarHBondContact O-N 3.34Å
614D36.9Very low51.4Low96 Ų96107.8 Ų107.851%0.51358%0.582SS.*  trans15.6101.9154.4-126.2-1.7000116.2P612 R616P612-D614 PolarHBondContact O-N 2.92Å; D614-R616 HydrophobicContact CB-CB 4.4Å; D614-R616 PolarHBondContact O-N 3.05Å; D614-R616 VanDerWaalsContact OD1-CD 3.27Å; D614-R616 WeakPolarHBondContact OD1-CD 3.4Å; D614-R616 VanDerWaalsContact OD1-CG 3.28Å; D614-R616 WeakPolarHBondContact OD1-CG 3.27Å; D614-R616 IonicContact OD1-CZ 3.21Å; D614-R616 IonicContact OD1-NE 3.7Å; D614-R616 PolarHBondContact OD1-NE 2.83Å; D614-R616 VanDerWaalsContact OD1-NE 3.1Å; D614-R616 IonicContact OD1-NH1 2.72Å; D614-R616 PolarHBondContact OD1-NH1 2.72Å; D614-R616 IonicContact OD1-NH2 3.48Å; D614-R616 WeakPolarHBondContact OD2-CD 3.44Å; D614-R616 IonicContact OD2-CZ 2.62Å; D614-R616 IonicContact OD2-NE 3.8Å; D614-R616 IonicContact OD2-NH1 3.66Å; D614-R616 PolarHBondContact OD2-NH1 3.19Å
615T41.3Very low54.6Low133 Ų13399.9 Ų99.982%0.81654%0.544SS*.  trans-69.146.816048.30000111.4
616R47.2Very low57.9Low190 Ų19099.2 Ų99.272%0.71753%0.53SS*.SBendtrans-108.5104.5174.1-68.6-174.2-165.1135.90.4107.7D614D614-R616 HydrophobicContact CB-CB 4.4Å; D614-R616 PolarHBondContact O-N 3.05Å; D614-R616 VanDerWaalsContact OD1-CD 3.27Å; D614-R616 WeakPolarHBondContact OD1-CD 3.4Å; D614-R616 VanDerWaalsContact OD1-CG 3.28Å; D614-R616 WeakPolarHBondContact OD1-CG 3.27Å; D614-R616 IonicContact OD1-CZ 3.21Å; D614-R616 IonicContact OD1-NE 3.7Å; D614-R616 PolarHBondContact OD1-NE 2.83Å; D614-R616 VanDerWaalsContact OD1-NE 3.1Å; D614-R616 IonicContact OD1-NH1 2.72Å; D614-R616 PolarHBondContact OD1-NH1 2.72Å; D614-R616 IonicContact OD1-NH2 3.48Å; D614-R616 WeakPolarHBondContact OD2-CD 3.44Å; D614-R616 IonicContact OD2-CZ 2.62Å; D614-R616 IonicContact OD2-NE 3.8Å; D614-R616 IonicContact OD2-NH1 3.66Å; D614-R616 PolarHBondContact OD2-NH1 3.19Å
617E59.1Low61.2Low174 Ų17492.2 Ų92.281%0.81350%0.498SS*.  trans6462.8172.4-60.3-174.5169.400115.7
618M67.1Low64.2Low72 Ų7287.2 Ų87.236%0.35546%0.457SS..  trans-72.4127.7162-166161.465.600109.5L526 T622 L623 K626L526-M618 WeakPolarHBondContact CD2-O 3.45Å; M618-T622 HydrophobicContact CG-CG2 3.85Å; M618-T622 HydrophobicContact SD-CG2 3.85Å; M618-L623 HydrophobicContact CE-CB 4.1Å; M618-L623 HydrophobicContact CE-CD1 3.51Å; M618-L623 HydrophobicContact CE-CG 4.42Å; M618-K626 HydrophobicContact CE-CD 4.21Å; M618-K626 HydrophobicContact SD-CD 3.94Å; M618-K626 PolarHBondContact SD-NZ 3.26Å
619D86.1Confident67.5Low88 Ų8885 Ų8547%0.47145%0.445SS..  trans-53.4137.4177.9171.178.4000111.7G621 T622 L623D619-G621 PolarHBondContact O-N 3.22Å; D619-G621 VanDerWaalsContact O-N 3.16Å; D619-G621 VanDerWaalsContact OD2-CA 3.29Å; D619-G621 WeakPolarHBondContact OD2-CA 3.36Å; D619-G621 PolarHBondContact OD2-N 2.86Å; D619-T622 PolarHBondContact O-N 2.8Å; D619-T622 VanDerWaalsContact O-N 3.07Å; D619-T622 PolarHBondContact OD2-N 2.78Å; D619-L623 PolarHBondContact O-N 2.86Å
620P89.7Confident70.3Confident28 Ų2881.7 Ų81.718%0.18243%0.432CS..Hα-helixtrans-52.1-36.3-179.9-2630.7000114.3L526 L623 L624 H642 A644L526-P620 HydrophobicContact CD2-CG 3.97Å; P620-L623 WeakPolarHBondContact O-CB 3.5Å; P620-L623 PolarHBondContact O-N 3.44Å; P620-L624 PolarHBondContact O-N 3.35Å; P620-H642 HydrophobicContact CB-CB 4.1Å; P620-H642 HydrophobicContact CG-CB 3.95Å; P620-A644 HydrophobicContact CB-CB 3.82Å; P620-A644 VanDerWaalsContact O-CB 3.29Å; P620-A644 WeakPolarHBondContact O-CB 3.21Å
621G90.8Very high73.5Confident2 Ų284 Ų842%0.02143%0.426CS..Hα-helixtrans-66-45.3177.600000112.3D619 L623 L624 Y625D619-G621 PolarHBondContact O-N 3.22Å; D619-G621 VanDerWaalsContact O-N 3.16Å; D619-G621 VanDerWaalsContact OD2-CA 3.29Å; D619-G621 WeakPolarHBondContact OD2-CA 3.36Å; D619-G621 PolarHBondContact OD2-N 2.86Å; G621-L623 VanDerWaalsContact C-N 3.28Å; G621-L623 PolarHBondContact O-N 3.09Å; G621-L624 PolarHBondContact O-N 2.72Å; G621-Y625 WeakPolarHBondContact O-CB 3.21Å; G621-Y625 PolarHBondContact O-N 3.25Å
622T90Very high76.8Confident47 Ų4780.7 Ų80.729%0.28841%0.408SS..Hα-helixtrans-62.3-37.2173.9-580000111.7M618 D619 Y625 K626M618-T622 HydrophobicContact CG-CG2 3.85Å; M618-T622 HydrophobicContact SD-CG2 3.85Å; D619-T622 PolarHBondContact O-N 2.8Å; D619-T622 VanDerWaalsContact O-N 3.07Å; D619-T622 PolarHBondContact OD2-N 2.78Å; T622-Y625 WeakPolarHBondContact O-CB 3.24Å; T622-Y625 PolarHBondContact O-N 3.26Å; T622-K626 HydrophobicContact CG2-CD 4.28Å; T622-K626 PolarHBondContact O-N 3.44Å
623L91.6Very high79.4Confident29 Ų2974.9 Ų74.915%0.15237%0.37CS..Hα-helixtrans-64.1-47.7175.2-177.265.3000111.8L526 M618 D619 P620 G621 Y625 K626 A627 V635 A639L526-L623 HydrophobicContact CD1-CD2 3.83Å; M618-L623 HydrophobicContact CE-CB 4.1Å; M618-L623 HydrophobicContact CE-CD1 3.51Å; M618-L623 HydrophobicContact CE-CG 4.42Å; D619-L623 PolarHBondContact O-N 2.86Å; P620-L623 WeakPolarHBondContact O-CB 3.5Å; P620-L623 PolarHBondContact O-N 3.44Å; G621-L623 VanDerWaalsContact C-N 3.28Å; G621-L623 PolarHBondContact O-N 3.09Å; L623-Y625 VanDerWaalsContact C-N 3.29Å; L623-Y625 PolarHBondContact O-N 2.98Å; L623-K626 PolarHBondContact O-N 2.76Å; L623-A627 WeakPolarHBondContact O-CB 3.42Å; L623-A627 PolarHBondContact O-N 3.39Å; L623-V635 HydrophobicContact CD1-CG1 3.61Å; L623-V635 HydrophobicContact CD2-CG1 4.17Å; L623-V635 HydrophobicContact CG-CG1 3.81Å; L623-A639 HydrophobicContact CB-CB 4.29Å; L623-A639 HydrophobicContact CD2-CB 4.08Å; L623-A639 HydrophobicContact CG-CB 4.15Å
624L94.6Very high82.2Confident0 Ų068.6 Ų68.60%034%0.344CS..Hα-helixtrans-59-43.1176.2-177.561.3000111.1P620 G621 A627 S628 M636 A639 L640 A644 P658 L674P620-L624 PolarHBondContact O-N 3.35Å; G621-L624 PolarHBondContact O-N 2.72Å; L624-A627 PolarHBondContact O-N 3.07Å; L624-S628 WeakPolarHBondContact O-CB 3.23Å; L624-S628 PolarHBondContact O-N 3.2Å; L624-S628 PolarHBondContact O-OG 2.87Å; L624-M636 HydrophobicContact CD1-CB 3.74Å; L624-M636 HydrophobicContact CD1-CE 4.5Å; L624-M636 HydrophobicContact CD1-CG 3.98Å; L624-A639 HydrophobicContact CB-CB 3.79Å; L624-A639 HydrophobicContact CD1-CB 4.36Å; L624-L640 HydrophobicContact CD1-CG 4.27Å; L624-L640 HydrophobicContact CD2-CD2 3.71Å; L624-L640 HydrophobicContact CD2-CG 4.3Å; L624-A644 HydrophobicContact CB-CB 3.95Å; L624-A644 HydrophobicContact CD2-CB 3.96Å; L624-P658 HydrophobicContact CD2-CB 4.34Å; L624-P658 HydrophobicContact CD2-CG 4.12Å; L624-P658 HydrophobicContact CG-CB 4.11Å; L624-P658 HydrophobicContact CG-CG 4.15Å; L624-L674 HydrophobicContact CD1-CD2 4.08Å; L624-L674 HydrophobicContact CD2-CD2 4.36Å; L624-L674 HydrophobicContact CG-CD2 4.45Å
625Y93.3Very high84.9Confident19 Ų1965.7 Ų65.78%0.07533%0.33CS..Hα-helixtrans-59-54.1179.1-173-94.1000112.6G621 T622 L623 S628 K629 N650 D653 K656 P658 Q661G621-Y625 WeakPolarHBondContact O-CB 3.21Å; G621-Y625 PolarHBondContact O-N 3.25Å; T622-Y625 WeakPolarHBondContact O-CB 3.24Å; T622-Y625 PolarHBondContact O-N 3.26Å; L623-Y625 VanDerWaalsContact C-N 3.29Å; L623-Y625 PolarHBondContact O-N 2.98Å; Y625-S628 PolarHBondContact O-N 3.26Å; Y625-K629 PolarHBondContact O-N 3.33Å; Y625-N650 HydrophobicContact CD2-CB 3.96Å; Y625-N650 HydrophobicContact CE1-CB 4.19Å; Y625-N650 WeakPolarHBondContact CE1-ND2 3.46Å; Y625-N650 HydrophobicContact CE2-CB 3.5Å; Y625-N650 VanDerWaalsContact CE2-CB 3.5Å; Y625-N650 HydrophobicContact CG-CB 4.46Å; Y625-D653 WeakPolarHBondContact OH-CB 3.47Å; Y625-D653 PolarHBondContact OH-OD2 3.22Å; Y625-K656 HydrophobicContact CE2-CB 4.39Å; Y625-K656 VanDerWaalsContact CE2-O 3.25Å; Y625-K656 WeakPolarHBondContact CE2-O 3.42Å; Y625-P658 HydrophobicContact CD2-CG 4.44Å; Y625-Q661 HydrophobicContact CD1-CG 4.21Å; Y625-Q661 HydrophobicContact CD2-CG 3.89Å; Y625-Q661 HydrophobicContact CE1-CG 3.71Å; Y625-Q661 HydrophobicContact CE2-CG 3.34Å; Y625-Q661 HydrophobicContact CG-CG 4.29Å; Y625-Q661 PolarHBondContact OH-NE2 2.85Å
626K91.2Very high87.5Confident121 Ų12159.3 Ų59.353%0.52629%0.291SS..Hα-helixtrans-65.6-41.6179.3-69.4178.8-177.9175.20111.6M618 T622 L623 S628 K629 A630M618-K626 HydrophobicContact CE-CD 4.21Å; M618-K626 HydrophobicContact SD-CD 3.94Å; M618-K626 PolarHBondContact SD-NZ 3.26Å; T622-K626 HydrophobicContact CG2-CD 4.28Å; T622-K626 PolarHBondContact O-N 3.44Å; L623-K626 PolarHBondContact O-N 2.76Å; K626-S628 VanDerWaalsContact C-N 3.3Å; K626-S628 PolarHBondContact O-N 3.48Å; K626-K629 PolarHBondContact O-N 3.45Å; K626-A630 WeakPolarHBondContact O-CB 3.17Å; K626-A630 PolarHBondContact O-N 3.08Å; K626-A630 VanDerWaalsContact O-N 3.09Å
627A93.7Very high89.7Confident7 Ų750.5 Ų50.56%0.05826%0.258CS..Hα-helixtrans-64.8-33.317900000112.7L623 L624 A630 R631 N632 V635 M636L623-A627 WeakPolarHBondContact O-CB 3.42Å; L623-A627 PolarHBondContact O-N 3.39Å; L624-A627 PolarHBondContact O-N 3.07Å; A627-A630 CarbonylContact O-C 3.52Å; A627-A630 PolarHBondContact O-N 3.34Å; A627-R631 PolarHBondContact O-N 3.49Å; A627-N632 PolarHBondContact O-N 2.9Å; A627-V635 HydrophobicContact CB-CB 4.06Å; A627-V635 HydrophobicContact CB-CG1 3.72Å; A627-M636 HydrophobicContact CB-CG 3.7Å
628S94.7Very high91.4Very high0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-62.6-45.1176.3-620000111.8L624 Y625 K626 R631 M636 P658L624-S628 WeakPolarHBondContact O-CB 3.23Å; L624-S628 PolarHBondContact O-N 3.2Å; L624-S628 PolarHBondContact O-OG 2.87Å; Y625-S628 PolarHBondContact O-N 3.26Å; K626-S628 VanDerWaalsContact C-N 3.3Å; K626-S628 PolarHBondContact O-N 3.48Å; S628-R631 PolarHBondContact O-N 3.36Å; S628-M636 WeakPolarHBondContact OG-CE 3.36Å; S628-P658 VanDerWaalsContact CB-O 3.28Å; S628-P658 WeakPolarHBondContact CB-O 3.48Å
629K93Very high92.6Very high109 Ų10940.4 Ų40.447%0.47421%0.21SC..Hα-helixtrans-65.1-40.1174.1-164.1-178.5-167.4164.60112Y625 K626 R631 Q661Y625-K629 PolarHBondContact O-N 3.33Å; K626-K629 PolarHBondContact O-N 3.45Å; K629-R631 PolarHBondContact O-N 3.15Å; K629-Q661 HydrophobicContact CB-CB 4.18Å; K629-Q661 VanDerWaalsContact CD-OE1 3.28Å
630A91.6Very high93Very high73 Ų7337.4 Ų37.460%0.60319%0.194SC*.Hα-helixtrans-75.2-6.8179.700000114.3K626 A627 N632K626-A630 WeakPolarHBondContact O-CB 3.17Å; K626-A630 PolarHBondContact O-N 3.08Å; K626-A630 VanDerWaalsContact O-N 3.09Å; A627-A630 CarbonylContact O-C 3.52Å; A627-A630 PolarHBondContact O-N 3.34Å; A630-N632 VanDerWaalsContact C-N 3.32Å; A630-N632 PolarHBondContact O-N 3.36Å
631R93.3Very high93.2Very high145 Ų14536 Ų3655%0.54719%0.185SC..THydrogen-bonded Turntrans6430.8-179.7-37.9177.6179.5172.6-1.1113.7A627 S628 K629 G665A627-R631 PolarHBondContact O-N 3.49Å; S628-R631 PolarHBondContact O-N 3.36Å; K629-R631 PolarHBondContact O-N 3.15Å; R631-G665 PolarHBondContact NE-O 2.92Å; R631-G665 PolarHBondContact NH2-O 3.49Å
632N93.4Very high93.3Very high68 Ų6838.4 Ų38.436%0.36420%0.196SC..  trans-99.587.7-174.7-170.4-24.3000111.5A627 A630 P634 V635 M636A627-N632 PolarHBondContact O-N 2.9Å; A630-N632 VanDerWaalsContact C-N 3.32Å; A630-N632 PolarHBondContact O-N 3.36Å; N632-P634 VanDerWaalsContact OD1-CD 3.32Å; N632-P634 WeakPolarHBondContact OD1-CD 3.5Å; N632-V635 HydrophobicContact CB-CB 4.3Å; N632-V635 HydrophobicContact CB-CG2 4.48Å; N632-V635 VanDerWaalsContact ND2-CG2 3.35Å; N632-V635 WeakPolarHBondContact ND2-CG2 3.33Å; N632-V635 PolarHBondContact O-N 3.33Å; N632-V635 WeakPolarHBondContact OD1-CG2 3.25Å; N632-V635 PolarHBondContact OD1-N 3.34Å; N632-M636 VanDerWaalsContact O-CG 3.24Å; N632-M636 WeakPolarHBondContact O-CG 3.27Å; N632-M636 PolarHBondContact O-N 3.2Å
633L94.3Very high93.3Very high3 Ų338.6 Ų38.62%0.01621%0.207CC..Hα-helixtrans-59.6-43-177.2-69.6179.5000114.8L475 E478 L479 V635 M636 A637 V669 A670 F673L475-L633 HydrophobicContact CD1-CD1 3.75Å; L475-L633 HydrophobicContact CD1-CD2 4.37Å; E478-L633 HydrophobicContact CB-CD1 3.6Å; E478-L633 HydrophobicContact CG-CD1 4.45Å; E478-L633 VanDerWaalsContact OE2-CD1 3.24Å; E478-L633 WeakPolarHBondContact OE2-CD1 3.12Å; L479-L633 HydrophobicContact CD2-CB 3.91Å; L479-L633 HydrophobicContact CG-CB 4.3Å; L479-L633 HydrophobicContact CG-CD1 4.37Å; L633-V635 VanDerWaalsContact C-N 3.33Å; L633-V635 PolarHBondContact O-N 3.01Å; L633-M636 HydrophobicContact CD2-CE 4.42Å; L633-M636 HydrophobicContact CD2-SD 3.92Å; L633-M636 PolarHBondContact O-N 3.09Å; L633-A637 WeakPolarHBondContact O-CB 3.29Å; L633-A637 PolarHBondContact O-N 3.49Å; L633-V669 HydrophobicContact CD1-CB 4.5Å; L633-V669 HydrophobicContact CD1-CG1 3.58Å; L633-A670 HydrophobicContact CD2-CB 4.35Å; L633-F673 HydrophobicContact CD2-CB 3.7Å; L633-F673 HydrophobicContact CD2-CD1 4.09Å; L633-F673 HydrophobicContact CD2-CG 3.89Å
634P94.1Very high93.4Very high37 Ų3737.7 Ų37.724%0.2420%0.204CC..Hα-helixtrans-55.1-45.2174.6-29.235.4000113.5V483 N632 A637 E638V483-P634 HydrophobicContact CG1-CB 3.83Å; V483-P634 HydrophobicContact CG1-CG 4.09Å; N632-P634 VanDerWaalsContact OD1-CD 3.32Å; N632-P634 WeakPolarHBondContact OD1-CD 3.5Å; P634-A637 PolarHBondContact O-N 2.87Å; P634-E638 PolarHBondContact O-N 3.42Å
635V93Very high93.4Very high34 Ų3442 Ų4221%0.20623%0.227CC..Hα-helixtrans-70.3-35.5179.1177.10000111.4L623 A627 N632 L633 A637 E638 A639L623-V635 HydrophobicContact CD1-CG1 3.61Å; L623-V635 HydrophobicContact CD2-CG1 4.17Å; L623-V635 HydrophobicContact CG-CG1 3.81Å; A627-V635 HydrophobicContact CB-CB 4.06Å; A627-V635 HydrophobicContact CB-CG1 3.72Å; N632-V635 HydrophobicContact CB-CB 4.3Å; N632-V635 HydrophobicContact CB-CG2 4.48Å; N632-V635 VanDerWaalsContact ND2-CG2 3.35Å; N632-V635 WeakPolarHBondContact ND2-CG2 3.33Å; N632-V635 PolarHBondContact O-N 3.33Å; N632-V635 WeakPolarHBondContact OD1-CG2 3.25Å; N632-V635 PolarHBondContact OD1-N 3.34Å; L633-V635 VanDerWaalsContact C-N 3.33Å; L633-V635 PolarHBondContact O-N 3.01Å; V635-A637 VanDerWaalsContact C-N 3.33Å; V635-A637 PolarHBondContact O-N 3.44Å; V635-E638 PolarHBondContact O-N 2.99Å; V635-A639 WeakPolarHBondContact O-CB 3.48Å; V635-A639 PolarHBondContact O-N 3.42Å
636M95.4Very high93.5Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-62.2-40.7171.8-65.7166.770.700111.5L624 A627 S628 N632 L633 A639 L640 A670 F673 L674L624-M636 HydrophobicContact CD1-CB 3.74Å; L624-M636 HydrophobicContact CD1-CE 4.5Å; L624-M636 HydrophobicContact CD1-CG 3.98Å; A627-M636 HydrophobicContact CB-CG 3.7Å; S628-M636 WeakPolarHBondContact OG-CE 3.36Å; N632-M636 VanDerWaalsContact O-CG 3.24Å; N632-M636 WeakPolarHBondContact O-CG 3.27Å; N632-M636 PolarHBondContact O-N 3.2Å; L633-M636 HydrophobicContact CD2-CE 4.42Å; L633-M636 HydrophobicContact CD2-SD 3.92Å; L633-M636 PolarHBondContact O-N 3.09Å; M636-A639 PolarHBondContact O-N 3.46Å; M636-L640 WeakPolarHBondContact O-CG 3.33Å; M636-L640 PolarHBondContact O-N 3.1Å; M636-L640 VanDerWaalsContact O-N 3.09Å; M636-A670 HydrophobicContact CE-CB 3.97Å; M636-A670 HydrophobicContact SD-CB 4.06Å; M636-F673 HydrophobicContact CB-CD1 4.21Å; M636-F673 HydrophobicContact CB-CE1 3.83Å; M636-F673 HydrophobicContact CE-CD1 3.87Å; M636-L674 HydrophobicContact CE-CD1 3.82Å; M636-L674 HydrophobicContact CE-CD2 3.8Å; M636-L674 HydrophobicContact CE-CG 3.58Å
637A94.8Very high93.7Very high4 Ų437.9 Ų37.93%0.03321%0.212CC..Hα-helixtrans-67.3-38.1176.400000112.4I484 I487 L633 P634 V635 A641 F673I484-A637 HydrophobicContact CD1-CB 4.12Å; I487-A637 HydrophobicContact CD1-CB 3.92Å; L633-A637 WeakPolarHBondContact O-CB 3.29Å; L633-A637 PolarHBondContact O-N 3.49Å; P634-A637 PolarHBondContact O-N 2.87Å; V635-A637 VanDerWaalsContact C-N 3.33Å; V635-A637 PolarHBondContact O-N 3.44Å; A637-A641 WeakPolarHBondContact O-CB 3.31Å; A637-A641 PolarHBondContact O-N 3.05Å; A637-F673 HydrophobicContact CB-CZ 3.9Å
638E92.9Very high93.7Very high34 Ų3440.9 Ų40.916%0.15923%0.227CC..Hα-helixtrans-64.2-45.6173.7-175175.1-161.100111.2I487 L526 T529 P634 V635 L640 A641 H642I487-E638 HydrophobicContact CD1-CB 4.2Å; I487-E638 HydrophobicContact CG1-CB 4.28Å; I487-E638 HydrophobicContact CG2-CB 4.29Å; I487-E638 HydrophobicContact CG2-CG 4.44Å; L526-E638 HydrophobicContact CD1-CG 4.4Å; T529-E638 PolarHBondContact OG1-OE1 2.99Å; P634-E638 PolarHBondContact O-N 3.42Å; V635-E638 PolarHBondContact O-N 2.99Å; E638-L640 PolarHBondContact O-N 3.31Å; E638-A641 WeakPolarHBondContact O-CB 3.48Å; E638-A641 PolarHBondContact O-N 2.78Å; E638-A641 VanDerWaalsContact O-N 3.15Å; E638-H642 PolarHBondContact O-CD2 2.71Å; E638-H642 VanDerWaalsContact O-CD2 3.27Å; E638-H642 PolarHBondContact O-N 2.73Å
639A93.8Very high93.6Very high0 Ų042.5 Ų42.50%024%0.241CC..Hα-helixtrans-58.6-45.5176.400000112.2L623 L624 V635 M636 H642 G643 A644L623-A639 HydrophobicContact CB-CB 4.29Å; L623-A639 HydrophobicContact CD2-CB 4.08Å; L623-A639 HydrophobicContact CG-CB 4.15Å; L624-A639 HydrophobicContact CB-CB 3.79Å; L624-A639 HydrophobicContact CD1-CB 4.36Å; V635-A639 WeakPolarHBondContact O-CB 3.48Å; V635-A639 PolarHBondContact O-N 3.42Å; M636-A639 PolarHBondContact O-N 3.46Å; A639-H642 CarbonylContact O-C 3.48Å; A639-H642 WeakPolarHBondContact O-CA 3.4Å; A639-H642 PolarHBondContact O-N 3.47Å; A639-H642 VanDerWaalsContact O-N 3.15Å; A639-G643 PolarHBondContact O-N 3.18Å; A639-A644 HydrophobicContact CB-CB 4.06Å; A639-A644 WeakPolarHBondContact O-CB 3.27Å; A639-A644 PolarHBondContact O-N 3.41Å
640L94.3Very high93.4Very high25 Ų2539 Ų3913%0.13123%0.227CC..Hα-helixtrans-65.9-37175.2-70176.8000112.5K520 L624 M636 E638 H642 G643 A644 V646 F673 N677K520-L640 PolarHBondContact NZ-O 3.28Å; L624-L640 HydrophobicContact CD1-CG 4.27Å; L624-L640 HydrophobicContact CD2-CD2 3.71Å; L624-L640 HydrophobicContact CD2-CG 4.3Å; M636-L640 WeakPolarHBondContact O-CG 3.33Å; M636-L640 PolarHBondContact O-N 3.1Å; M636-L640 VanDerWaalsContact O-N 3.09Å; E638-L640 PolarHBondContact O-N 3.31Å; L640-H642 PolarHBondContact O-N 3.48Å; L640-G643 PolarHBondContact O-N 3.04Å; L640-A644 HydrophobicContact CD2-CB 4.47Å; L640-V646 HydrophobicContact CD2-CB 4.21Å; L640-V646 HydrophobicContact CD2-CG2 4.47Å; L640-F673 HydrophobicContact CD1-CE1 3.56Å; L640-F673 HydrophobicContact CD1-CZ 3.81Å; L640-N677 HydrophobicContact CD1-CB 3.79Å
641A93.1Very high93.2Very high0 Ų042.6 Ų42.60%024%0.236CC..Hα-helixtrans-59.1-40.717200000110.5I487 Y488 K520 L523 A637 E638 G643I487-A641 HydrophobicContact CG2-CB 3.59Å; Y488-A641 HydrophobicContact CD2-CB 4.41Å; Y488-A641 HydrophobicContact CE1-CB 3.91Å; Y488-A641 HydrophobicContact CE2-CB 3.71Å; Y488-A641 VanDerWaalsContact CZ-CB 3.43Å; Y488-A641 WeakPolarHBondContact OH-CA 3.48Å; Y488-A641 WeakPolarHBondContact OH-CB 3.25Å; K520-A641 WeakPolarHBondContact CD-O 3.5Å; K520-A641 WeakPolarHBondContact CE-O 3.24Å; K520-A641 PolarHBondContact NZ-O 3.14Å; L523-A641 HydrophobicContact CD1-CB 4.08Å; L523-A641 WeakPolarHBondContact CD1-O 3.37Å; L523-A641 HydrophobicContact CD2-CB 3.99Å; A637-A641 WeakPolarHBondContact O-CB 3.31Å; A637-A641 PolarHBondContact O-N 3.05Å; E638-A641 WeakPolarHBondContact O-CB 3.48Å; E638-A641 PolarHBondContact O-N 2.78Å; E638-A641 VanDerWaalsContact O-N 3.15Å; A641-G643 PolarHBondContact O-N 3.23Å
642H92.4Very high92.8Very high51 Ų5144.5 Ų44.524%0.23625%0.251CS..THydrogen-bonded Turntrans-75.42174.3-79.6-69.8000115.5K524 L526 P620 E638 A639 L640K524-H642 PolarHBondContact O-CE1 3.45Å; K524-H642 PolarHBondContact O-NE2 3.13Å; L526-H642 HydrophobicContact CD1-CB 4.4Å; P620-H642 HydrophobicContact CB-CB 4.1Å; P620-H642 HydrophobicContact CG-CB 3.95Å; E638-H642 PolarHBondContact O-CD2 2.71Å; E638-H642 VanDerWaalsContact O-CD2 3.27Å; E638-H642 PolarHBondContact O-N 2.73Å; A639-H642 CarbonylContact O-C 3.48Å; A639-H642 WeakPolarHBondContact O-CA 3.4Å; A639-H642 PolarHBondContact O-N 3.47Å; A639-H642 VanDerWaalsContact O-N 3.15Å; L640-H642 PolarHBondContact O-N 3.48Å
643G91.7Very high92.6Very high51 Ų5143.5 Ų43.553%0.52625%0.246SC..THydrogen-bonded Turntrans88.721.2173.900000114.4A639 L640 A641 D645A639-G643 PolarHBondContact O-N 3.18Å; L640-G643 PolarHBondContact O-N 3.04Å; A641-G643 PolarHBondContact O-N 3.23Å; G643-D645 PolarHBondContact O-N 2.91Å
644A94Very high92.3Very high11 Ų1146.8 Ų46.89%0.09126%0.261CS..  trans-52.7131.3168.200000110.7P620 L624 A639 L640 V646P620-A644 HydrophobicContact CB-CB 3.82Å; P620-A644 VanDerWaalsContact O-CB 3.29Å; P620-A644 WeakPolarHBondContact O-CB 3.21Å; L624-A644 HydrophobicContact CB-CB 3.95Å; L624-A644 HydrophobicContact CD2-CB 3.96Å; A639-A644 HydrophobicContact CB-CB 4.06Å; A639-A644 WeakPolarHBondContact O-CB 3.27Å; A639-A644 PolarHBondContact O-N 3.41Å; L640-A644 HydrophobicContact CD2-CB 4.47Å; A644-V646 PolarHBondContact O-N 3.14Å
645D94.3Very high92.1Very high90 Ų9045.6 Ų45.648%0.48126%0.256SS..  trans-72.6120.6169.3-178.41.9000109.1G643 N647 L648G643-D645 PolarHBondContact O-N 2.91Å; D645-N647 PolarHBondContact O-N 3.01Å; D645-N647 PolarHBondContact OD1-N 2.99Å; D645-L648 HydrophobicContact CB-CB 4.2Å; D645-L648 WeakPolarHBondContact O-CB 3.24Å; D645-L648 PolarHBondContact O-N 2.87Å
646V95.2Very high92.1Very high13 Ų1345.4 Ų45.48%0.07925%0.252CS..THydrogen-bonded Turntrans-62.4-23.1-179.173.30000112.5L640 A644 L674 N677 A679L640-V646 HydrophobicContact CD2-CB 4.21Å; L640-V646 HydrophobicContact CD2-CG2 4.47Å; A644-V646 PolarHBondContact O-N 3.14Å; V646-L674 HydrophobicContact CG2-CB 4.44Å; V646-L674 HydrophobicContact CG2-CD2 3.73Å; V646-N677 HydrophobicContact CG2-CB 4.47Å; V646-A679 HydrophobicContact CG2-CB 3.86Å
647N95.5Very high92.1Very high40 Ų4045.5 Ų45.521%0.21425%0.252CS..THydrogen-bonded Turntrans-108.512.3-176-70.7-38.8000113D645 A649 A678 A679 D680 Q683D645-N647 PolarHBondContact O-N 3.01Å; D645-N647 PolarHBondContact OD1-N 2.99Å; N647-A649 PolarHBondContact O-N 2.85Å; N647-A678 PolarHBondContact ND2-O 3.33Å; N647-A679 VanDerWaalsContact OD1-CA 3.29Å; N647-A679 WeakPolarHBondContact OD1-CA 3.46Å; N647-D680 PolarHBondContact OD1-N 3.02Å; N647-Q683 PolarHBondContact O-NE2 3.44Å; N647-Q683 PolarHBondContact O-OE1 3.07Å; N647-Q683 PolarHBondContact OD1-OE1 3.31Å
648L93.4Very high92.2Very high70 Ų7045.3 Ų45.337%0.36625%0.251SS..  trans-60.2114.1-179.7-174.765.6000110.9D645 P658D645-L648 HydrophobicContact CB-CB 4.2Å; D645-L648 WeakPolarHBondContact O-CB 3.24Å; D645-L648 PolarHBondContact O-N 2.87Å; L648-P658 VanDerWaalsContact O-CD 3.27Å; L648-P658 WeakPolarHBondContact O-CD 3.4Å
649A91.2Very high92.4Very high35 Ų3543.7 Ų43.729%0.28924%0.243SC..  trans-75.8131.217300000109.5N647N647-A649 PolarHBondContact O-N 2.85Å
650N90.1Very high92.5Very high34 Ų3443.7 Ų43.718%0.18224%0.243CC..BIsolated β-bridgetrans-89.7107.9174.6-173.7-23000109.7Y625 E652 D653 G655 K656Y625-N650 HydrophobicContact CD2-CB 3.96Å; Y625-N650 HydrophobicContact CE1-CB 4.19Å; Y625-N650 WeakPolarHBondContact CE1-ND2 3.46Å; Y625-N650 HydrophobicContact CE2-CB 3.5Å; Y625-N650 VanDerWaalsContact CE2-CB 3.5Å; Y625-N650 HydrophobicContact CG-CB 4.46Å; N650-E652 PolarHBondContact O-N 2.98Å; N650-E652 WeakPolarHBondContact OD1-CB 3.07Å; N650-E652 PolarHBondContact OD1-N 3.45Å; N650-D653 CarbonylContact O-C 3.54Å; N650-D653 PolarHBondContact O-N 2.59Å; N650-G655 VanDerWaalsContact O-CA 3.23Å; N650-G655 WeakPolarHBondContact O-CA 3.48Å; N650-G655 PolarHBondContact O-N 3.05Å; N650-K656 PolarHBondContact N-O 3.07Å
651D87Confident92.5Very high149 Ų14942.6 Ų42.680%0.79724%0.237SC*.G310 helixtrans-62.8-27-179.4-65.6-30.6000113
652E85.3Confident92.7Very high186 Ų18642.6 Ų42.687%0.86924%0.237SC*.G310 helixtrans-75.6-21.8178.9-56.3-179.316300113.1N650N650-E652 PolarHBondContact O-N 2.98Å; N650-E652 WeakPolarHBondContact OD1-CB 3.07Å; N650-E652 PolarHBondContact OD1-N 3.45Å
653D87.9Confident92.9Very high47 Ų4740.1 Ų40.125%0.25123%0.226SC..G310 helixtrans-12258.1178.7-172.713.9000110.3Y625 N650 G655 K656 Q661Y625-D653 WeakPolarHBondContact OH-CB 3.47Å; Y625-D653 PolarHBondContact OH-OD2 3.22Å; N650-D653 CarbonylContact O-C 3.54Å; N650-D653 PolarHBondContact O-N 2.59Å; D653-G655 VanDerWaalsContact C-N 3.27Å; D653-G655 PolarHBondContact O-N 3.2Å; D653-K656 WeakPolarHBondContact O-CB 3.34Å; D653-K656 VanDerWaalsContact O-CG 3.22Å; D653-K656 WeakPolarHBondContact O-CG 3.26Å; D653-K656 PolarHBondContact O-N 3.11Å; D653-K656 VanDerWaalsContact O-N 3.09Å; D653-K656 IonicContact OD1-NZ 2.76Å; D653-K656 PolarHBondContact OD1-NZ 3.32Å; D653-K656 IonicContact OD2-NZ 2.75Å; D653-Q661 PolarHBondContact OD2-NE2 2.97Å
654E88.4Confident93Very high71 Ų7140.3 Ų40.333%0.33222%0.217SC..THydrogen-bonded Turntrans54.636.2173-53.9-176.2158.800113.6K656 D685 G686 R687 R689E654-K656 PolarHBondContact O-N 3.19Å; E654-D685 WeakPolarHBondContact O-CB 3.36Å; E654-G686 WeakPolarHBondContact O-CA 3.19Å; E654-G686 PolarHBondContact O-N 3.44Å; E654-R687 VanDerWaalsContact CD-NE 3.31Å; E654-R687 IonicContact OE1-CZ 3.63Å; E654-R687 VanDerWaalsContact OE1-CZ 3.29Å; E654-R687 IonicContact OE1-NE 3.1Å; E654-R687 PolarHBondContact OE1-NE 2.89Å; E654-R687 VanDerWaalsContact OE1-NE 3.08Å; E654-R687 IonicContact OE1-NH2 2.86Å; E654-R687 PolarHBondContact OE1-NH2 3.09Å; E654-R687 IonicContact OE2-CZ 3.48Å; E654-R687 IonicContact OE2-NE 2.65Å; E654-R687 PolarHBondContact OE2-NE 3.47Å; E654-R687 IonicContact OE2-NH2 3.57Å; E654-R689 IonicContact OE2-CZ 3.34Å; E654-R689 IonicContact OE2-NH2 2.68Å; E654-R689 PolarHBondContact OE2-NH2 3.5Å
655G90Very high92.8Very high12 Ų1240.2 Ų40.212%0.12422%0.217CC..THydrogen-bonded Turntrans67.417.617900000114.6N650 D653N650-G655 VanDerWaalsContact O-CA 3.23Å; N650-G655 WeakPolarHBondContact O-CA 3.48Å; N650-G655 PolarHBondContact O-N 3.05Å; D653-G655 VanDerWaalsContact C-N 3.27Å; D653-G655 PolarHBondContact O-N 3.2Å
656K93.1Very high92.6Very high31 Ų3137.2 Ų37.214%0.13521%0.208CC..BIsolated β-bridgetrans-64.5146.8177.6-70.1172.6-1671490110.9Y625 N650 D653 E654 I660 D685Y625-K656 HydrophobicContact CE2-CB 4.39Å; Y625-K656 VanDerWaalsContact CE2-O 3.25Å; Y625-K656 WeakPolarHBondContact CE2-O 3.42Å; N650-K656 PolarHBondContact N-O 3.07Å; D653-K656 WeakPolarHBondContact O-CB 3.34Å; D653-K656 VanDerWaalsContact O-CG 3.22Å; D653-K656 WeakPolarHBondContact O-CG 3.26Å; D653-K656 PolarHBondContact O-N 3.11Å; D653-K656 VanDerWaalsContact O-N 3.09Å; D653-K656 IonicContact OD1-NZ 2.76Å; D653-K656 PolarHBondContact OD1-NZ 3.32Å; D653-K656 IonicContact OD2-NZ 2.75Å; E654-K656 PolarHBondContact O-N 3.19Å; K656-I660 HydrophobicContact CB-CB 4.29Å; K656-I660 HydrophobicContact CB-CG2 4.08Å; K656-I660 HydrophobicContact CD-CG2 4.04Å; K656-I660 HydrophobicContact CG-CG2 3.85Å; K656-D685 HydrophobicContact CG-CB 3.99Å
657T95.9Very high92.5Very high1 Ų137.2 Ų37.21%0.00621%0.208CC..  trans-97.1165.7177.461.20000111.5L659 I660 Q661 Q683T657-L659 PolarHBondContact O-N 2.91Å; T657-I660 PolarHBondContact O-N 2.92Å; T657-I660 VanDerWaalsContact O-N 3.07Å; T657-I660 PolarHBondContact OG1-N 2.91Å; T657-Q661 PolarHBondContact O-N 3.09Å; T657-Q683 HydrophobicContact CG2-CB 4.34Å; T657-Q683 HydrophobicContact CG2-CG 3.78Å
658P96.4Very high92.5Very high0 Ų036.2 Ų36.20%020%0.203CC..Hα-helixtrans-52.7-35.9170.4-29.235.8000113.1L624 Y625 S628 L648 Q661 A662 L674L624-P658 HydrophobicContact CD2-CB 4.34Å; L624-P658 HydrophobicContact CD2-CG 4.12Å; L624-P658 HydrophobicContact CG-CB 4.11Å; L624-P658 HydrophobicContact CG-CG 4.15Å; Y625-P658 HydrophobicContact CD2-CG 4.44Å; S628-P658 VanDerWaalsContact CB-O 3.28Å; S628-P658 WeakPolarHBondContact CB-O 3.48Å; L648-P658 VanDerWaalsContact O-CD 3.27Å; L648-P658 WeakPolarHBondContact O-CD 3.4Å; P658-Q661 PolarHBondContact O-N 3.28Å; P658-A662 PolarHBondContact O-N 3.2Å; P658-L674 HydrophobicContact CB-CD1 4.15Å; P658-L674 HydrophobicContact CB-CD2 4.2Å; P658-L674 WeakPolarHBondContact O-CD1 3.4Å
659L97.3Very high92.5Very high0 Ų033.1 Ų33.10%019%0.186CC..Hα-helixtrans-64.8-42.9176.9-172.959.5000111.8T657 Q661 A662 V663 C671 L674 L675 A679 P691 F707T657-L659 PolarHBondContact O-N 2.91Å; L659-Q661 VanDerWaalsContact C-N 3.32Å; L659-Q661 PolarHBondContact O-N 3.35Å; L659-A662 WeakPolarHBondContact O-CB 3.24Å; L659-A662 PolarHBondContact O-N 3.2Å; L659-V663 WeakPolarHBondContact O-CG2 3.16Å; L659-V663 PolarHBondContact O-N 3.07Å; L659-V663 VanDerWaalsContact O-N 3.08Å; L659-C671 HydrophobicContact CD1-CB 4.07Å; L659-L674 HydrophobicContact CB-CD1 4.33Å; L659-L674 HydrophobicContact CD1-CB 4.07Å; L659-L674 HydrophobicContact CD1-CD1 4.21Å; L659-L675 HydrophobicContact CD1-CG 4.3Å; L659-L675 HydrophobicContact CD2-CD2 4.03Å; L659-A679 HydrophobicContact CB-CB 4.32Å; L659-A679 HydrophobicContact CD2-CB 4.04Å; L659-P691 HydrophobicContact CD2-CB 4.21Å; L659-P691 HydrophobicContact CD2-CG 3.79Å; L659-P691 HydrophobicContact CG-CB 4.28Å; L659-P691 HydrophobicContact CG-CG 4.1Å; L659-F707 HydrophobicContact CD1-CE1 3.98Å; L659-F707 HydrophobicContact CD1-CZ 4.22Å; L659-F707 HydrophobicContact CD2-CE1 4.28Å; L659-F707 HydrophobicContact CG-CE1 4.29Å; L659-F707 HydrophobicContact CG-CZ 4.37Å
660I95.9Very high92.8Very high0 Ų031.4 Ų31.40%017%0.173CC..Hα-helixtrans-66-35.4174.7-65.1170.9000111.2K656 T657 V663 T664 D685 P691 H694K656-I660 HydrophobicContact CB-CB 4.29Å; K656-I660 HydrophobicContact CB-CG2 4.08Å; K656-I660 HydrophobicContact CD-CG2 4.04Å; K656-I660 HydrophobicContact CG-CG2 3.85Å; T657-I660 PolarHBondContact O-N 2.92Å; T657-I660 VanDerWaalsContact O-N 3.07Å; T657-I660 PolarHBondContact OG1-N 2.91Å; I660-V663 WeakPolarHBondContact O-CB 3.18Å; I660-V663 PolarHBondContact O-N 3.28Å; I660-T664 PolarHBondContact O-N 3.35Å; I660-T664 PolarHBondContact O-OG1 3.37Å; I660-D685 HydrophobicContact CD1-CB 4.04Å; I660-P691 HydrophobicContact CG1-CG 4.05Å; I660-H694 HydrophobicContact CG2-CB 4.47Å
661Q95.1Very high93.1Very high2 Ų229.8 Ų29.81%0.00916%0.164CC..Hα-helixtrans-68.7-35.5173.7-72.9-56.4-34.300112.9Y625 K629 D653 T657 P658 L659 V663 T664 G665Y625-Q661 HydrophobicContact CD1-CG 4.21Å; Y625-Q661 HydrophobicContact CD2-CG 3.89Å; Y625-Q661 HydrophobicContact CE1-CG 3.71Å; Y625-Q661 HydrophobicContact CE2-CG 3.34Å; Y625-Q661 HydrophobicContact CG-CG 4.29Å; Y625-Q661 PolarHBondContact OH-NE2 2.85Å; K629-Q661 HydrophobicContact CB-CB 4.18Å; K629-Q661 VanDerWaalsContact CD-OE1 3.28Å; D653-Q661 PolarHBondContact OD2-NE2 2.97Å; T657-Q661 PolarHBondContact O-N 3.09Å; P658-Q661 PolarHBondContact O-N 3.28Å; L659-Q661 VanDerWaalsContact C-N 3.32Å; L659-Q661 PolarHBondContact O-N 3.35Å; Q661-V663 VanDerWaalsContact C-N 3.27Å; Q661-V663 PolarHBondContact O-N 3.37Å; Q661-T664 PolarHBondContact O-N 3.46Å; Q661-G665 PolarHBondContact O-N 3.26Å
662A96.3Very high93.5Very high0 Ų022.9 Ų22.90%013%0.127CC..Hα-helixtrans-63.8-34.1171.800000112.1P658 L659 G665 G666 S667 A670 L674 Q703P658-A662 PolarHBondContact O-N 3.2Å; L659-A662 WeakPolarHBondContact O-CB 3.24Å; L659-A662 PolarHBondContact O-N 3.2Å; A662-G665 CarbonylContact O-C 3.58Å; A662-G666 PolarHBondContact O-N 3.09Å; A662-S667 PolarHBondContact O-N 3.28Å; A662-S667 VanDerWaalsContact O-N 3.14Å; A662-A670 HydrophobicContact CB-CB 3.86Å; A662-L674 HydrophobicContact CB-CD1 3.9Å; A662-Q703 PolarHBondContact O-NE2 3.42Å
663V96.3Very high94.1Very high0 Ų014.1 Ų14.10%09%0.086CC..Hα-helixtrans-66-49.4172.3173.60000111.4L659 I660 Q661 G665 G666 H694 A695 L698 H700 Q703 F707L659-V663 WeakPolarHBondContact O-CG2 3.16Å; L659-V663 PolarHBondContact O-N 3.07Å; L659-V663 VanDerWaalsContact O-N 3.08Å; I660-V663 WeakPolarHBondContact O-CB 3.18Å; I660-V663 PolarHBondContact O-N 3.28Å; Q661-V663 VanDerWaalsContact C-N 3.27Å; Q661-V663 PolarHBondContact O-N 3.37Å; V663-G665 VanDerWaalsContact C-N 3.26Å; V663-G665 PolarHBondContact O-N 2.65Å; V663-G666 WeakPolarHBondContact O-CA 3.46Å; V663-G666 PolarHBondContact O-N 3.45Å; V663-H694 HydrophobicContact CG1-CB 3.77Å; V663-A695 HydrophobicContact CG1-CB 3.88Å; V663-L698 HydrophobicContact CG1-CD1 4.27Å; V663-H700 PolarHBondContact O-CE1 2.84Å; V663-H700 PolarHBondContact O-ND1 3.43Å; V663-Q703 PolarHBondContact O-OE1 2.64Å; V663-F707 HydrophobicContact CG2-CE2 3.39Å; V663-F707 HydrophobicContact CG2-CZ 3.34Å
664T93.8Very high94.5Very high55 Ų5511.9 Ų11.934%0.3377%0.074SC..Hα-helixtrans-59.3-41.4175.4-57.60000111.2I660 Q661 G666I660-T664 PolarHBondContact O-N 3.35Å; I660-T664 PolarHBondContact O-OG1 3.37Å; Q661-T664 PolarHBondContact O-N 3.46Å; T664-G666 PolarHBondContact O-N 3.06Å
665G89.9Confident94.9Very high8 Ų89.2 Ų9.28%0.0826%0.062CC..Hα-helixtrans-64.1-21.617200000112.4R631 Q661 A662 V663 S667R631-G665 PolarHBondContact NE-O 2.92Å; R631-G665 PolarHBondContact NH2-O 3.49Å; Q661-G665 PolarHBondContact O-N 3.26Å; A662-G665 CarbonylContact O-C 3.58Å; V663-G665 VanDerWaalsContact C-N 3.26Å; V663-G665 PolarHBondContact O-N 2.65Å; G665-S667 VanDerWaalsContact C-N 3.34Å
666G91.3Very high95.2Very high28 Ų289.1 Ų9.129%0.2896%0.058SC..THydrogen-bonded Turntrans73.120.8-179.900000114.4A662 V663 T664 Q703A662-G666 PolarHBondContact O-N 3.09Å; V663-G666 WeakPolarHBondContact O-CA 3.46Å; V663-G666 PolarHBondContact O-N 3.45Å; T664-G666 PolarHBondContact O-N 3.06Å; G666-Q703 VanDerWaalsContact C-NE2 3.33Å
667S93.3Very high95.3Very high12 Ų129.3 Ų9.38%0.0846%0.061CC..  trans-96.8107.9177.8-179.90000111.3A662 G665 V669 A670 C671A662-S667 PolarHBondContact O-N 3.28Å; A662-S667 VanDerWaalsContact O-N 3.14Å; G665-S667 VanDerWaalsContact C-N 3.34Å; S667-V669 PolarHBondContact O-N 2.92Å; S667-A670 PolarHBondContact O-N 2.96Å; S667-A670 WeakPolarHBondContact OG-CB 3.43Å; S667-A670 PolarHBondContact OG-N 3.47Å; S667-A670 VanDerWaalsContact OG-N 3.1Å; S667-C671 PolarHBondContact O-N 3.2Å; S667-C671 PolarHBondContact O-SG 2.73Å
668L93.8Very high95.3Very high20 Ų2012.4 Ų12.411%0.1059%0.087CC..Hα-helixtrans-60.3-37.5173.5-174.962.6000111.7E471 C671 E672 G702 Q703 L706 A775E471-L668 HydrophobicContact CG-CD1 4.23Å; E471-L668 HydrophobicContact CG-CD2 3.56Å; E471-L668 HydrophobicContact CG-CG 3.82Å; L668-C671 PolarHBondContact O-N 3.22Å; L668-E672 PolarHBondContact O-N 3.44Å; L668-G702 WeakPolarHBondContact CD1-O 3.38Å; L668-Q703 HydrophobicContact CD1-CG 4.1Å; L668-L706 HydrophobicContact CD1-CB 3.97Å; L668-L706 HydrophobicContact CD1-CD2 3.75Å; L668-L706 HydrophobicContact CD1-CG 4.49Å; L668-A775 HydrophobicContact CD2-CB 3.81Å
669V94.5Very high95.3Very high4 Ų412.9 Ų12.92%0.0249%0.091CC..Hα-helixtrans-74.1-37.9-176.7-171.80000111.5K474 L475 L633 S667 C671 E672 F673K474-V669 HydrophobicContact CB-CG2 4.05Å; K474-V669 HydrophobicContact CD-CG2 3.53Å; K474-V669 HydrophobicContact CG-CG2 3.63Å; L475-V669 VanDerWaalsContact CA-CG1 3.42Å; L475-V669 HydrophobicContact CB-CG1 3.79Å; L475-V669 HydrophobicContact CD1-CG1 3.87Å; L475-V669 HydrophobicContact CG-CG1 4.48Å; L633-V669 HydrophobicContact CD1-CB 4.5Å; L633-V669 HydrophobicContact CD1-CG1 3.58Å; S667-V669 PolarHBondContact O-N 2.92Å; V669-C671 VanDerWaalsContact C-N 3.33Å; V669-E672 PolarHBondContact O-N 3.32Å; V669-F673 WeakPolarHBondContact O-CB 3.42Å; V669-F673 PolarHBondContact O-N 3.41Å
670A96.4Very high95.2Very high0 Ų016.4 Ų16.40%011%0.109CC..Hα-helixtrans-64.7-38.5173.200000111.6L633 M636 A662 S667 F673 L674L633-A670 HydrophobicContact CD2-CB 4.35Å; M636-A670 HydrophobicContact CE-CB 3.97Å; M636-A670 HydrophobicContact SD-CB 4.06Å; A662-A670 HydrophobicContact CB-CB 3.86Å; S667-A670 PolarHBondContact O-N 2.96Å; S667-A670 WeakPolarHBondContact OG-CB 3.43Å; S667-A670 PolarHBondContact OG-N 3.47Å; S667-A670 VanDerWaalsContact OG-N 3.1Å; A670-F673 PolarHBondContact O-N 3.06Å; A670-L674 VanDerWaalsContact O-CG 3.31Å; A670-L674 WeakPolarHBondContact O-CG 3.47Å; A670-L674 PolarHBondContact O-N 2.95Å; A670-L674 VanDerWaalsContact O-N 3.09Å
671C96.8Very high95.1Very high0 Ų017 Ų170%011%0.113CC..Hα-helixtrans-62.1-48.7173.3-62.10000111L659 S667 L668 V669 F673 L674 L675 L706 F707L659-C671 HydrophobicContact CD1-CB 4.07Å; S667-C671 PolarHBondContact O-N 3.2Å; S667-C671 PolarHBondContact O-SG 2.73Å; L668-C671 PolarHBondContact O-N 3.22Å; V669-C671 VanDerWaalsContact C-N 3.33Å; C671-F673 PolarHBondContact O-N 3.34Å; C671-L674 PolarHBondContact O-N 2.98Å; C671-L675 WeakPolarHBondContact O-CB 3.32Å; C671-L675 WeakPolarHBondContact O-CD1 3.49Å; C671-L675 VanDerWaalsContact O-CG 3.22Å; C671-L675 WeakPolarHBondContact O-CG 3.44Å; C671-L675 PolarHBondContact O-N 3.08Å; C671-L706 HydrophobicContact CB-CD2 3.89Å; C671-F707 HydrophobicContact CB-CE1 4.15Å; C671-F707 HydrophobicContact CB-CZ 4.2Å
672E96.3Very high95.1Very high3 Ų319.7 Ų19.71%0.01413%0.127CC..Hα-helixtrans-59.6-43177.5176.457.1-158.700111.8E471 L472 L475 L668 V669 L674 L675 Q676 L706 R710E471-E672 HydrophobicContact CB-CB 4.48Å; E471-E672 HydrophobicContact CB-CG 4.29Å; L472-E672 HydrophobicContact CD1-CG 4.49Å; L472-E672 WeakPolarHBondContact CD1-OE1 3.46Å; L475-E672 HydrophobicContact CB-CG 4.49Å; L475-E672 HydrophobicContact CD2-CG 4.12Å; L668-E672 PolarHBondContact O-N 3.44Å; V669-E672 PolarHBondContact O-N 3.32Å; E672-L674 PolarHBondContact O-N 2.92Å; E672-L675 PolarHBondContact O-N 2.85Å; E672-Q676 VanDerWaalsContact O-CG 3.27Å; E672-Q676 WeakPolarHBondContact O-CG 3.35Å; E672-Q676 PolarHBondContact O-N 3.1Å; E672-Q676 WeakPolarHBondContact OE1-CG 3.44Å; E672-Q676 PolarHBondContact OE1-NE2 3.48Å; E672-L706 HydrophobicContact CB-CD2 4.2Å; E672-L706 VanDerWaalsContact OE2-CD1 3.32Å; E672-L706 WeakPolarHBondContact OE2-CD1 3.35Å; E672-R710 IonicContact OE1-CZ 3.3Å; E672-R710 IonicContact OE1-NH2 3.43Å; E672-R710 PolarHBondContact OE1-NH2 3.12Å; E672-R710 IonicContact OE2-CZ 3.34Å; E672-R710 IonicContact OE2-NE 3.17Å; E672-R710 IonicContact OE2-NH2 2.7Å; E672-R710 PolarHBondContact OE2-NH2 2.68Å
673F97.1Very high94.9Very high3 Ų321.8 Ų21.81%0.01314%0.137CC..Hα-helixtrans-60.5-46.3177179.5-107.9000113N437 L475 L479 L633 M636 A637 L640 V669 A670 C671 Q676 N677N437-F673 WeakPolarHBondContact O-CE2 3.35Å; L475-F673 HydrophobicContact CD1-CB 3.75Å; L475-F673 HydrophobicContact CD1-CD2 3.81Å; L475-F673 HydrophobicContact CD1-CG 4.17Å; L475-F673 HydrophobicContact CD2-CB 4.15Å; L475-F673 HydrophobicContact CD2-CD2 4.23Å; L479-F673 HydrophobicContact CD1-CD2 3.81Å; L479-F673 HydrophobicContact CD1-CE2 3.64Å; L633-F673 HydrophobicContact CD2-CB 3.7Å; L633-F673 HydrophobicContact CD2-CD1 4.09Å; L633-F673 HydrophobicContact CD2-CG 3.89Å; M636-F673 HydrophobicContact CB-CD1 4.21Å; M636-F673 HydrophobicContact CB-CE1 3.83Å; M636-F673 HydrophobicContact CE-CD1 3.87Å; A637-F673 HydrophobicContact CB-CZ 3.9Å; L640-F673 HydrophobicContact CD1-CE1 3.56Å; L640-F673 HydrophobicContact CD1-CZ 3.81Å; V669-F673 WeakPolarHBondContact O-CB 3.42Å; V669-F673 PolarHBondContact O-N 3.41Å; A670-F673 PolarHBondContact O-N 3.06Å; C671-F673 PolarHBondContact O-N 3.34Å; F673-Q676 PolarHBondContact O-N 3.04Å; F673-N677 WeakPolarHBondContact CE2-ND2 3.29Å; F673-N677 PolarHBondContact O-N 2.8Å; F673-N677 VanDerWaalsContact O-N 3.08Å; F673-N677 PolarHBondContact O-ND2 3.22Å
674L97.2Very high94.7Very high0 Ų026.5 Ų26.50%016%0.155CC..Hα-helixtrans-64.4-42.6178.2-71.4169.6000111.3L624 M636 V646 P658 L659 A662 A670 C671 E672 Q676 N677 A678 A679L624-L674 HydrophobicContact CD1-CD2 4.08Å; L624-L674 HydrophobicContact CD2-CD2 4.36Å; L624-L674 HydrophobicContact CG-CD2 4.45Å; M636-L674 HydrophobicContact CE-CD1 3.82Å; M636-L674 HydrophobicContact CE-CD2 3.8Å; M636-L674 HydrophobicContact CE-CG 3.58Å; V646-L674 HydrophobicContact CG2-CB 4.44Å; V646-L674 HydrophobicContact CG2-CD2 3.73Å; P658-L674 HydrophobicContact CB-CD1 4.15Å; P658-L674 HydrophobicContact CB-CD2 4.2Å; P658-L674 WeakPolarHBondContact O-CD1 3.4Å; L659-L674 HydrophobicContact CB-CD1 4.33Å; L659-L674 HydrophobicContact CD1-CB 4.07Å; L659-L674 HydrophobicContact CD1-CD1 4.21Å; A662-L674 HydrophobicContact CB-CD1 3.9Å; A670-L674 VanDerWaalsContact O-CG 3.31Å; A670-L674 WeakPolarHBondContact O-CG 3.47Å; A670-L674 PolarHBondContact O-N 2.95Å; A670-L674 VanDerWaalsContact O-N 3.09Å; C671-L674 PolarHBondContact O-N 2.98Å; E672-L674 PolarHBondContact O-N 2.92Å; L674-Q676 VanDerWaalsContact C-N 3.33Å; L674-Q676 PolarHBondContact O-N 2.71Å; L674-N677 CarbonylContact O-C 3.47Å; L674-N677 VanDerWaalsContact O-C 3.22Å; L674-N677 WeakPolarHBondContact O-CA 3.39Å; L674-N677 PolarHBondContact O-N 2.84Å; L674-A678 PolarHBondContact O-N 2.99Å; L674-A679 VanDerWaalsContact C-CB 3.49Å; L674-A679 HydrophobicContact CB-CB 3.87Å; L674-A679 VanDerWaalsContact O-CB 3.25Å; L674-A679 WeakPolarHBondContact O-CB 3.35Å; L674-A679 PolarHBondContact O-N 2.88Å
675L96.6Very high94.6Very high15 Ų1524.3 Ų24.38%0.07914%0.141CC..Hα-helixtrans-62.9-38.7175.5-70.5163.1000112L659 C671 E672 N677 A678 V681 L706 F707 R710L659-L675 HydrophobicContact CD1-CG 4.3Å; L659-L675 HydrophobicContact CD2-CD2 4.03Å; C671-L675 WeakPolarHBondContact O-CB 3.32Å; C671-L675 WeakPolarHBondContact O-CD1 3.49Å; C671-L675 VanDerWaalsContact O-CG 3.22Å; C671-L675 WeakPolarHBondContact O-CG 3.44Å; C671-L675 PolarHBondContact O-N 3.08Å; E672-L675 PolarHBondContact O-N 2.85Å; L675-N677 PolarHBondContact O-N 2.86Å; L675-A678 PolarHBondContact O-N 3.26Å; L675-V681 HydrophobicContact CD2-CB 3.94Å; L675-V681 HydrophobicContact CD2-CG2 4.1Å; L675-L706 HydrophobicContact CD1-CD1 4.3Å; L675-L706 HydrophobicContact CD1-CD2 3.88Å; L675-L706 HydrophobicContact CD1-CG 3.93Å; L675-F707 HydrophobicContact CD1-CD1 4.11Å; L675-F707 HydrophobicContact CD1-CE1 4Å; L675-R710 HydrophobicContact CD1-CG 4.01Å; L675-R710 HydrophobicContact CD2-CG 4.46Å
676Q95.4Very high94.5Very high9 Ų926.5 Ų26.54%0.04216%0.164CC..Hα-helixtrans-66.2-24.4172.8-67.4-64.3-4.400112.4N437 K459 L472 L475 E672 F673 L674N437-Q676 HydrophobicContact CB-CB 4.01Å; N437-Q676 WeakPolarHBondContact CB-O 3.46Å; K459-Q676 VanDerWaalsContact CE-O 3.27Å; K459-Q676 WeakPolarHBondContact CE-O 3.2Å; K459-Q676 PolarHBondContact NZ-O 3.41Å; L472-Q676 HydrophobicContact CD1-CG 4.13Å; L475-Q676 HydrophobicContact CD2-CG 4.39Å; E672-Q676 VanDerWaalsContact O-CG 3.27Å; E672-Q676 WeakPolarHBondContact O-CG 3.35Å; E672-Q676 PolarHBondContact O-N 3.1Å; E672-Q676 WeakPolarHBondContact OE1-CG 3.44Å; E672-Q676 PolarHBondContact OE1-NE2 3.48Å; F673-Q676 PolarHBondContact O-N 3.04Å; L674-Q676 VanDerWaalsContact C-N 3.33Å; L674-Q676 PolarHBondContact O-N 2.71Å
677N95.8Very high94.4Very high35 Ų3530.7 Ų30.719%0.18717%0.171CC..THydrogen-bonded Turntrans-97.725.3173.8-72-75.4000113.9N437 L640 V646 F673 L674 L675N437-N677 PolarHBondContact O-ND2 3.46Å; N437-N677 PolarHBondContact O-OD1 3.09Å; L640-N677 HydrophobicContact CD1-CB 3.79Å; V646-N677 HydrophobicContact CG2-CB 4.47Å; F673-N677 WeakPolarHBondContact CE2-ND2 3.29Å; F673-N677 PolarHBondContact O-N 2.8Å; F673-N677 VanDerWaalsContact O-N 3.08Å; F673-N677 PolarHBondContact O-ND2 3.22Å; L674-N677 CarbonylContact O-C 3.47Å; L674-N677 VanDerWaalsContact O-C 3.22Å; L674-N677 WeakPolarHBondContact O-CA 3.39Å; L674-N677 PolarHBondContact O-N 2.84Å; L675-N677 PolarHBondContact O-N 2.86Å
678A95Very high94.1Very high67 Ų6731.1 Ų31.155%0.55418%0.177SC*.THydrogen-bonded Turntrans69.329.4172.500000115.7N647 L674 L675 D680N647-A678 PolarHBondContact ND2-O 3.33Å; L674-A678 PolarHBondContact O-N 2.99Å; L675-A678 PolarHBondContact O-N 3.26Å; A678-D680 PolarHBondContact O-N 3.4Å
679A96.4Very high94Very high10 Ų1031.8 Ų31.88%0.08318%0.178CC..  trans-58.7133.5162.600000110.7V646 N647 L659 L674 V681V646-A679 HydrophobicContact CG2-CB 3.86Å; N647-A679 VanDerWaalsContact OD1-CA 3.29Å; N647-A679 WeakPolarHBondContact OD1-CA 3.46Å; L659-A679 HydrophobicContact CB-CB 4.32Å; L659-A679 HydrophobicContact CD2-CB 4.04Å; L674-A679 VanDerWaalsContact C-CB 3.49Å; L674-A679 HydrophobicContact CB-CB 3.87Å; L674-A679 VanDerWaalsContact O-CB 3.25Å; L674-A679 WeakPolarHBondContact O-CB 3.35Å; L674-A679 PolarHBondContact O-N 2.88Å; A679-V681 PolarHBondContact O-N 3.29Å
680D95.3Very high93.9Very high73 Ų7332.3 Ų32.339%0.3918%0.184SC..  trans-74.9115.6175.3-177.2-0.9000109.5N647 A678 N682 Q683N647-D680 PolarHBondContact OD1-N 3.02Å; A678-D680 PolarHBondContact O-N 3.4Å; D680-N682 PolarHBondContact O-N 3.46Å; D680-N682 PolarHBondContact OD1-N 3.37Å; D680-Q683 HydrophobicContact CB-CB 3.92Å; D680-Q683 PolarHBondContact O-N 2.97Å
681V95.6Very high93.8Very high14 Ų1432.3 Ų32.39%0.08518%0.184CC..THydrogen-bonded Turntrans-66.2-16.6-179.973.30000112.6L675 A679 P691 F707 R710 A712L675-V681 HydrophobicContact CD2-CB 3.94Å; L675-V681 HydrophobicContact CD2-CG2 4.1Å; A679-V681 PolarHBondContact O-N 3.29Å; V681-P691 WeakPolarHBondContact O-CD 3.2Å; V681-P691 WeakPolarHBondContact O-CG 3.45Å; V681-F707 HydrophobicContact CG2-CB 4.01Å; V681-F707 HydrophobicContact CG2-CD1 3.75Å; V681-F707 HydrophobicContact CG2-CG 4.15Å; V681-R710 HydrophobicContact CG2-CB 4.16Å; V681-A712 HydrophobicContact CG2-CB 3.91Å
682N93.7Very high93.7Very high57 Ų5732.6 Ų32.631%0.30519%0.185SC..THydrogen-bonded Turntrans-112.5-0.2-175.9-66-43.7000114D680 R684 G711 A712 A713D680-N682 PolarHBondContact O-N 3.46Å; D680-N682 PolarHBondContact OD1-N 3.37Å; N682-R684 PolarHBondContact O-N 3.48Å; N682-G711 PolarHBondContact ND2-O 2.82Å; N682-A712 VanDerWaalsContact OD1-CA 3.27Å; N682-A712 WeakPolarHBondContact OD1-CA 3.17Å; N682-A713 PolarHBondContact OD1-N 2.95Å
683Q93.5Very high93.6Very high45 Ų4533.7 Ų33.721%0.2119%0.19CC..  trans-65.2124.7-179.9-174.8176.5-0.600110.9N647 T657 D680 P691N647-Q683 PolarHBondContact O-NE2 3.44Å; N647-Q683 PolarHBondContact O-OE1 3.07Å; N647-Q683 PolarHBondContact OD1-OE1 3.31Å; T657-Q683 HydrophobicContact CG2-CB 4.34Å; T657-Q683 HydrophobicContact CG2-CG 3.78Å; D680-Q683 HydrophobicContact CB-CB 3.92Å; D680-Q683 PolarHBondContact O-N 2.97Å; Q683-P691 WeakPolarHBondContact O-CD 3.29Å
684R91.4Very high93.4Very high98 Ų9834.2 Ų34.237%0.3719%0.192SC..  trans-92.9147.2-174.1-64.9171.6175.9-138.424.7111.2N682 G688 R689 D716 G717N682-R684 PolarHBondContact O-N 3.48Å; R684-G688 VanDerWaalsContact CD-O 3.31Å; R684-G688 WeakPolarHBondContact CD-O 3.32Å; R684-G688 WeakPolarHBondContact CG-O 3.36Å; R684-G688 PolarHBondContact NH1-O 3.36Å; R684-R689 WeakPolarHBondContact CA-O 3.47Å; R684-D716 IonicContact CZ-OD2 3.13Å; R684-D716 IonicContact NE-OD2 3.49Å; R684-D716 PolarHBondContact NE-OD2 3.38Å; R684-D716 IonicContact NH2-OD1 2.64Å; R684-D716 PolarHBondContact NH2-OD1 2.96Å; R684-D716 IonicContact NH2-OD2 3.97Å; R684-D716 PolarHBondContact NH2-OD2 3.29Å; R684-G717 PolarHBondContact NH1-O 3.18Å
685D91.8Very high93.2Very high9 Ų934.2 Ų34.25%0.04819%0.192CC..  trans-74.2176.916875.48.6000111.4E654 K656 I660 R687 G688 R689 H694E654-D685 WeakPolarHBondContact O-CB 3.36Å; K656-D685 HydrophobicContact CG-CB 3.99Å; I660-D685 HydrophobicContact CD1-CB 4.04Å; D685-R687 PolarHBondContact O-N 2.93Å; D685-R687 WeakPolarHBondContact OD1-CA 3.17Å; D685-R687 PolarHBondContact OD1-N 2.98Å; D685-G688 PolarHBondContact O-N 3.23Å; D685-G688 PolarHBondContact OD1-N 3Å; D685-R689 PolarHBondContact N-O 2.93Å; D685-R689 WeakPolarHBondContact OD1-CB 3.34Å; D685-R689 PolarHBondContact OD1-N 3.4Å; D685-R689 IonicContact OD1-NE 2.92Å; D685-R689 PolarHBondContact OD1-NE 3.4Å; D685-R689 IonicContact OD1-NH2 2.83Å; D685-R689 IonicContact OD2-CZ 3.6Å; D685-R689 VanDerWaalsContact OD2-CZ 3.27Å; D685-R689 IonicContact OD2-NE 3.18Å; D685-R689 PolarHBondContact OD2-NE 3.36Å; D685-R689 IonicContact OD2-NH2 2.79Å; D685-R689 PolarHBondContact OD2-NH2 3.29Å; D685-H694 IonicContact OD2-CE1 3.44Å; D685-H694 PolarHBondContact OD2-CE1 3.19Å; D685-H694 IonicContact OD2-NE2 3.41Å; D685-H694 PolarHBondContact OD2-NE2 3.04Å
686G88.4Confident93.1Very high54 Ų5433.5 Ų33.556%0.55719%0.188SC*.THydrogen-bonded Turntrans-62.9-8.1-179.500000115.1E654E654-G686 WeakPolarHBondContact O-CA 3.19Å; E654-G686 PolarHBondContact O-N 3.44Å
687R87.4Confident92.9Very high117 Ų11739 Ų3944%0.44221%0.209SC..THydrogen-bonded Turntrans-104.715.3170.8-53.2-160.2-167.6-153.1-6.2112.7E654 D685 R689 E719E654-R687 VanDerWaalsContact CD-NE 3.31Å; E654-R687 IonicContact OE1-CZ 3.63Å; E654-R687 VanDerWaalsContact OE1-CZ 3.29Å; E654-R687 IonicContact OE1-NE 3.1Å; E654-R687 PolarHBondContact OE1-NE 2.89Å; E654-R687 VanDerWaalsContact OE1-NE 3.08Å; E654-R687 IonicContact OE1-NH2 2.86Å; E654-R687 PolarHBondContact OE1-NH2 3.09Å; E654-R687 IonicContact OE2-CZ 3.48Å; E654-R687 IonicContact OE2-NE 2.65Å; E654-R687 PolarHBondContact OE2-NE 3.47Å; E654-R687 IonicContact OE2-NH2 3.57Å; D685-R687 PolarHBondContact O-N 2.93Å; D685-R687 WeakPolarHBondContact OD1-CA 3.17Å; D685-R687 PolarHBondContact OD1-N 2.98Å; R687-R689 VanDerWaalsContact C-N 3.27Å; R687-R689 HydrophobicContact CB-CG 4.25Å; R687-R689 PolarHBondContact O-N 3.36Å; R687-E719 PolarHBondContact O-N 3.5Å
688G88.8Confident92.7Very high20 Ų2040.8 Ų40.821%0.20622%0.219CC..SBendtrans73.711.6-17900000114.8R684 D685R684-G688 VanDerWaalsContact CD-O 3.31Å; R684-G688 WeakPolarHBondContact CD-O 3.32Å; R684-G688 WeakPolarHBondContact CG-O 3.36Å; R684-G688 PolarHBondContact NH1-O 3.36Å; D685-G688 PolarHBondContact O-N 3.23Å; D685-G688 PolarHBondContact OD1-N 3Å
689R90.6Very high92.5Very high35 Ų3538.9 Ų38.913%0.13221%0.206CC..  trans-94.5125.3-175.7-54.8170.7-59.1-163.1-1.7111.3E654 R684 D685 R687 Y693 D718E654-R689 IonicContact OE2-CZ 3.34Å; E654-R689 IonicContact OE2-NH2 2.68Å; E654-R689 PolarHBondContact OE2-NH2 3.5Å; R684-R689 WeakPolarHBondContact CA-O 3.47Å; D685-R689 PolarHBondContact N-O 2.93Å; D685-R689 WeakPolarHBondContact OD1-CB 3.34Å; D685-R689 PolarHBondContact OD1-N 3.4Å; D685-R689 IonicContact OD1-NE 2.92Å; D685-R689 PolarHBondContact OD1-NE 3.4Å; D685-R689 IonicContact OD1-NH2 2.83Å; D685-R689 IonicContact OD2-CZ 3.6Å; D685-R689 VanDerWaalsContact OD2-CZ 3.27Å; D685-R689 IonicContact OD2-NE 3.18Å; D685-R689 PolarHBondContact OD2-NE 3.36Å; D685-R689 IonicContact OD2-NH2 2.79Å; D685-R689 PolarHBondContact OD2-NH2 3.29Å; R687-R689 VanDerWaalsContact C-N 3.27Å; R687-R689 HydrophobicContact CB-CG 4.25Å; R687-R689 PolarHBondContact O-N 3.36Å; R689-Y693 HydrophobicContact CB-CD1 3.77Å; R689-Y693 HydrophobicContact CB-CD2 4.25Å; R689-Y693 HydrophobicContact CB-CE1 4.34Å; R689-Y693 HydrophobicContact CB-CG 3.8Å; R689-Y693 VanDerWaalsContact CD-CE1 3.43Å; R689-Y693 HydrophobicContact CG-CD1 3.85Å; R689-Y693 HydrophobicContact CG-CD2 4.04Å; R689-Y693 HydrophobicContact CG-CE1 3.92Å; R689-Y693 HydrophobicContact CG-CE2 4.01Å; R689-Y693 HydrophobicContact CG-CG 3.99Å; R689-D718 HydrophobicContact CG-CB 3.81Å
690G92.1Very high92.3Very high14 Ų1441.4 Ų41.414%0.14422%0.216CC..  trans-88.9175.5175.700000114.6L692 Y693 H694G690-L692 VanDerWaalsContact C-N 3.28Å; G690-L692 PolarHBondContact O-N 3.45Å; G690-Y693 VanDerWaalsContact O-CB 3.31Å; G690-Y693 WeakPolarHBondContact O-CB 3.29Å; G690-Y693 PolarHBondContact O-N 2.87Å; G690-Y693 VanDerWaalsContact O-N 3.08Å; G690-H694 PolarHBondContact O-CD2 3.29Å; G690-H694 PolarHBondContact O-N 3.26Å
691P94.8Very high92.2Very high0 Ų038 Ų380%020%0.198CC..Hα-helixtrans-54.7-38.2176.5-27.133.5000114.3L659 I660 V681 Q683 H694 A695 F707L659-P691 HydrophobicContact CD2-CB 4.21Å; L659-P691 HydrophobicContact CD2-CG 3.79Å; L659-P691 HydrophobicContact CG-CB 4.28Å; L659-P691 HydrophobicContact CG-CG 4.1Å; I660-P691 HydrophobicContact CG1-CG 4.05Å; V681-P691 WeakPolarHBondContact O-CD 3.2Å; V681-P691 WeakPolarHBondContact O-CG 3.45Å; Q683-P691 WeakPolarHBondContact O-CD 3.29Å; P691-H694 PolarHBondContact O-N 3.39Å; P691-A695 WeakPolarHBondContact O-CB 3.4Å; P691-A695 PolarHBondContact O-N 2.76Å; P691-F707 HydrophobicContact CB-CD2 4.14Å; P691-F707 HydrophobicContact CB-CE1 4.33Å; P691-F707 HydrophobicContact CB-CE2 3.72Å; P691-F707 HydrophobicContact CB-CZ 3.84Å; P691-F707 WeakPolarHBondContact O-CE2 3.38Å
692L95Very high92Very high6 Ų637.9 Ų37.93%0.03120%0.199CC..Hα-helixtrans-64.5-38.5176.9-177.363.8000112.3G690 T696 V704 F707 L708 A712 Q714 P724 L740G690-L692 VanDerWaalsContact C-N 3.28Å; G690-L692 PolarHBondContact O-N 3.45Å; L692-T696 VanDerWaalsContact O-CB 3.3Å; L692-T696 WeakPolarHBondContact O-CB 3.18Å; L692-T696 PolarHBondContact O-N 2.86Å; L692-T696 PolarHBondContact O-OG1 2.91Å; L692-V704 HydrophobicContact CD1-CB 4.36Å; L692-V704 HydrophobicContact CD1-CG1 3.91Å; L692-V704 HydrophobicContact CD1-CG2 4.42Å; L692-F707 HydrophobicContact CD1-CB 4.22Å; L692-L708 HydrophobicContact CD1-CD2 4.25Å; L692-L708 HydrophobicContact CD1-CG 4.17Å; L692-L708 HydrophobicContact CD2-CD2 3.89Å; L692-A712 HydrophobicContact CB-CB 4.1Å; L692-A712 HydrophobicContact CD2-CB 3.97Å; L692-A712 HydrophobicContact CG-CB 4.48Å; L692-Q714 HydrophobicContact CD2-CG 4.37Å; L692-P724 HydrophobicContact CD2-CB 4.22Å; L692-P724 HydrophobicContact CD2-CG 4.01Å; L692-P724 HydrophobicContact CG-CB 4.21Å; L692-P724 HydrophobicContact CG-CG 4.14Å; L692-L740 HydrophobicContact CD1-CD2 4.47Å; L692-L740 HydrophobicContact CD2-CD2 4.13Å
693Y93.2Very high92.1Very high26 Ų2635.5 Ų35.510%0.10219%0.186CC..Hα-helixtrans-59.5-54.4173.8178.3-70000109.9R689 G690 A695 T696 Y697 D718 I727R689-Y693 HydrophobicContact CB-CD1 3.77Å; R689-Y693 HydrophobicContact CB-CD2 4.25Å; R689-Y693 HydrophobicContact CB-CE1 4.34Å; R689-Y693 HydrophobicContact CB-CG 3.8Å; R689-Y693 VanDerWaalsContact CD-CE1 3.43Å; R689-Y693 HydrophobicContact CG-CD1 3.85Å; R689-Y693 HydrophobicContact CG-CD2 4.04Å; R689-Y693 HydrophobicContact CG-CE1 3.92Å; R689-Y693 HydrophobicContact CG-CE2 4.01Å; R689-Y693 HydrophobicContact CG-CG 3.99Å; G690-Y693 VanDerWaalsContact O-CB 3.31Å; G690-Y693 WeakPolarHBondContact O-CB 3.29Å; G690-Y693 PolarHBondContact O-N 2.87Å; G690-Y693 VanDerWaalsContact O-N 3.08Å; Y693-A695 VanDerWaalsContact C-N 3.33Å; Y693-A695 PolarHBondContact O-N 3.04Å; Y693-T696 WeakPolarHBondContact O-CB 3.48Å; Y693-T696 PolarHBondContact O-N 3.48Å; Y693-T696 VanDerWaalsContact O-N 3.09Å; Y693-Y697 HydrophobicContact CE1-CG 4.44Å; Y693-Y697 WeakPolarHBondContact O-CB 3.22Å; Y693-Y697 PolarHBondContact O-N 2.84Å; Y693-D718 HydrophobicContact CD2-CB 4.19Å; Y693-D718 HydrophobicContact CE2-CB 3.68Å; Y693-D718 VanDerWaalsContact CE2-OD2 3.27Å; Y693-D718 WeakPolarHBondContact CE2-OD2 3.5Å; Y693-D718 PolarHBondContact OH-OD2 3.17Å; Y693-I727 HydrophobicContact CD1-CD1 4.42Å; Y693-I727 HydrophobicContact CD2-CD1 3.18Å; Y693-I727 HydrophobicContact CE1-CD1 4.22Å; Y693-I727 HydrophobicContact CE2-CD1 2.99Å; Y693-I727 HydrophobicContact CE2-CG1 4.12Å; Y693-I727 HydrophobicContact CG-CD1 3.9Å
694H92.9Very high92.1Very high14 Ų1433.3 Ų33.37%0.06518%0.176CC..Hα-helixtrans-61.3-41.3-176.7-76.3-74.8000112I660 V663 D685 G690 P691 T696 Y697 L698I660-H694 HydrophobicContact CG2-CB 4.47Å; V663-H694 HydrophobicContact CG1-CB 3.77Å; D685-H694 IonicContact OD2-CE1 3.44Å; D685-H694 PolarHBondContact OD2-CE1 3.19Å; D685-H694 IonicContact OD2-NE2 3.41Å; D685-H694 PolarHBondContact OD2-NE2 3.04Å; G690-H694 PolarHBondContact O-CD2 3.29Å; G690-H694 PolarHBondContact O-N 3.26Å; P691-H694 PolarHBondContact O-N 3.39Å; H694-T696 VanDerWaalsContact C-N 3.31Å; H694-T696 PolarHBondContact O-N 2.9Å; H694-Y697 PolarHBondContact O-N 3.3Å; H694-L698 WeakPolarHBondContact O-CB 3.49Å; H694-L698 VanDerWaalsContact O-CG 3.27Å; H694-L698 WeakPolarHBondContact O-CG 3.35Å; H694-L698 PolarHBondContact O-N 2.77Å
695A94.2Very high92.3Very high0 Ų028.7 Ų28.70%016%0.158CC..Hα-helixtrans-65.5-36176.800000112.2V663 P691 Y693 G699 H700 Q703 V704 F707V663-A695 HydrophobicContact CG1-CB 3.88Å; P691-A695 WeakPolarHBondContact O-CB 3.4Å; P691-A695 PolarHBondContact O-N 2.76Å; Y693-A695 VanDerWaalsContact C-N 3.33Å; Y693-A695 PolarHBondContact O-N 3.04Å; A695-G699 PolarHBondContact O-N 3.36Å; A695-H700 PolarHBondContact O-N 2.99Å; A695-Q703 HydrophobicContact CB-CB 3.9Å; A695-V704 HydrophobicContact CB-CG2 3.84Å; A695-F707 HydrophobicContact CB-CD2 4.11Å; A695-F707 HydrophobicContact CB-CE2 3.93Å
696T93.1Very high92.4Very high0 Ų028.5 Ų28.50%016%0.157CC..Hα-helixtrans-71.1-46.3177.7-59.60000111.6L692 Y693 H694 L698 G699 P724 I727 A728 I736L692-T696 VanDerWaalsContact O-CB 3.3Å; L692-T696 WeakPolarHBondContact O-CB 3.18Å; L692-T696 PolarHBondContact O-N 2.86Å; L692-T696 PolarHBondContact O-OG1 2.91Å; Y693-T696 WeakPolarHBondContact O-CB 3.48Å; Y693-T696 PolarHBondContact O-N 3.48Å; Y693-T696 VanDerWaalsContact O-N 3.09Å; H694-T696 VanDerWaalsContact C-N 3.31Å; H694-T696 PolarHBondContact O-N 2.9Å; T696-L698 VanDerWaalsContact C-N 3.32Å; T696-L698 PolarHBondContact O-N 2.76Å; T696-G699 PolarHBondContact O-N 3Å; T696-P724 VanDerWaalsContact CG2-O 3.24Å; T696-P724 WeakPolarHBondContact CG2-O 3.27Å; T696-I727 HydrophobicContact CG2-CB 4.16Å; T696-I727 HydrophobicContact CG2-CG2 4.04Å; T696-A728 HydrophobicContact CG2-CB 3.75Å; T696-I736 HydrophobicContact CG2-CG2 3.76Å
697Y91.8Very high92.7Very high124 Ų12425.9 Ų25.949%0.48613%0.131SC..Hα-helixtrans-60.2-40.5177-177.2-96.8000112.4Y693 H694 G699 I727Y693-Y697 HydrophobicContact CE1-CG 4.44Å; Y693-Y697 WeakPolarHBondContact O-CB 3.22Å; Y693-Y697 PolarHBondContact O-N 2.84Å; H694-Y697 PolarHBondContact O-N 3.3Å; Y697-G699 VanDerWaalsContact C-N 3.28Å; Y697-G699 PolarHBondContact O-N 3.15Å; Y697-I727 HydrophobicContact CD2-CG2 4.22Å
698L91.6Very high93Very high73 Ų7320.8 Ų20.838%0.38211%0.112SC..THydrogen-bonded Turntrans-79.9-6.2177-64.2173.8000113.7V663 H694 T696 H700V663-L698 HydrophobicContact CG1-CD1 4.27Å; H694-L698 WeakPolarHBondContact O-CB 3.49Å; H694-L698 VanDerWaalsContact O-CG 3.27Å; H694-L698 WeakPolarHBondContact O-CG 3.35Å; H694-L698 PolarHBondContact O-N 2.77Å; T696-L698 VanDerWaalsContact C-N 3.32Å; T696-L698 PolarHBondContact O-N 2.76Å; L698-H700 VanDerWaalsContact C-N 3.34Å; L698-H700 PolarHBondContact O-CD2 3.24Å; L698-H700 PolarHBondContact O-N 2.82Å
699G91.1Very high93Very high27 Ų2723.5 Ų23.528%0.27812%0.118SC..THydrogen-bonded Turntrans70.625.2-179.500000114.3A695 T696 Y697 T701A695-G699 PolarHBondContact O-N 3.36Å; T696-G699 PolarHBondContact O-N 3Å; Y697-G699 VanDerWaalsContact C-N 3.28Å; Y697-G699 PolarHBondContact O-N 3.15Å; G699-T701 PolarHBondContact O-N 3.2Å; G699-T701 VanDerWaalsContact O-N 3.09Å
700H93Very high93.1Very high63 Ų6325.9 Ų25.929%0.29213%0.127SC..  trans-84.574.8-178.8-66.1169000111.6V663 A695 L698 G702 Q703 V704V663-H700 PolarHBondContact O-CE1 2.84Å; V663-H700 PolarHBondContact O-ND1 3.43Å; A695-H700 PolarHBondContact O-N 2.99Å; L698-H700 VanDerWaalsContact C-N 3.34Å; L698-H700 PolarHBondContact O-CD2 3.24Å; L698-H700 PolarHBondContact O-N 2.82Å; H700-G702 PolarHBondContact O-N 3.08Å; H700-G702 VanDerWaalsContact O-N 3.08Å; H700-Q703 HydrophobicContact CB-CB 4.09Å; H700-Q703 HydrophobicContact CB-CG 4.21Å; H700-Q703 VanDerWaalsContact CG-OE1 3.3Å; H700-Q703 PolarHBondContact ND1-OE1 3.29Å; H700-Q703 PolarHBondContact O-N 3.37Å; H700-V704 PolarHBondContact O-N 3.45Å; H700-V704 VanDerWaalsContact O-N 3.08Å
701T92.6Very high92.9Very high3 Ų327.7 Ų27.72%0.01815%0.146CC..Hα-helixtrans-50.8-37.6-175.2-47.50000114.2G699 V704 C705 D735 I736 L739 F771 L782G699-T701 PolarHBondContact O-N 3.2Å; G699-T701 VanDerWaalsContact O-N 3.09Å; T701-V704 PolarHBondContact O-N 3.07Å; T701-C705 WeakPolarHBondContact O-CB 3.45Å; T701-C705 PolarHBondContact O-N 3.21Å; T701-D735 HydrophobicContact CG2-CB 3.84Å; T701-I736 HydrophobicContact CG2-CG1 4.17Å; T701-L739 HydrophobicContact CG2-CD1 3.74Å; T701-F771 HydrophobicContact CG2-CD1 4.02Å; T701-F771 HydrophobicContact CG2-CE1 4.02Å; T701-L782 HydrophobicContact CG2-CD2 4.17Å
702G92.1Very high92.7Very high11 Ų1127.9 Ų27.911%0.11315%0.148CC..Hα-helixtrans-66.3-38.3177.100000113.9L668 H700 C705 L706L668-G702 WeakPolarHBondContact CD1-O 3.38Å; H700-G702 PolarHBondContact O-N 3.08Å; H700-G702 VanDerWaalsContact O-N 3.08Å; G702-C705 PolarHBondContact O-N 2.81Å; G702-L706 PolarHBondContact O-N 2.97Å; G702-L706 VanDerWaalsContact O-N 3.07Å
703Q94.9Very high92.4Very high6 Ų629.1 Ų29.13%0.02816%0.159CC..Hα-helixtrans-72.4-38.3177-68.5174.9-26.200110.9A662 V663 G666 L668 A695 H700 C705 L706 F707A662-Q703 PolarHBondContact O-NE2 3.42Å; V663-Q703 PolarHBondContact O-OE1 2.64Å; G666-Q703 VanDerWaalsContact C-NE2 3.33Å; L668-Q703 HydrophobicContact CD1-CG 4.1Å; A695-Q703 HydrophobicContact CB-CB 3.9Å; H700-Q703 HydrophobicContact CB-CB 4.09Å; H700-Q703 HydrophobicContact CB-CG 4.21Å; H700-Q703 VanDerWaalsContact CG-OE1 3.3Å; H700-Q703 PolarHBondContact ND1-OE1 3.29Å; H700-Q703 PolarHBondContact O-N 3.37Å; Q703-C705 PolarHBondContact O-N 3.16Å; Q703-L706 PolarHBondContact O-N 3Å; Q703-F707 HydrophobicContact CB-CE2 4.22Å; Q703-F707 VanDerWaalsContact O-CD2 3.23Å; Q703-F707 WeakPolarHBondContact O-CD2 3.43Å; Q703-F707 VanDerWaalsContact O-CG 3.32Å; Q703-F707 WeakPolarHBondContact O-CG 3.3Å; Q703-F707 PolarHBondContact O-N 3.12Å
704V94.4Very high92Very high0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-56.8-50.1171172.60000110.8L692 A695 H700 T701 L706 F707 L708 I736 L739L692-V704 HydrophobicContact CD1-CB 4.36Å; L692-V704 HydrophobicContact CD1-CG1 3.91Å; L692-V704 HydrophobicContact CD1-CG2 4.42Å; A695-V704 HydrophobicContact CB-CG2 3.84Å; H700-V704 PolarHBondContact O-N 3.45Å; H700-V704 VanDerWaalsContact O-N 3.08Å; T701-V704 PolarHBondContact O-N 3.07Å; V704-L706 VanDerWaalsContact C-N 3.31Å; V704-L706 PolarHBondContact O-N 2.8Å; V704-F707 PolarHBondContact O-N 2.75Å; V704-L708 HydrophobicContact CG1-CD1 3.86Å; V704-L708 HydrophobicContact CG1-CG 4.43Å; V704-L708 WeakPolarHBondContact O-CG 3.26Å; V704-L708 PolarHBondContact O-N 3.19Å; V704-I736 HydrophobicContact CG1-CG2 4.11Å; V704-I736 HydrophobicContact CG2-CD1 4.03Å; V704-I736 HydrophobicContact CG2-CG1 4.24Å; V704-I736 HydrophobicContact CG2-CG2 4.28Å; V704-L739 HydrophobicContact CG1-CD1 4.4Å
705C93.8Very high91.4Very high0 Ų033.6 Ų33.60%018%0.184CC..Hα-helixtrans-56.3-45.1176.8-177.40000111.7T701 G702 Q703 K709 L739 F768 F771T701-C705 WeakPolarHBondContact O-CB 3.45Å; T701-C705 PolarHBondContact O-N 3.21Å; G702-C705 PolarHBondContact O-N 2.81Å; Q703-C705 PolarHBondContact O-N 3.16Å; C705-K709 WeakPolarHBondContact O-CG 3.42Å; C705-K709 PolarHBondContact O-N 3.18Å; C705-K709 VanDerWaalsContact O-N 3.12Å; C705-L739 HydrophobicContact CB-CD1 4.03Å; C705-F768 VanDerWaalsContact SG-CD1 3.59Å; C705-F771 HydrophobicContact CB-CB 4.35Å
706L94.1Very high90.5Very high5 Ų536.5 Ų36.53%0.02620%0.2CC..Hα-helixtrans-61.1-47.9178.1175.260.8000112.1L668 C671 E672 L675 G702 Q703 V704 K709 R710L668-L706 HydrophobicContact CD1-CB 3.97Å; L668-L706 HydrophobicContact CD1-CD2 3.75Å; L668-L706 HydrophobicContact CD1-CG 4.49Å; C671-L706 HydrophobicContact CB-CD2 3.89Å; E672-L706 HydrophobicContact CB-CD2 4.2Å; E672-L706 VanDerWaalsContact OE2-CD1 3.32Å; E672-L706 WeakPolarHBondContact OE2-CD1 3.35Å; L675-L706 HydrophobicContact CD1-CD1 4.3Å; L675-L706 HydrophobicContact CD1-CD2 3.88Å; L675-L706 HydrophobicContact CD1-CG 3.93Å; G702-L706 PolarHBondContact O-N 2.97Å; G702-L706 VanDerWaalsContact O-N 3.07Å; Q703-L706 PolarHBondContact O-N 3Å; V704-L706 VanDerWaalsContact C-N 3.31Å; V704-L706 PolarHBondContact O-N 2.8Å; L706-K709 WeakPolarHBondContact O-CB 3.44Å; L706-K709 PolarHBondContact O-N 3.41Å; L706-R710 HydrophobicContact CD1-CG 4.37Å; L706-R710 WeakPolarHBondContact O-CG 3.34Å; L706-R710 PolarHBondContact O-N 3.15Å
707F95.4Very high89.6Confident0 Ų037.5 Ų37.50%021%0.21CC..Hα-helixtrans-66.6-40.2-177.9-64.8-33.8000112.8L659 V663 C671 L675 V681 P691 L692 A695 Q703 V704 K709 R710 G711 A712L659-F707 HydrophobicContact CD1-CE1 3.98Å; L659-F707 HydrophobicContact CD1-CZ 4.22Å; L659-F707 HydrophobicContact CD2-CE1 4.28Å; L659-F707 HydrophobicContact CG-CE1 4.29Å; L659-F707 HydrophobicContact CG-CZ 4.37Å; V663-F707 HydrophobicContact CG2-CE2 3.39Å; V663-F707 HydrophobicContact CG2-CZ 3.34Å; C671-F707 HydrophobicContact CB-CE1 4.15Å; C671-F707 HydrophobicContact CB-CZ 4.2Å; L675-F707 HydrophobicContact CD1-CD1 4.11Å; L675-F707 HydrophobicContact CD1-CE1 4Å; V681-F707 HydrophobicContact CG2-CB 4.01Å; V681-F707 HydrophobicContact CG2-CD1 3.75Å; V681-F707 HydrophobicContact CG2-CG 4.15Å; P691-F707 HydrophobicContact CB-CD2 4.14Å; P691-F707 HydrophobicContact CB-CE1 4.33Å; P691-F707 HydrophobicContact CB-CE2 3.72Å; P691-F707 HydrophobicContact CB-CZ 3.84Å; P691-F707 WeakPolarHBondContact O-CE2 3.38Å; L692-F707 HydrophobicContact CD1-CB 4.22Å; A695-F707 HydrophobicContact CB-CD2 4.11Å; A695-F707 HydrophobicContact CB-CE2 3.93Å; Q703-F707 HydrophobicContact CB-CE2 4.22Å; Q703-F707 VanDerWaalsContact O-CD2 3.23Å; Q703-F707 WeakPolarHBondContact O-CD2 3.43Å; Q703-F707 VanDerWaalsContact O-CG 3.32Å; Q703-F707 WeakPolarHBondContact O-CG 3.3Å; Q703-F707 PolarHBondContact O-N 3.12Å; V704-F707 PolarHBondContact O-N 2.75Å; F707-K709 VanDerWaalsContact C-N 3.33Å; F707-K709 PolarHBondContact O-N 3.15Å; F707-R710 CarbonylContact O-C 3.48Å; F707-R710 WeakPolarHBondContact O-CA 3.24Å; F707-R710 PolarHBondContact O-N 3.22Å; F707-G711 PolarHBondContact O-N 3.25Å; F707-A712 HydrophobicContact CB-CB 3.82Å; F707-A712 VanDerWaalsContact O-CB 3.25Å; F707-A712 WeakPolarHBondContact O-CB 3.27Å; F707-A712 PolarHBondContact O-N 2.92Å
708L92.8Very high89.2Confident9 Ų932.5 Ų32.55%0.04719%0.192CC..Hα-helixtrans-62-39.7174.2-68.6173.9000112L692 V704 R710 G711 Q714 L739 L740 A743 F768L692-L708 HydrophobicContact CD1-CD2 4.25Å; L692-L708 HydrophobicContact CD1-CG 4.17Å; L692-L708 HydrophobicContact CD2-CD2 3.89Å; V704-L708 HydrophobicContact CG1-CD1 3.86Å; V704-L708 HydrophobicContact CG1-CG 4.43Å; V704-L708 WeakPolarHBondContact O-CG 3.26Å; V704-L708 PolarHBondContact O-N 3.19Å; L708-R710 PolarHBondContact O-N 3.23Å; L708-G711 PolarHBondContact O-N 3.39Å; L708-G711 VanDerWaalsContact O-N 3.12Å; L708-Q714 HydrophobicContact CD2-CG 3.56Å; L708-L739 HydrophobicContact CD1-CB 4Å; L708-L740 HydrophobicContact CD1-CD2 4.12Å; L708-L740 HydrophobicContact CD2-CD2 4.02Å; L708-A743 HydrophobicContact CB-CB 4.42Å; L708-A743 HydrophobicContact CD1-CB 4.08Å; L708-A743 HydrophobicContact CD2-CB 4.01Å; L708-A743 HydrophobicContact CG-CB 4.4Å; L708-F768 HydrophobicContact CB-CE1 3.73Å; L708-F768 HydrophobicContact CB-CZ 4.15Å; L708-F768 HydrophobicContact CD1-CE1 4.12Å; L708-F768 HydrophobicContact CD1-CZ 3.97Å
709K90.3Very high88.7Confident77 Ų7736.1 Ų36.134%0.33521%0.206SC..Hα-helixtrans-60.9-28.3172.2-75.4-179.8174.2-172.80113.5C705 L706 F707 G711 F768 S772C705-K709 WeakPolarHBondContact O-CG 3.42Å; C705-K709 PolarHBondContact O-N 3.18Å; C705-K709 VanDerWaalsContact O-N 3.12Å; L706-K709 WeakPolarHBondContact O-CB 3.44Å; L706-K709 PolarHBondContact O-N 3.41Å; F707-K709 VanDerWaalsContact C-N 3.33Å; F707-K709 PolarHBondContact O-N 3.15Å; K709-G711 VanDerWaalsContact C-N 3.34Å; K709-F768 VanDerWaalsContact CE-O 3.28Å; K709-F768 WeakPolarHBondContact CE-O 3.47Å; K709-F768 HydrophobicContact CG-CD1 3.84Å; K709-F768 PolarHBondContact NZ-O 3.27Å; K709-S772 VanDerWaalsContact NZ-CB 3.31Å; K709-S772 PolarHBondContact NZ-OG 2.9Å
710R91Very high88.2Confident86 Ų8641.3 Ų41.333%0.32523%0.228SC..THydrogen-bonded Turntrans-91.45.8179.5-62-65.3-174.6153.51.3113.4E672 L675 V681 L706 F707 L708E672-R710 IonicContact OE1-CZ 3.3Å; E672-R710 IonicContact OE1-NH2 3.43Å; E672-R710 PolarHBondContact OE1-NH2 3.12Å; E672-R710 IonicContact OE2-CZ 3.34Å; E672-R710 IonicContact OE2-NE 3.17Å; E672-R710 IonicContact OE2-NH2 2.7Å; E672-R710 PolarHBondContact OE2-NH2 2.68Å; L675-R710 HydrophobicContact CD1-CG 4.01Å; L675-R710 HydrophobicContact CD2-CG 4.46Å; V681-R710 HydrophobicContact CG2-CB 4.16Å; L706-R710 HydrophobicContact CD1-CG 4.37Å; L706-R710 WeakPolarHBondContact O-CG 3.34Å; L706-R710 PolarHBondContact O-N 3.15Å; F707-R710 CarbonylContact O-C 3.48Å; F707-R710 WeakPolarHBondContact O-CA 3.24Å; F707-R710 PolarHBondContact O-N 3.22Å; L708-R710 PolarHBondContact O-N 3.23Å
711G88.8Confident87.8Confident52 Ų5241 Ų4154%0.53624%0.242SC..THydrogen-bonded Turntrans80.434.5177.200000113.8N682 F707 L708 K709N682-G711 PolarHBondContact ND2-O 2.82Å; F707-G711 PolarHBondContact O-N 3.25Å; L708-G711 PolarHBondContact O-N 3.39Å; L708-G711 VanDerWaalsContact O-N 3.12Å; K709-G711 VanDerWaalsContact C-N 3.34Å
712A91.3Very high87.4Confident4 Ų443.7 Ų43.73%0.03326%0.255CS..  trans-61.9135.7172.200000111.8V681 N682 L692 F707 Q714V681-A712 HydrophobicContact CG2-CB 3.91Å; N682-A712 VanDerWaalsContact OD1-CA 3.27Å; N682-A712 WeakPolarHBondContact OD1-CA 3.17Å; L692-A712 HydrophobicContact CB-CB 4.1Å; L692-A712 HydrophobicContact CD2-CB 3.97Å; L692-A712 HydrophobicContact CG-CB 4.48Å; F707-A712 HydrophobicContact CB-CB 3.82Å; F707-A712 VanDerWaalsContact O-CB 3.25Å; F707-A712 WeakPolarHBondContact O-CB 3.27Å; F707-A712 PolarHBondContact O-N 2.92Å; A712-Q714 PolarHBondContact O-N 3.24Å
713A88.3Confident87.3Confident32 Ų3245.4 Ų45.426%0.26426%0.261SS..  trans-68.1124.8178.900000110.7N682 D716N682-A713 PolarHBondContact OD1-N 2.95Å; A713-D716 HydrophobicContact CB-CB 4.18Å; A713-D716 VanDerWaalsContact CB-CG 3.49Å; A713-D716 WeakPolarHBondContact CB-OD2 3.14Å
714Q85.1Confident87Confident18 Ų1845.3 Ų45.38%0.08426%0.261CS..SBendtrans-95.7-17.5-171.9-60-17865.100113.8L692 L708 A712 P724 L740 A743 D747L692-Q714 HydrophobicContact CD2-CG 4.37Å; L708-Q714 HydrophobicContact CD2-CG 3.56Å; A712-Q714 PolarHBondContact O-N 3.24Å; Q714-P724 WeakPolarHBondContact O-CD 3.37Å; Q714-L740 PolarHBondContact OE1-O 3.05Å; Q714-A743 VanDerWaalsContact NE2-CB 3.31Å; Q714-A743 PolarHBondContact NE2-O 3.35Å; Q714-D747 PolarHBondContact NE2-OD2 3.03Å
715N79Confident86.8Confident116 Ų11647 Ų4762%0.6227%0.27SS*.SBendtrans-103.35.6-174.3-60.2-27.6000112.5G717N715-G717 PolarHBondContact O-N 3.01Å
716D75.3Confident86.6Confident61 Ų6148.5 Ų48.533%0.32628%0.28SS..  trans-83101.6-173.1-84.714.3000109.6R684 A713R684-D716 IonicContact CZ-OD2 3.13Å; R684-D716 IonicContact NE-OD2 3.49Å; R684-D716 PolarHBondContact NE-OD2 3.38Å; R684-D716 IonicContact NH2-OD1 2.64Å; R684-D716 PolarHBondContact NH2-OD1 2.96Å; R684-D716 IonicContact NH2-OD2 3.97Å; R684-D716 PolarHBondContact NH2-OD2 3.29Å; A713-D716 HydrophobicContact CB-CB 4.18Å; A713-D716 VanDerWaalsContact CB-CG 3.49Å; A713-D716 WeakPolarHBondContact CB-OD2 3.14Å
717G76.1Confident86.4Confident21 Ų2148.3 Ų48.322%0.21628%0.279CS..  trans-76.3153176.500000113.4R684 N715 Q722R684-G717 PolarHBondContact NH1-O 3.18Å; N715-G717 PolarHBondContact O-N 3.01Å; G717-Q722 VanDerWaalsContact CA-O 3.31Å; G717-Q722 WeakPolarHBondContact CA-O 3.22Å
718D81.8Confident86.2Confident19 Ų1948.3 Ų48.310%0.10228%0.279CS..  trans-74.6-174.5167.169.8-3.1000112.4R689 Y693 D720 G721 Q722R689-D718 HydrophobicContact CG-CB 3.81Å; Y693-D718 HydrophobicContact CD2-CB 4.19Å; Y693-D718 HydrophobicContact CE2-CB 3.68Å; Y693-D718 VanDerWaalsContact CE2-OD2 3.27Å; Y693-D718 WeakPolarHBondContact CE2-OD2 3.5Å; Y693-D718 PolarHBondContact OH-OD2 3.17Å; D718-D720 PolarHBondContact O-N 3.45Å; D718-D720 WeakPolarHBondContact OD1-CA 3.47Å; D718-D720 PolarHBondContact OD1-N 3.4Å; D718-G721 WeakPolarHBondContact O-CA 3.38Å; D718-G721 PolarHBondContact O-N 3.33Å; D718-G721 PolarHBondContact OD1-N 3.4Å; D718-G721 VanDerWaalsContact OD1-N 3.1Å; D718-Q722 PolarHBondContact N-O 3.03Å; D718-Q722 VanDerWaalsContact N-O 3.14Å; D718-Q722 WeakPolarHBondContact OD1-CB 3.27Å; D718-Q722 PolarHBondContact OD1-N 2.95Å
719E82.4Confident86.1Confident148 Ų14852 Ų5269%0.69230%0.302SS*.THydrogen-bonded Turntrans-57.7-25.8177-75.2-178.1162.700114R687 G721R687-E719 PolarHBondContact O-N 3.5Å; E719-G721 VanDerWaalsContact C-N 3.31Å
720D81Confident86Confident136 Ų13654.3 Ų54.373%0.72731%0.314SS*.THydrogen-bonded Turntrans-893.3176.3-66.1-47.1000112.6D718 Q722D718-D720 PolarHBondContact O-N 3.45Å; D718-D720 WeakPolarHBondContact OD1-CA 3.47Å; D718-D720 PolarHBondContact OD1-N 3.4Å; D720-Q722 VanDerWaalsContact C-N 3.3Å; D720-Q722 HydrophobicContact CB-CG 4.23Å; D720-Q722 PolarHBondContact O-N 3.21Å
721G83.1Confident85.8Confident58 Ų5854.4 Ų54.460%0.59832%0.318SS*.  trans72.517.5-178.500000114.2D718 E719D718-G721 WeakPolarHBondContact O-CA 3.38Å; D718-G721 PolarHBondContact O-N 3.33Å; D718-G721 PolarHBondContact OD1-N 3.4Å; D718-G721 VanDerWaalsContact OD1-N 3.1Å; E719-G721 VanDerWaalsContact C-N 3.31Å
722Q85.1Confident85.7Confident59 Ų5955.1 Ų55.128%0.27632%0.319SS..  trans-84.5116.4178.8-60.1-61.4-36.900110.6G717 D718 D720 S726 I727G717-Q722 VanDerWaalsContact CA-O 3.31Å; G717-Q722 WeakPolarHBondContact CA-O 3.22Å; D718-Q722 PolarHBondContact N-O 3.03Å; D718-Q722 VanDerWaalsContact N-O 3.14Å; D718-Q722 WeakPolarHBondContact OD1-CB 3.27Å; D718-Q722 PolarHBondContact OD1-N 2.95Å; D720-Q722 VanDerWaalsContact C-N 3.3Å; D720-Q722 HydrophobicContact CB-CG 4.23Å; D720-Q722 PolarHBondContact O-N 3.21Å; Q722-S726 WeakPolarHBondContact CA-OG 3.16Å; Q722-S726 PolarHBondContact OE1-OG 3.39Å; Q722-I727 HydrophobicContact CB-CD1 4.43Å; Q722-I727 HydrophobicContact CB-CG1 4.14Å
723D88.8Confident85.5Confident47 Ų4756.4 Ų56.425%0.25133%0.325SS..  trans-81.9162.3173.471.326.5000111.4L725 S726 I727D723-L725 PolarHBondContact O-N 2.88Å; D723-L725 VanDerWaalsContact O-N 3.08Å; D723-L725 WeakPolarHBondContact OD1-CA 3.18Å; D723-L725 WeakPolarHBondContact OD1-CB 3.1Å; D723-L725 PolarHBondContact OD1-N 3.36Å; D723-S726 PolarHBondContact N-OG 3.07Å; D723-S726 PolarHBondContact O-N 3.05Å; D723-S726 VanDerWaalsContact O-N 3.14Å; D723-S726 PolarHBondContact O-OG 3.42Å; D723-S726 PolarHBondContact OD1-N 3.31Å; D723-I727 WeakPolarHBondContact O-CD1 3.48Å; D723-I727 WeakPolarHBondContact O-CG1 3.3Å; D723-I727 PolarHBondContact O-N 2.76Å
724P88.9Confident85.5Confident4 Ų458.1 Ų58.13%0.02634%0.339CS..Hα-helixtrans-50.9-32.3175.5-31.135.8000114.4L692 T696 Q714 A728 L740L692-P724 HydrophobicContact CD2-CB 4.22Å; L692-P724 HydrophobicContact CD2-CG 4.01Å; L692-P724 HydrophobicContact CG-CB 4.21Å; L692-P724 HydrophobicContact CG-CG 4.14Å; T696-P724 VanDerWaalsContact CG2-O 3.24Å; T696-P724 WeakPolarHBondContact CG2-O 3.27Å; Q714-P724 WeakPolarHBondContact O-CD 3.37Å; P724-A728 WeakPolarHBondContact O-CB 3.49Å; P724-A728 PolarHBondContact O-N 3Å; P724-L740 HydrophobicContact CB-CD1 4.09Å; P724-L740 HydrophobicContact CB-CD2 4.11Å; P724-L740 WeakPolarHBondContact O-CD1 3.28Å
725L90.9Very high85.7Confident35 Ų3559.3 Ų59.318%0.18335%0.346CS..Hα-helixtrans-73.5-40.9-179.7-17963.1000111.7D723 I727 A728 V729 V737 L740 R741D723-L725 PolarHBondContact O-N 2.88Å; D723-L725 VanDerWaalsContact O-N 3.08Å; D723-L725 WeakPolarHBondContact OD1-CA 3.18Å; D723-L725 WeakPolarHBondContact OD1-CB 3.1Å; D723-L725 PolarHBondContact OD1-N 3.36Å; L725-I727 VanDerWaalsContact C-N 3.3Å; L725-I727 PolarHBondContact O-N 3.28Å; L725-A728 PolarHBondContact O-N 2.81Å; L725-V729 VanDerWaalsContact O-CG2 3.32Å; L725-V729 WeakPolarHBondContact O-CG2 3.39Å; L725-V729 PolarHBondContact O-N 2.9Å; L725-V737 HydrophobicContact CD1-CG1 4.15Å; L725-L740 HydrophobicContact CB-CD1 4.37Å; L725-L740 HydrophobicContact CD1-CB 4.15Å; L725-L740 HydrophobicContact CD1-CD1 4.44Å; L725-R741 HydrophobicContact CD1-CG 4.18Å
726S89.8Confident86.3Confident31 Ų3153.8 Ų53.822%0.21732%0.317CS..Hα-helixtrans-63-40.7177.376.60000110.5Q722 D723 V729 Q730Q722-S726 WeakPolarHBondContact CA-OG 3.16Å; Q722-S726 PolarHBondContact OE1-OG 3.39Å; D723-S726 PolarHBondContact N-OG 3.07Å; D723-S726 PolarHBondContact O-N 3.05Å; D723-S726 VanDerWaalsContact O-N 3.14Å; D723-S726 PolarHBondContact O-OG 3.42Å; D723-S726 PolarHBondContact OD1-N 3.31Å; S726-V729 PolarHBondContact O-N 3.33Å; S726-Q730 VanDerWaalsContact O-CG 3.26Å; S726-Q730 WeakPolarHBondContact O-CG 3.32Å; S726-Q730 PolarHBondContact O-N 3.09Å
727I89.5Confident87.1Confident2 Ų251.8 Ų51.81%0.0131%0.307CS..Hα-helixtrans-66.2-44.9175.9-59.6156.7000110.9Y693 T696 Y697 Q722 D723 L725 V729 Q730 Q731Y693-I727 HydrophobicContact CD1-CD1 4.42Å; Y693-I727 HydrophobicContact CD2-CD1 3.18Å; Y693-I727 HydrophobicContact CE1-CD1 4.22Å; Y693-I727 HydrophobicContact CE2-CD1 2.99Å; Y693-I727 HydrophobicContact CE2-CG1 4.12Å; Y693-I727 HydrophobicContact CG-CD1 3.9Å; T696-I727 HydrophobicContact CG2-CB 4.16Å; T696-I727 HydrophobicContact CG2-CG2 4.04Å; Y697-I727 HydrophobicContact CD2-CG2 4.22Å; Q722-I727 HydrophobicContact CB-CD1 4.43Å; Q722-I727 HydrophobicContact CB-CG1 4.14Å; D723-I727 WeakPolarHBondContact O-CD1 3.48Å; D723-I727 WeakPolarHBondContact O-CG1 3.3Å; D723-I727 PolarHBondContact O-N 2.76Å; L725-I727 VanDerWaalsContact C-N 3.3Å; L725-I727 PolarHBondContact O-N 3.28Å; I727-V729 PolarHBondContact O-N 3.14Å; I727-Q730 PolarHBondContact O-N 3.08Å; I727-Q731 HydrophobicContact CG2-CG 4.14Å; I727-Q731 WeakPolarHBondContact O-CB 3.42Å; I727-Q731 VanDerWaalsContact O-CG 3.31Å; I727-Q731 WeakPolarHBondContact O-CG 3.16Å; I727-Q731 PolarHBondContact O-N 2.83Å
728A91.6Very high87.8Confident0 Ų053.9 Ų53.90%032%0.315CS..Hα-helixtrans-59.8-37.7178.100000112.1T696 P724 L725 A732 N733 I736 V737 L740T696-A728 HydrophobicContact CG2-CB 3.75Å; P724-A728 WeakPolarHBondContact O-CB 3.49Å; P724-A728 PolarHBondContact O-N 3Å; L725-A728 PolarHBondContact O-N 2.81Å; A728-A732 PolarHBondContact O-N 3.14Å; A728-N733 PolarHBondContact O-N 3.03Å; A728-I736 HydrophobicContact CB-CB 4.24Å; A728-I736 HydrophobicContact CB-CG2 3.6Å; A728-V737 HydrophobicContact CB-CG2 3.66Å; A728-L740 HydrophobicContact CB-CD1 3.94Å
729V90.9Very high88.2Confident85 Ų8553 Ų5352%0.51531%0.311SS..Hα-helixtrans-68.7-45.8174.7171.90000111.1L725 S726 I727 Q731 A732 V737L725-V729 VanDerWaalsContact O-CG2 3.32Å; L725-V729 WeakPolarHBondContact O-CG2 3.39Å; L725-V729 PolarHBondContact O-N 2.9Å; S726-V729 PolarHBondContact O-N 3.33Å; I727-V729 PolarHBondContact O-N 3.14Å; V729-Q731 VanDerWaalsContact C-N 3.33Å; V729-Q731 PolarHBondContact O-N 3.14Å; V729-A732 PolarHBondContact O-N 3.11Å; V729-V737 HydrophobicContact CG2-CG2 3.9Å
730Q88.3Confident88.7Confident126 Ų12646.1 Ų46.159%0.58928%0.278SS*.Hα-helixtrans-61.2-39.9176.9-73.5171.614.700112.3S726 I727 A732S726-Q730 VanDerWaalsContact O-CG 3.26Å; S726-Q730 WeakPolarHBondContact O-CG 3.32Å; S726-Q730 PolarHBondContact O-N 3.09Å; I727-Q730 PolarHBondContact O-N 3.08Å; Q730-A732 PolarHBondContact O-N 3.38Å
731Q86.6Confident89.1Confident89 Ų8947 Ų4742%0.41627%0.271SS..THydrogen-bonded Turntrans-77.7-1176.2-65.6-64.8-15.200113.3I727 V729 N733I727-Q731 HydrophobicContact CG2-CG 4.14Å; I727-Q731 WeakPolarHBondContact O-CB 3.42Å; I727-Q731 VanDerWaalsContact O-CG 3.31Å; I727-Q731 WeakPolarHBondContact O-CG 3.16Å; I727-Q731 PolarHBondContact O-N 2.83Å; V729-Q731 VanDerWaalsContact C-N 3.33Å; V729-Q731 PolarHBondContact O-N 3.14Å; Q731-N733 PolarHBondContact O-N 2.86Å
732A87.1Confident89.3Confident67 Ų6745.7 Ų45.755%0.55425%0.251SS*.THydrogen-bonded Turntrans52.535-178.300000114A728 V729 Q730 A734A728-A732 PolarHBondContact O-N 3.14Å; V729-A732 PolarHBondContact O-N 3.11Å; Q730-A732 PolarHBondContact O-N 3.38Å; A732-A734 PolarHBondContact O-N 3.42Å
733N86.6Confident89.3Confident31 Ų3142.9 Ų42.917%0.16624%0.238CC..  trans-95.190.7-179.9-166.8-32.6000111.1A728 Q731 D735 I736 V737A728-N733 PolarHBondContact O-N 3.03Å; Q731-N733 PolarHBondContact O-N 2.86Å; N733-D735 VanDerWaalsContact C-N 3.29Å; N733-D735 PolarHBondContact O-N 2.87Å; N733-D735 PolarHBondContact OD1-N 3.36Å; N733-I736 HydrophobicContact CB-CB 4.21Å; N733-I736 HydrophobicContact CB-CD1 4.16Å; N733-I736 HydrophobicContact CB-CG1 4.34Å; N733-I736 WeakPolarHBondContact ND2-CD1 3.25Å; N733-I736 PolarHBondContact O-N 3.13Å; N733-I736 PolarHBondContact OD1-N 3.39Å; N733-V737 WeakPolarHBondContact O-CG2 3.31Å; N733-V737 PolarHBondContact O-N 3.36Å
734A88.2Confident89.1Confident67 Ų6746.1 Ų46.155%0.55425%0.247SC*.Hα-helixtrans-59.7-34.6-175.200000114A732 V737 T738A732-A734 PolarHBondContact O-N 3.42Å; A734-V737 PolarHBondContact O-N 2.74Å; A734-T738 WeakPolarHBondContact O-CB 3.22Å; A734-T738 PolarHBondContact O-N 3.24Å; A734-T738 PolarHBondContact O-OG1 3.02Å
735D89.4Confident88.9Confident44 Ų4449.8 Ų49.824%0.23526%0.264CS..Hα-helixtrans-68.1-43.3179.9-67.4-27.4000110.7T701 N733 T738 L739 F771T701-D735 HydrophobicContact CG2-CB 3.84Å; N733-D735 VanDerWaalsContact C-N 3.29Å; N733-D735 PolarHBondContact O-N 2.87Å; N733-D735 PolarHBondContact OD1-N 3.36Å; D735-T738 WeakPolarHBondContact O-CB 3.42Å; D735-T738 PolarHBondContact O-N 3.44Å; D735-L739 WeakPolarHBondContact O-CG 3.43Å; D735-L739 PolarHBondContact O-N 2.79Å; D735-F771 HydrophobicContact CB-CE1 3.98Å; D735-F771 HydrophobicContact CB-CZ 4.28Å
736I92.1Very high88.4Confident0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-66.5-42.5176.1-65.6178.6000111T696 T701 V704 A728 N733 T738 L739 L740T696-I736 HydrophobicContact CG2-CG2 3.76Å; T701-I736 HydrophobicContact CG2-CG1 4.17Å; V704-I736 HydrophobicContact CG1-CG2 4.11Å; V704-I736 HydrophobicContact CG2-CD1 4.03Å; V704-I736 HydrophobicContact CG2-CG1 4.24Å; V704-I736 HydrophobicContact CG2-CG2 4.28Å; A728-I736 HydrophobicContact CB-CB 4.24Å; A728-I736 HydrophobicContact CB-CG2 3.6Å; N733-I736 HydrophobicContact CB-CB 4.21Å; N733-I736 HydrophobicContact CB-CD1 4.16Å; N733-I736 HydrophobicContact CB-CG1 4.34Å; N733-I736 WeakPolarHBondContact ND2-CD1 3.25Å; N733-I736 PolarHBondContact O-N 3.13Å; N733-I736 PolarHBondContact OD1-N 3.39Å; I736-T738 PolarHBondContact O-N 2.81Å; I736-L739 PolarHBondContact O-N 3.35Å; I736-L740 HydrophobicContact CG2-CD1 3.76Å; I736-L740 HydrophobicContact CG2-CG 4.31Å; I736-L740 WeakPolarHBondContact O-CG 3.14Å; I736-L740 PolarHBondContact O-N 3.5Å
737V91.3Very high88Confident19 Ų1949.7 Ų49.712%0.11526%0.262CS..Hα-helixtrans-57.5-40.7174.3171.50000111L725 A728 V729 N733 A734 R741L725-V737 HydrophobicContact CD1-CG1 4.15Å; A728-V737 HydrophobicContact CB-CG2 3.66Å; V729-V737 HydrophobicContact CG2-CG2 3.9Å; N733-V737 WeakPolarHBondContact O-CG2 3.31Å; N733-V737 PolarHBondContact O-N 3.36Å; A734-V737 PolarHBondContact O-N 2.74Å; V737-R741 HydrophobicContact CG1-CG 4.47Å; V737-R741 WeakPolarHBondContact O-CB 3.44Å; V737-R741 VanDerWaalsContact O-CG 3.28Å; V737-R741 WeakPolarHBondContact O-CG 3.37Å; V737-R741 PolarHBondContact O-N 3.43Å
738T90.4Very high87.5Confident65 Ų6554.2 Ų54.240%0.39928%0.283SS..Hα-helixtrans-66-47.7178.3-57.90000111.3A734 D735 I736 L740 R741 L742A734-T738 WeakPolarHBondContact O-CB 3.22Å; A734-T738 PolarHBondContact O-N 3.24Å; A734-T738 PolarHBondContact O-OG1 3.02Å; D735-T738 WeakPolarHBondContact O-CB 3.42Å; D735-T738 PolarHBondContact O-N 3.44Å; I736-T738 PolarHBondContact O-N 2.81Å; T738-L740 PolarHBondContact O-N 2.74Å; T738-R741 PolarHBondContact O-N 2.76Å; T738-L742 HydrophobicContact CG2-CD1 3.86Å; T738-L742 HydrophobicContact CG2-CG 4.38Å; T738-L742 WeakPolarHBondContact O-CB 3.38Å; T738-L742 VanDerWaalsContact O-CG 3.27Å; T738-L742 WeakPolarHBondContact O-CG 3.19Å; T738-L742 PolarHBondContact O-N 3.32Å
739L91.1Very high86.5Confident0 Ų057.7 Ų57.70%030%0.3CS..Hα-helixtrans-59.4-45.4178-74.4171.6000112.3T701 V704 C705 L708 D735 I736 L742 A743 F768 F771T701-L739 HydrophobicContact CG2-CD1 3.74Å; V704-L739 HydrophobicContact CG1-CD1 4.4Å; C705-L739 HydrophobicContact CB-CD1 4.03Å; L708-L739 HydrophobicContact CD1-CB 4Å; D735-L739 WeakPolarHBondContact O-CG 3.43Å; D735-L739 PolarHBondContact O-N 2.79Å; I736-L739 PolarHBondContact O-N 3.35Å; L739-L742 PolarHBondContact O-N 2.97Å; L739-A743 WeakPolarHBondContact O-CB 3.42Å; L739-A743 PolarHBondContact O-N 2.94Å; L739-F768 HydrophobicContact CB-CZ 4.34Å; L739-F768 HydrophobicContact CD2-CD1 4.29Å; L739-F768 HydrophobicContact CD2-CD2 4.25Å; L739-F768 HydrophobicContact CD2-CE1 3.91Å; L739-F768 HydrophobicContact CD2-CE2 3.84Å; L739-F768 HydrophobicContact CD2-CG 4.46Å; L739-F768 HydrophobicContact CD2-CZ 3.67Å; L739-F771 HydrophobicContact CD1-CD1 4.19Å; L739-F771 HydrophobicContact CD1-CE1 4.48Å; L739-F771 HydrophobicContact CD1-CG 4.28Å; L739-F771 HydrophobicContact CD2-CB 4.34Å; L739-F771 HydrophobicContact CD2-CD2 3.64Å; L739-F771 HydrophobicContact CD2-CE2 4.05Å; L739-F771 HydrophobicContact CD2-CG 3.94Å; L739-F771 HydrophobicContact CG-CD2 4.3Å; L739-F771 HydrophobicContact CG-CE2 4.35Å; L739-F771 HydrophobicContact CG-CG 4.44Å
740L91.3Very high85.6Confident3 Ų361.2 Ų61.22%0.01630%0.304CS..Hα-helixtrans-65.6-43.5178.6-70.8168.8000112L692 L708 Q714 P724 L725 A728 I736 T738 L742 A743 R744L692-L740 HydrophobicContact CD1-CD2 4.47Å; L692-L740 HydrophobicContact CD2-CD2 4.13Å; L708-L740 HydrophobicContact CD1-CD2 4.12Å; L708-L740 HydrophobicContact CD2-CD2 4.02Å; Q714-L740 PolarHBondContact OE1-O 3.05Å; P724-L740 HydrophobicContact CB-CD1 4.09Å; P724-L740 HydrophobicContact CB-CD2 4.11Å; P724-L740 WeakPolarHBondContact O-CD1 3.28Å; L725-L740 HydrophobicContact CB-CD1 4.37Å; L725-L740 HydrophobicContact CD1-CB 4.15Å; L725-L740 HydrophobicContact CD1-CD1 4.44Å; A728-L740 HydrophobicContact CB-CD1 3.94Å; I736-L740 HydrophobicContact CG2-CD1 3.76Å; I736-L740 HydrophobicContact CG2-CG 4.31Å; I736-L740 WeakPolarHBondContact O-CG 3.14Å; I736-L740 PolarHBondContact O-N 3.5Å; T738-L740 PolarHBondContact O-N 2.74Å; L740-L742 PolarHBondContact O-N 3Å; L740-A743 PolarHBondContact O-N 3.1Å; L740-R744 WeakPolarHBondContact O-CB 3.4Å; L740-R744 PolarHBondContact O-N 3.25Å
741R89.5Confident84.7Confident154 Ų15462.9 Ų62.958%0.58131%0.312SS*.Hα-helixtrans-64.8-40.5177.2-74.2177.8179.1-169.20.8112.5L725 V737 T738 M745L725-R741 HydrophobicContact CD1-CG 4.18Å; V737-R741 HydrophobicContact CG1-CG 4.47Å; V737-R741 WeakPolarHBondContact O-CB 3.44Å; V737-R741 VanDerWaalsContact O-CG 3.28Å; V737-R741 WeakPolarHBondContact O-CG 3.37Å; V737-R741 PolarHBondContact O-N 3.43Å; T738-R741 PolarHBondContact O-N 2.76Å; R741-M745 WeakPolarHBondContact O-CB 3.35Å; R741-M745 PolarHBondContact O-N 3Å
742L87.6Confident83.8Confident31 Ų3163.2 Ų63.216%0.16232%0.324CS..Hα-helixtrans-66.5-43.7177.4-74.8173.4000111.9T738 L739 L740 M745 N746 Y764 I767 F768T738-L742 HydrophobicContact CG2-CD1 3.86Å; T738-L742 HydrophobicContact CG2-CG 4.38Å; T738-L742 WeakPolarHBondContact O-CB 3.38Å; T738-L742 VanDerWaalsContact O-CG 3.27Å; T738-L742 WeakPolarHBondContact O-CG 3.19Å; T738-L742 PolarHBondContact O-N 3.32Å; L739-L742 PolarHBondContact O-N 2.97Å; L740-L742 PolarHBondContact O-N 3Å; L742-M745 HydrophobicContact CD2-CE 4.07Å; L742-M745 PolarHBondContact O-N 3.41Å; L742-N746 WeakPolarHBondContact O-CB 3.32Å; L742-N746 PolarHBondContact O-N 2.82Å; L742-Y764 HydrophobicContact CB-CD2 4.38Å; L742-I767 HydrophobicContact CD1-CB 4.36Å; L742-I767 HydrophobicContact CD1-CD1 3.7Å; L742-I767 HydrophobicContact CD1-CG2 3.76Å; L742-I767 HydrophobicContact CD2-CD1 4.47Å; L742-F768 HydrophobicContact CB-CE2 4.26Å
743A86.1Confident82.4Confident1 Ų165.4 Ų65.41%0.00832%0.323CS..Hα-helixtrans-64.7-42.3177.200000111.6L708 Q714 L739 L740 N746 D747 Y764 F768L708-A743 HydrophobicContact CB-CB 4.42Å; L708-A743 HydrophobicContact CD1-CB 4.08Å; L708-A743 HydrophobicContact CD2-CB 4.01Å; L708-A743 HydrophobicContact CG-CB 4.4Å; Q714-A743 VanDerWaalsContact NE2-CB 3.31Å; Q714-A743 PolarHBondContact NE2-O 3.35Å; L739-A743 WeakPolarHBondContact O-CB 3.42Å; L739-A743 PolarHBondContact O-N 2.94Å; L740-A743 PolarHBondContact O-N 3.1Å; A743-N746 PolarHBondContact O-N 3.35Å; A743-D747 PolarHBondContact O-N 2.86Å; A743-Y764 HydrophobicContact CB-CE2 4.08Å; A743-F768 HydrophobicContact CB-CZ 4.07Å
744R84.9Confident80.9Confident115 Ų11566 Ų6643%0.43434%0.335SS..Hα-helixtrans-59.5-48.6173.6178.5176.6166.8168.61.7112.6L740 N746 D747 E748L740-R744 WeakPolarHBondContact O-CB 3.4Å; L740-R744 PolarHBondContact O-N 3.25Å; R744-N746 VanDerWaalsContact C-N 3.26Å; R744-N746 PolarHBondContact O-N 3.25Å; R744-D747 PolarHBondContact O-N 3.37Å; R744-E748 WeakPolarHBondContact CG-OE1 2.82Å; R744-E748 IonicContact CZ-OE1 3.05Å; R744-E748 IonicContact NE-OE1 3.11Å; R744-E748 PolarHBondContact NE-OE1 3.48Å; R744-E748 IonicContact NH2-OE1 3.72Å; R744-E748 PolarHBondContact NH2-OE1 2.76Å; R744-E748 WeakPolarHBondContact O-CG 3.37Å; R744-E748 PolarHBondContact O-N 2.96Å
745M83.3Confident79Confident80 Ų8068.8 Ų68.839%0.39435%0.348SS..Hα-helixtrans-59.4-39.3177.3-176.2-175.872.800111.5R741 L742 E748 M749R741-M745 WeakPolarHBondContact O-CB 3.35Å; R741-M745 PolarHBondContact O-N 3Å; L742-M745 HydrophobicContact CD2-CE 4.07Å; L742-M745 PolarHBondContact O-N 3.41Å; M745-E748 PolarHBondContact O-N 2.79Å; M745-M749 WeakPolarHBondContact O-CB 3.29Å; M745-M749 VanDerWaalsContact O-CG 3.31Å; M745-M749 WeakPolarHBondContact O-CG 3.42Å; M745-M749 PolarHBondContact O-N 2.7Å
746N81.9Confident77.2Confident19 Ų1976.3 Ų76.310%0.10238%0.379CS..Hα-helixtrans-67.7-37.1177.5-177.775.6000112.7L742 A743 R744 R750 Y764L742-N746 WeakPolarHBondContact O-CB 3.32Å; L742-N746 PolarHBondContact O-N 2.82Å; A743-N746 PolarHBondContact O-N 3.35Å; R744-N746 VanDerWaalsContact C-N 3.26Å; R744-N746 PolarHBondContact O-N 3.25Å; N746-R750 WeakPolarHBondContact O-CB 3.37Å; N746-R750 PolarHBondContact O-N 3.33Å; N746-Y764 HydrophobicContact CB-CD1 4.49Å; N746-Y764 HydrophobicContact CB-CD2 3.72Å; N746-Y764 HydrophobicContact CB-CE2 3.95Å; N746-Y764 HydrophobicContact CB-CG 4.03Å
747D79.7Confident75.1Confident46 Ų4678.1 Ų78.125%0.24640%0.398CS..Hα-helixtrans-66.3-44.2173.2-72.2-28.1000111.3Q714 A743 R744 M749 R750 E751Q714-D747 PolarHBondContact NE2-OD2 3.03Å; A743-D747 PolarHBondContact O-N 2.86Å; R744-D747 PolarHBondContact O-N 3.37Å; D747-M749 PolarHBondContact O-N 2.79Å; D747-R750 PolarHBondContact O-N 2.98Å; D747-R750 IonicContact OD1-CZ 3.92Å; D747-R750 VanDerWaalsContact OD1-CZ 3.3Å; D747-R750 IonicContact OD1-NH1 3.62Å; D747-R750 PolarHBondContact OD1-NH1 3.28Å; D747-R750 IonicContact OD1-NH2 2.69Å; D747-R750 PolarHBondContact OD1-NH2 2.82Å; D747-E751 WeakPolarHBondContact O-CG 3.43Å; D747-E751 PolarHBondContact O-N 3.43Å
748E80Confident73Confident97 Ų9785.4 Ų85.445%0.45343%0.431SS..Hα-helixtrans-61-40.8175.6-70.8172.8-174.200111.9R744 M745 E751 S752R744-E748 WeakPolarHBondContact CG-OE1 2.82Å; R744-E748 IonicContact CZ-OE1 3.05Å; R744-E748 IonicContact NE-OE1 3.11Å; R744-E748 PolarHBondContact NE-OE1 3.48Å; R744-E748 IonicContact NH2-OE1 3.72Å; R744-E748 PolarHBondContact NH2-OE1 2.76Å; R744-E748 WeakPolarHBondContact O-CG 3.37Å; R744-E748 PolarHBondContact O-N 2.96Å; M745-E748 PolarHBondContact O-N 2.79Å; E748-E751 PolarHBondContact O-N 2.83Å; E748-S752 PolarHBondContact O-N 2.92Å
749M70.9Confident70.7Confident73 Ų7388.2 Ų88.236%0.3645%0.45SS..Hα-helixtrans-64.1-43.7174.2-75.2-176.870.100111.9M745 D747 E751 S752 E753M745-M749 WeakPolarHBondContact O-CB 3.29Å; M745-M749 VanDerWaalsContact O-CG 3.31Å; M745-M749 WeakPolarHBondContact O-CG 3.42Å; M745-M749 PolarHBondContact O-N 2.7Å; D747-M749 PolarHBondContact O-N 2.79Å; M749-E751 VanDerWaalsContact C-N 3.31Å; M749-E751 PolarHBondContact O-N 2.78Å; M749-S752 PolarHBondContact O-N 3.23Å; M749-S752 VanDerWaalsContact O-N 3.12Å; M749-S752 PolarHBondContact O-OG 3.03Å; M749-E753 PolarHBondContact O-N 3.1Å
750R71.4Confident68.9Low158 Ų15890 Ų9060%0.59647%0.469SS*.Hα-helixtrans-63.5-36.4178.6-173.4177.565.5-145-10112.3N746 D747 S752N746-R750 WeakPolarHBondContact O-CB 3.37Å; N746-R750 PolarHBondContact O-N 3.33Å; D747-R750 PolarHBondContact O-N 2.98Å; D747-R750 IonicContact OD1-CZ 3.92Å; D747-R750 VanDerWaalsContact OD1-CZ 3.3Å; D747-R750 IonicContact OD1-NH1 3.62Å; D747-R750 PolarHBondContact OD1-NH1 3.28Å; D747-R750 IonicContact OD1-NH2 2.69Å; D747-R750 PolarHBondContact OD1-NH2 2.82Å; R750-S752 VanDerWaalsContact C-N 3.31Å
751E69.3Low67.5Low162 Ų16292.3 Ų92.376%0.75748%0.481SS*.Hα-helixtrans-68.8-29.7174.8-73.2179.6-176.900112.5D747 E748 M749D747-E751 WeakPolarHBondContact O-CG 3.43Å; D747-E751 PolarHBondContact O-N 3.43Å; E748-E751 PolarHBondContact O-N 2.83Å; M749-E751 VanDerWaalsContact C-N 3.31Å; M749-E751 PolarHBondContact O-N 2.78Å
752S66.9Low66.2Low96 Ų9689.9 Ų89.967%0.67148%0.483SS*.Hα-helixtrans-80.3-22.8179.975.30000115.2E748 M749 R750E748-S752 PolarHBondContact O-N 2.92Å; M749-S752 PolarHBondContact O-N 3.23Å; M749-S752 VanDerWaalsContact O-N 3.12Å; M749-S752 PolarHBondContact O-OG 3.03Å; R750-S752 VanDerWaalsContact C-N 3.31Å
753E59.4Low65.4Low113 Ų11391.9 Ų91.953%0.52850%0.497SS..SBendtrans-92.8-2.8-173.4-72-165.5162.200115.7M749M749-E753 PolarHBondContact O-N 3.1Å
754G54.9Low65.1Low42 Ų4293.4 Ų93.443%0.43350%0.503SS..  trans64.5179178.900000114.6F756 G757G754-F756 PolarHBondContact O-N 3.25Å; G754-G757 PolarHBondContact O-N 2.68Å
755P48.2Very low64.7Low127 Ų12791.2 Ų91.283%0.82550%0.499SS*.THydrogen-bonded Turntrans-69.9-3.7-164.2-17.530.4000116.3
756F51.4Low64.5Low202 Ų20291.7 Ų91.789%0.88650%0.503SS*.THydrogen-bonded Turntrans-120.911-174.6-63.6-76.9000113.7G754G754-F756 PolarHBondContact O-N 3.25Å
757G48.1Very low64.5Low37 Ų3792.9 Ų92.938%0.38151%0.509SS..  trans-68.1145174.200000113.1G754G754-G757 PolarHBondContact O-N 2.68Å
758Q46.6Very low64.7Low173 Ų17390.8 Ų90.881%0.80850%0.498SS*.  trans-65.5150.3178.2-72.7-169.6-3.900111.2G760Q758-G760 PolarHBondContact O-N 3.18Å
759P43.1Very low64.9Low123 Ų12393.4 Ų93.480%0.79950%0.503SS*.SBendtrans-73.4104.6-17528.2-31.8000111.9
760G53Low65.5Low39 Ų3995.2 Ų95.240%0.40251%0.511SS..  trans80.1136.8153.200000116.6Q758 T762Q758-G760 PolarHBondContact O-N 3.18Å; G760-T762 PolarHBondContact O-N 3.29Å
761D60.6Low66.2Low50 Ų5088.6 Ų88.627%0.26749%0.486SS..  trans-55.1120.3165.8-176.7-10.2000109T763 Y764 I765D761-T763 PolarHBondContact O-N 3.31Å; D761-T763 WeakPolarHBondContact OD1-CB 3.31Å; D761-T763 PolarHBondContact OD1-N 2.77Å; D761-T763 PolarHBondContact OD1-OG1 3.3Å; D761-Y764 WeakPolarHBondContact O-CB 3.19Å; D761-Y764 PolarHBondContact O-N 2.92Å; D761-I765 PolarHBondContact O-N 3.11Å
762T63.5Low66.9Low103 Ų10380.9 Ų80.963%0.63245%0.45SS*.Hα-helixtrans-52.3-29.6178.548.20000112G760 I765 D766G760-T762 PolarHBondContact O-N 3.29Å; T762-I765 PolarHBondContact O-N 2.92Å; T762-D766 WeakPolarHBondContact O-CB 3.31Å; T762-D766 VanDerWaalsContact O-CG 3.25Å; T762-D766 PolarHBondContact O-N 3.07Å
763T71.1Confident67.7Low73 Ų7380.8 Ų80.845%0.44844%0.439SS..Hα-helixtrans-67-41.9177.7-41.90000112.2D761 D766 I767D761-T763 PolarHBondContact O-N 3.31Å; D761-T763 WeakPolarHBondContact OD1-CB 3.31Å; D761-T763 PolarHBondContact OD1-N 2.77Å; D761-T763 PolarHBondContact OD1-OG1 3.3Å; T763-D766 PolarHBondContact O-N 3.21Å; T763-I767 HydrophobicContact CG2-CD1 3.99Å; T763-I767 VanDerWaalsContact O-CG1 3.28Å; T763-I767 WeakPolarHBondContact O-CG1 3.4Å; T763-I767 PolarHBondContact O-N 3.43Å; T763-I767 VanDerWaalsContact O-N 3.08Å
764Y78.4Confident68.9Low34 Ų3477.3 Ų77.313%0.13342%0.423CS..Hα-helixtrans-61.6-48176172.3-96.8000110.6L742 A743 N746 D761 D766 I767 F768L742-Y764 HydrophobicContact CB-CD2 4.38Å; A743-Y764 HydrophobicContact CB-CE2 4.08Å; N746-Y764 HydrophobicContact CB-CD1 4.49Å; N746-Y764 HydrophobicContact CB-CD2 3.72Å; N746-Y764 HydrophobicContact CB-CE2 3.95Å; N746-Y764 HydrophobicContact CB-CG 4.03Å; D761-Y764 WeakPolarHBondContact O-CB 3.19Å; D761-Y764 PolarHBondContact O-N 2.92Å; Y764-D766 VanDerWaalsContact C-N 3.34Å; Y764-D766 PolarHBondContact O-N 2.92Å; Y764-I767 PolarHBondContact O-N 3.15Å; Y764-F768 AromaticContact CD2-CD2 3.7Å; Y764-F768 HydrophobicContact CD2-CD2 3.7Å; Y764-F768 AromaticContact CD2-CE2 3.61Å; Y764-F768 HydrophobicContact CD2-CE2 3.61Å; Y764-F768 HydrophobicContact CE1-CD2 4.36Å; Y764-F768 AromaticContact CE2-CD2 3.43Å; Y764-F768 HydrophobicContact CE2-CD2 3.43Å; Y764-F768 VanDerWaalsContact CE2-CD2 3.43Å; Y764-F768 HydrophobicContact CE2-CE1 4.44Å; Y764-F768 AromaticContact CE2-CE2 3.07Å; Y764-F768 HydrophobicContact CE2-CE2 3.07Å; Y764-F768 HydrophobicContact CE2-CG 4.26Å; Y764-F768 AromaticContact CE2-CZ 3.65Å; Y764-F768 HydrophobicContact CE2-CZ 3.65Å; Y764-F768 HydrophobicContact CG-CD2 4.26Å; Y764-F768 AromaticContact CZ-CD2 3.79Å; Y764-F768 AromaticContact CZ-CE2 3.71Å; Y764-F768 WeakPolarHBondContact O-CB 2.95Å; Y764-F768 WeakPolarHBondContact O-CD2 3.18Å; Y764-F768 PolarHBondContact O-N 2.89Å
765I77.6Confident70.2Confident69 Ų6975.6 Ų75.635%0.35441%0.405SS..Hα-helixtrans-62.5-41.9-179.2-63.1174.6000111.2D761 T762 R769D761-I765 PolarHBondContact O-N 3.11Å; T762-I765 PolarHBondContact O-N 2.92Å; I765-R769 VanDerWaalsContact O-CB 3.25Å; I765-R769 WeakPolarHBondContact O-CB 3.36Å; I765-R769 PolarHBondContact O-N 3.09Å
766D79.1Confident71.8Confident89 Ų8970 Ų7048%0.47637%0.369SS..Hα-helixtrans-68.2-44.2-178.9-74.7-20.7000112.2T762 T763 Y764 R769 E770T762-D766 WeakPolarHBondContact O-CB 3.31Å; T762-D766 VanDerWaalsContact O-CG 3.25Å; T762-D766 PolarHBondContact O-N 3.07Å; T763-D766 PolarHBondContact O-N 3.21Å; Y764-D766 VanDerWaalsContact C-N 3.34Å; Y764-D766 PolarHBondContact O-N 2.92Å; D766-R769 WeakPolarHBondContact O-CB 3.38Å; D766-R769 PolarHBondContact O-N 3.1Å; D766-E770 PolarHBondContact O-N 3.38Å
767I80.4Confident73.1Confident44 Ų4464 Ų6423%0.22634%0.344CS..Hα-helixtrans-63.5-47.8177.8-67.3169.1000110.6L742 T763 Y764 R769 E770 F771L742-I767 HydrophobicContact CD1-CB 4.36Å; L742-I767 HydrophobicContact CD1-CD1 3.7Å; L742-I767 HydrophobicContact CD1-CG2 3.76Å; L742-I767 HydrophobicContact CD2-CD1 4.47Å; T763-I767 HydrophobicContact CG2-CD1 3.99Å; T763-I767 VanDerWaalsContact O-CG1 3.28Å; T763-I767 WeakPolarHBondContact O-CG1 3.4Å; T763-I767 PolarHBondContact O-N 3.43Å; T763-I767 VanDerWaalsContact O-N 3.08Å; Y764-I767 PolarHBondContact O-N 3.15Å; I767-R769 PolarHBondContact O-N 3.41Å; I767-E770 WeakPolarHBondContact O-CB 3.31Å; I767-E770 PolarHBondContact O-N 3.35Å; I767-E770 VanDerWaalsContact O-N 3.11Å; I767-F771 HydrophobicContact CG2-CD2 3.77Å; I767-F771 HydrophobicContact CG2-CE2 3.79Å; I767-F771 WeakPolarHBondContact O-CD2 3.3Å; I767-F771 PolarHBondContact O-N 2.96Å
768F84.5Confident74.6Confident3 Ų365.6 Ų65.61%0.01334%0.343CS..Hα-helixtrans-65.6-27.6178.3-90.6-98.9000112.8C705 L708 K709 L739 L742 A743 Y764 S772C705-F768 VanDerWaalsContact SG-CD1 3.59Å; L708-F768 HydrophobicContact CB-CE1 3.73Å; L708-F768 HydrophobicContact CB-CZ 4.15Å; L708-F768 HydrophobicContact CD1-CE1 4.12Å; L708-F768 HydrophobicContact CD1-CZ 3.97Å; K709-F768 VanDerWaalsContact CE-O 3.28Å; K709-F768 WeakPolarHBondContact CE-O 3.47Å; K709-F768 HydrophobicContact CG-CD1 3.84Å; K709-F768 PolarHBondContact NZ-O 3.27Å; L739-F768 HydrophobicContact CB-CZ 4.34Å; L739-F768 HydrophobicContact CD2-CD1 4.29Å; L739-F768 HydrophobicContact CD2-CD2 4.25Å; L739-F768 HydrophobicContact CD2-CE1 3.91Å; L739-F768 HydrophobicContact CD2-CE2 3.84Å; L739-F768 HydrophobicContact CD2-CG 4.46Å; L739-F768 HydrophobicContact CD2-CZ 3.67Å; L742-F768 HydrophobicContact CB-CE2 4.26Å; A743-F768 HydrophobicContact CB-CZ 4.07Å; Y764-F768 AromaticContact CD2-CD2 3.7Å; Y764-F768 HydrophobicContact CD2-CD2 3.7Å; Y764-F768 AromaticContact CD2-CE2 3.61Å; Y764-F768 HydrophobicContact CD2-CE2 3.61Å; Y764-F768 HydrophobicContact CE1-CD2 4.36Å; Y764-F768 AromaticContact CE2-CD2 3.43Å; Y764-F768 HydrophobicContact CE2-CD2 3.43Å; Y764-F768 VanDerWaalsContact CE2-CD2 3.43Å; Y764-F768 HydrophobicContact CE2-CE1 4.44Å; Y764-F768 AromaticContact CE2-CE2 3.07Å; Y764-F768 HydrophobicContact CE2-CE2 3.07Å; Y764-F768 HydrophobicContact CE2-CG 4.26Å; Y764-F768 AromaticContact CE2-CZ 3.65Å; Y764-F768 HydrophobicContact CE2-CZ 3.65Å; Y764-F768 HydrophobicContact CG-CD2 4.26Å; Y764-F768 AromaticContact CZ-CD2 3.79Å; Y764-F768 AromaticContact CZ-CE2 3.71Å; Y764-F768 WeakPolarHBondContact O-CB 2.95Å; Y764-F768 WeakPolarHBondContact O-CD2 3.18Å; Y764-F768 PolarHBondContact O-N 2.89Å; F768-S772 WeakPolarHBondContact O-CB 3.5Å; F768-S772 PolarHBondContact O-N 2.95Å; F768-S772 PolarHBondContact O-OG 3.43Å
769R84.4Confident76.1Confident152 Ų15260 Ų6057%0.57432%0.322SS*.Hα-helixtrans-68.9-41.7171.3-172.2-177.8-60.3-179.42.5111.5I765 D766 I767 S772 H773I765-R769 VanDerWaalsContact O-CB 3.25Å; I765-R769 WeakPolarHBondContact O-CB 3.36Å; I765-R769 PolarHBondContact O-N 3.09Å; D766-R769 WeakPolarHBondContact O-CB 3.38Å; D766-R769 PolarHBondContact O-N 3.1Å; I767-R769 PolarHBondContact O-N 3.41Å; R769-S772 PolarHBondContact O-N 3.46Å; R769-H773 PolarHBondContact O-N 2.62Å
770E84.1Confident77.6Confident110 Ų11060.1 Ų60.151%0.51431%0.312SS..Hα-helixtrans-64.1-47.6178-169.6175.2-172.400111.9D766 I767 S772 H773 M774D766-E770 PolarHBondContact O-N 3.38Å; I767-E770 WeakPolarHBondContact O-CB 3.31Å; I767-E770 PolarHBondContact O-N 3.35Å; I767-E770 VanDerWaalsContact O-N 3.11Å; E770-S772 VanDerWaalsContact C-N 3.32Å; E770-S772 PolarHBondContact O-N 2.96Å; E770-H773 PolarHBondContact O-N 2.85Å; E770-H773 VanDerWaalsContact O-N 3.16Å; E770-M774 HydrophobicContact CG-CE 4.32Å; E770-M774 WeakPolarHBondContact O-CG 2.87Å; E770-M774 PolarHBondContact O-N 3.21Å
771F85.4Confident78.7Confident20 Ų2064.2 Ų64.29%0.08832%0.319CS..Hα-helixtrans-60.5-40176.1-85.3-78.6000112.7T701 C705 D735 L739 I767 M774 A775 L782T701-F771 HydrophobicContact CG2-CD1 4.02Å; T701-F771 HydrophobicContact CG2-CE1 4.02Å; C705-F771 HydrophobicContact CB-CB 4.35Å; D735-F771 HydrophobicContact CB-CE1 3.98Å; D735-F771 HydrophobicContact CB-CZ 4.28Å; L739-F771 HydrophobicContact CD1-CD1 4.19Å; L739-F771 HydrophobicContact CD1-CE1 4.48Å; L739-F771 HydrophobicContact CD1-CG 4.28Å; L739-F771 HydrophobicContact CD2-CB 4.34Å; L739-F771 HydrophobicContact CD2-CD2 3.64Å; L739-F771 HydrophobicContact CD2-CE2 4.05Å; L739-F771 HydrophobicContact CD2-CG 3.94Å; L739-F771 HydrophobicContact CG-CD2 4.3Å; L739-F771 HydrophobicContact CG-CE2 4.35Å; L739-F771 HydrophobicContact CG-CG 4.44Å; I767-F771 HydrophobicContact CG2-CD2 3.77Å; I767-F771 HydrophobicContact CG2-CE2 3.79Å; I767-F771 WeakPolarHBondContact O-CD2 3.3Å; I767-F771 PolarHBondContact O-N 2.96Å; F771-M774 HydrophobicContact CB-CE 4.47Å; F771-M774 HydrophobicContact CD1-CE 3.56Å; F771-M774 HydrophobicContact CD2-CE 4.43Å; F771-M774 HydrophobicContact CE1-CE 3.78Å; F771-M774 HydrophobicContact CG-CE 3.92Å; F771-M774 HydrophobicContact CZ-CE 4.33Å; F771-M774 PolarHBondContact O-N 3.01Å; F771-A775 VanDerWaalsContact O-CB 3.31Å; F771-A775 WeakPolarHBondContact O-CB 3.13Å; F771-A775 PolarHBondContact O-N 2.85Å; F771-L782 HydrophobicContact CD1-CD2 3.77Å; F771-L782 HydrophobicContact CE1-CD2 3.91Å
772S84.5Confident79.4Confident0 Ų062.6 Ų62.60%031%0.31CS..Hα-helixtrans-62.8-42.6173.5-91.10000113.4E471 K709 F768 R769 E770 M774 A775 S776E471-S772 VanDerWaalsContact CD-OG 3.3Å; E471-S772 WeakPolarHBondContact OE1-CA 3.34Å; E471-S772 WeakPolarHBondContact OE1-CB 3.43Å; E471-S772 PolarHBondContact OE1-OG 3.38Å; E471-S772 PolarHBondContact OE2-OG 3.45Å; K709-S772 VanDerWaalsContact NZ-CB 3.31Å; K709-S772 PolarHBondContact NZ-OG 2.9Å; F768-S772 WeakPolarHBondContact O-CB 3.5Å; F768-S772 PolarHBondContact O-N 2.95Å; F768-S772 PolarHBondContact O-OG 3.43Å; R769-S772 PolarHBondContact O-N 3.46Å; E770-S772 VanDerWaalsContact C-N 3.32Å; E770-S772 PolarHBondContact O-N 2.96Å; S772-M774 VanDerWaalsContact C-N 3.33Å; S772-M774 PolarHBondContact O-N 3.43Å; S772-A775 PolarHBondContact O-N 3.36Å; S772-S776 WeakPolarHBondContact O-CB 3.19Å; S772-S776 PolarHBondContact O-N 3.26Å; S772-S776 PolarHBondContact O-OG 2.9Å; S772-S776 VanDerWaalsContact O-OG 3.11Å
773H83.8Confident79.4Confident94 Ų9463.9 Ų63.944%0.43531%0.307SS..Hα-helixtrans-64.2-41.3176.6-169.7-80.8000111.3R769 E770 H777R769-H773 PolarHBondContact O-N 2.62Å; E770-H773 PolarHBondContact O-N 2.85Å; E770-H773 VanDerWaalsContact O-N 3.16Å; H773-H777 AromaticContact CD2-CE1 3.85Å; H773-H777 AromaticContact CD2-ND1 3.62Å; H773-H777 AromaticContact CE1-ND1 3.72Å; H773-H777 AromaticContact CG-ND1 3.84Å; H773-H777 AromaticContact ND1-ND1 3.9Å; H773-H777 AromaticContact NE2-CE1 3.78Å; H773-H777 AromaticContact NE2-ND1 3.54Å; H773-H777 WeakPolarHBondContact O-CB 3.48Å; H773-H777 PolarHBondContact O-N 2.96Å; H773-H777 PolarHBondContact O-ND1 2.82Å
774M84.7Confident78.7Confident39 Ų3970.2 Ų70.219%0.19232%0.323CS..Hα-helixtrans-63.6-46.6174.1-70.3-168.1-67.900111.9E770 F771 S772 S776 N778 L782E770-M774 HydrophobicContact CG-CE 4.32Å; E770-M774 WeakPolarHBondContact O-CG 2.87Å; E770-M774 PolarHBondContact O-N 3.21Å; F771-M774 HydrophobicContact CB-CE 4.47Å; F771-M774 HydrophobicContact CD1-CE 3.56Å; F771-M774 HydrophobicContact CD2-CE 4.43Å; F771-M774 HydrophobicContact CE1-CE 3.78Å; F771-M774 HydrophobicContact CG-CE 3.92Å; F771-M774 HydrophobicContact CZ-CE 4.33Å; F771-M774 PolarHBondContact O-N 3.01Å; S772-M774 VanDerWaalsContact C-N 3.33Å; S772-M774 PolarHBondContact O-N 3.43Å; M774-S776 VanDerWaalsContact C-N 3.31Å; M774-S776 PolarHBondContact O-N 3.41Å; M774-N778 CarbonylContact O-C 3.54Å; M774-N778 VanDerWaalsContact O-CA 3.25Å; M774-N778 WeakPolarHBondContact O-CA 3.3Å; M774-N778 PolarHBondContact O-N 3.03Å; M774-L782 HydrophobicContact CB-CD1 4.28Å; M774-L782 HydrophobicContact CB-CD2 4.2Å; M774-L782 HydrophobicContact CB-CG 4.22Å; M774-L782 HydrophobicContact CE-CD2 3.9Å; M774-L782 HydrophobicContact SD-CD2 4.35Å
775A82.5Confident77Confident7 Ų779.9 Ų79.96%0.05836%0.359CS..Hα-helixtrans-62.3-38.7-179.700000112.6L668 F771 S772 L782L668-A775 HydrophobicContact CD2-CB 3.81Å; F771-A775 VanDerWaalsContact O-CB 3.31Å; F771-A775 WeakPolarHBondContact O-CB 3.13Å; F771-A775 PolarHBondContact O-N 2.85Å; S772-A775 PolarHBondContact O-N 3.36Å; A775-L782 HydrophobicContact CB-CD1 3.72Å
776S80.6Confident75.1Confident10 Ų1080.4 Ų80.47%0.0737%0.369CS..Hα-helixtrans-81-39-176.2-63.60000113.3P470 E471 S772 M774P470-S776 WeakPolarHBondContact CB-OG 3.47Å; E471-S776 WeakPolarHBondContact CG-OG 3.3Å; E471-S776 PolarHBondContact N-OG 3.09Å; E471-S776 PolarHBondContact OE1-OG 3.37Å; S772-S776 WeakPolarHBondContact O-CB 3.19Å; S772-S776 PolarHBondContact O-N 3.26Å; S772-S776 PolarHBondContact O-OG 2.9Å; S772-S776 VanDerWaalsContact O-OG 3.11Å; M774-S776 VanDerWaalsContact C-N 3.31Å; M774-S776 PolarHBondContact O-N 3.41Å
777H79.7Confident72.8Confident75 Ų7583.9 Ų83.935%0.34739%0.386SS..Hα-helixtrans-106.8-27.5-172.8-59.894000114.5H773H773-H777 AromaticContact CD2-CE1 3.85Å; H773-H777 AromaticContact CD2-ND1 3.62Å; H773-H777 AromaticContact CE1-ND1 3.72Å; H773-H777 AromaticContact CG-ND1 3.84Å; H773-H777 AromaticContact ND1-ND1 3.9Å; H773-H777 AromaticContact NE2-CE1 3.78Å; H773-H777 AromaticContact NE2-ND1 3.54Å; H773-H777 WeakPolarHBondContact O-CB 3.48Å; H773-H777 PolarHBondContact O-N 2.96Å; H773-H777 PolarHBondContact O-ND1 2.82Å
778N79.3Confident70.5Confident70 Ų7089.9 Ų89.937%0.37441%0.413SS..  trans-139.956.7-175.5-61.7-75.8000112M774 E780 K781M774-N778 CarbonylContact O-C 3.54Å; M774-N778 VanDerWaalsContact O-CA 3.25Å; M774-N778 WeakPolarHBondContact O-CA 3.3Å; M774-N778 PolarHBondContact O-N 3.03Å; N778-E780 PolarHBondContact O-N 3.01Å; N778-K781 HydrophobicContact CB-CD 3.9Å; N778-K781 HydrophobicContact CB-CG 4.04Å; N778-K781 WeakPolarHBondContact O-CB 3.26Å; N778-K781 PolarHBondContact O-N 2.99Å
779P77Confident67.8Low57 Ų5798.4 Ų98.437%0.3745%0.45SS..G310 helixtrans-59.5-25.7-172.323.6-34.4000113.3K781 L782 K783P779-K781 VanDerWaalsContact C-N 3.25Å; P779-K781 PolarHBondContact O-N 3.44Å; P779-L782 WeakPolarHBondContact O-CB 3.24Å; P779-L782 PolarHBondContact O-N 3.18Å; P779-L782 VanDerWaalsContact O-N 3.14Å; P779-K783 PolarHBondContact O-N 3.23Å
780E76.1Confident65.1Low125 Ų125102 Ų10258%0.58446%0.464SS*.G310 helixtrans-63.2-28175.9-57-52.5139.500113.3N778 L782 K783N778-E780 PolarHBondContact O-N 3.01Å; E780-L782 PolarHBondContact O-N 2.94Å; E780-K783 VanDerWaalsContact CD-NZ 3.33Å; E780-K783 PolarHBondContact O-N 3.24Å; E780-K783 VanDerWaalsContact O-N 3.09Å; E780-K783 IonicContact OE1-NZ 3.4Å; E780-K783 PolarHBondContact OE1-NZ 3.33Å; E780-K783 WeakPolarHBondContact OE2-CD 3.46Å; E780-K783 IonicContact OE2-NZ 2.71Å; E780-K783 PolarHBondContact OE2-NZ 3.41Å; E780-K783 VanDerWaalsContact OE2-NZ 3.17Å
781K76.1Confident62.5Low124 Ų124103.9 Ų103.954%0.53947%0.473SS..G310 helixtrans-65.7-24.6176.3-70-173.3177.3-173.50112.7N778 P779N778-K781 HydrophobicContact CB-CD 3.9Å; N778-K781 HydrophobicContact CB-CG 4.04Å; N778-K781 WeakPolarHBondContact O-CB 3.26Å; N778-K781 PolarHBondContact O-N 2.99Å; P779-K781 VanDerWaalsContact C-N 3.25Å; P779-K781 PolarHBondContact O-N 3.44Å
782L74.1Confident60Low16 Ų16108.2 Ų108.28%0.08451%0.506CS..G310 helixtrans-89.1-11.5176.8-59.7177.6000112.4T701 F771 M774 A775 P779 E780 R784T701-L782 HydrophobicContact CG2-CD2 4.17Å; F771-L782 HydrophobicContact CD1-CD2 3.77Å; F771-L782 HydrophobicContact CE1-CD2 3.91Å; M774-L782 HydrophobicContact CB-CD1 4.28Å; M774-L782 HydrophobicContact CB-CD2 4.2Å; M774-L782 HydrophobicContact CB-CG 4.22Å; M774-L782 HydrophobicContact CE-CD2 3.9Å; M774-L782 HydrophobicContact SD-CD2 4.35Å; A775-L782 HydrophobicContact CB-CD1 3.72Å; P779-L782 WeakPolarHBondContact O-CB 3.24Å; P779-L782 PolarHBondContact O-N 3.18Å; P779-L782 VanDerWaalsContact O-N 3.14Å; E780-L782 PolarHBondContact O-N 2.94Å; L782-R784 VanDerWaalsContact C-N 3.27Å; L782-R784 PolarHBondContact O-N 3.32Å
783K63.2Low57.4Low131 Ų131117 Ų11757%0.5754%0.544SS*.  trans-89.750.1176.2-63-171.3-163.1155.10111.8P779 E780 R785P779-K783 PolarHBondContact O-N 3.23Å; E780-K783 VanDerWaalsContact CD-NZ 3.33Å; E780-K783 PolarHBondContact O-N 3.24Å; E780-K783 VanDerWaalsContact O-N 3.09Å; E780-K783 IonicContact OE1-NZ 3.4Å; E780-K783 PolarHBondContact OE1-NZ 3.33Å; E780-K783 WeakPolarHBondContact OE2-CD 3.46Å; E780-K783 IonicContact OE2-NZ 2.71Å; E780-K783 PolarHBondContact OE2-NZ 3.41Å; E780-K783 VanDerWaalsContact OE2-NZ 3.17Å; K783-R785 VanDerWaalsContact C-N 3.33Å; K783-R785 PolarHBondContact O-N 3.23Å
784R57.7Low54.9Low206 Ų206127.8 Ų127.878%0.77758%0.581SS**  trans-75.789.3168.6-66.5-175.1-169.6-168.13.2108.4L782 S786L782-R784 VanDerWaalsContact C-N 3.27Å; L782-R784 PolarHBondContact O-N 3.32Å; R784-S786 PolarHBondContact O-N 3.29Å
785R41.5Very low53.4Low236 Ų236132.2 Ų132.289%0.89160%0.6SS**  trans-62.9123.3166.5-84.8-176.2173178.3-2.6108.4K783 L787K783-R785 VanDerWaalsContact C-N 3.33Å; K783-R785 PolarHBondContact O-N 3.23Å; R785-L787 PolarHBondContact O-N 3.37Å
786S39.1Very low51.9Low80 Ų80138.8 Ų138.856%0.55963%0.629SS**  trans-49108.7168.7178.50000109.8R784 H788R784-S786 PolarHBondContact O-N 3.29Å; S786-H788 PolarHBondContact O-N 3.2Å
787L31Very low50.3Low162 Ų162145.9 Ų145.985%0.84866%0.66SS**  trans-63.9123.4164-81.7160.7000107.1R785 F789R785-L787 PolarHBondContact O-N 3.37Å; L787-F789 PolarHBondContact O-N 2.75Å
788H30.8Very low48.5Very low170 Ų170150.1 Ų150.179%0.78768%0.678SS**  trans-9.2101.7171.8-78.519.5000116.2S786 R790S786-H788 PolarHBondContact O-N 3.2Å; H788-R790 PolarHBondContact O-N 2.85Å
789F28.9Very low46.6Very low182 Ų182155.1 Ų155.180%0.79870%0.697SS**  trans-89.882.5150.3-102.5-90.1000108.4L787 H791L787-F789 PolarHBondContact O-N 2.75Å; F789-H791 PolarHBondContact O-N 3.23Å
790R26.8Very low44.6Very low227 Ų227161.7 Ų161.786%0.85772%0.719SS**  trans-72.7102.8155.2-93.9-173.3175.8178.3-1.2106.5H788 S792H788-R790 PolarHBondContact O-N 2.85Å; R790-S792 PolarHBondContact O-N 3.23Å; R790-S792 VanDerWaalsContact O-N 3.11Å
791H29.6Very low42.3Very low151 Ų151164.3 Ų164.370%0.69973%0.729SS**  trans-56.4111.2165.8-100.3-88.7000109.2F789 F793F789-H791 PolarHBondContact O-N 3.23Å; H791-F793 AromaticContact ND1-CD2 3.98Å; H791-F793 PolarHBondContact O-N 3.43Å
792S32.8Very low39.7Very low111 Ų111167.4 Ų167.478%0.77674%0.743SS**  trans-83.996.5152.6-1790000106.7R790R790-S792 PolarHBondContact O-N 3.23Å; R790-S792 VanDerWaalsContact O-N 3.11Å
793F31Very low36.9Very low183 Ų183180 Ų18080%0.80380%0.798SS**  trans-149.5100.6157.9-91.6-76.1000108.3H791H791-F793 AromaticContact ND1-CD2 3.98Å; H791-F793 PolarHBondContact O-N 3.43Å
794R29.9Very low34.5Very low321 Ų321184.5 Ų184.5100%1.21182%0.819SS**  trans51.40167.5-84.1-174.6173.9-178.8-1.4119.5

Retrieved 794 of 794 residues in 1267.5 ms (Link to these results)

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