A0A087YND5_POEFO Loading...

TBC1 domain family member 8B

Involved in vesicular recycling, probably as a RAB11B GTPase-activating protein.

AlphaFold DB , UniProt , Accession A0A087YND5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,136 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
1M70.6Confident71.2Confident20 Ų2066 Ų6610%0.09932%0.32CS..  0152.7062.9178.3-72.900111.7L3 A78 C79 E85 H89 R140 L144M1-L3 HydrophobicContact CE-CD2 4.07Å; M1-A78 CarbonylContact O-C 3.53Å; M1-A78 VanDerWaalsContact O-CA 3.27Å; M1-A78 WeakPolarHBondContact O-CA 3.26Å; M1-A78 WeakPolarHBondContact O-CB 3.4Å; M1-C79 PolarHBondContact N-O 3.39Å; M1-C79 PolarHBondContact O-N 3.37Å; M1-C79 VanDerWaalsContact O-O 3.09Å; M1-E85 PolarHBondContact N-OE1 2.86Å; M1-H89 WeakPolarHBondContact CA-NE2 3.19Å; M1-H89 PolarHBondContact N-CD2 2.9Å; M1-H89 PolarHBondContact N-NE2 2.89Å; M1-R140 HydrophobicContact CE-CB 4.36Å; M1-R140 HydrophobicContact CE-CG 4.44Å; M1-R140 HydrophobicContact SD-CG 4.4Å; M1-L144 HydrophobicContact SD-CD1 4.39Å
2W82.4Confident69.7Low13 Ų1367.8 Ų67.85%0.04933%0.332CS..EExtended strand (participates in β ladder)trans-72.6156.6165.5-57.4110.4000111.9A78 H89 W92 L93 I118 L121 I122W2-A78 HydrophobicContact CE3-CB 3.85Å; W2-A78 HydrophobicContact CZ3-CB 4.18Å; W2-H89 AromaticContact CD2-ND1 3.67Å; W2-H89 AromaticContact CE2-CE1 3.87Å; W2-H89 AromaticContact CE2-ND1 3.21Å; W2-H89 HydrophobicContact CH2-CB 3.89Å; W2-H89 AromaticContact CH2-ND1 3.86Å; W2-H89 WeakPolarHBondContact CH2-O 3.28Å; W2-H89 HydrophobicContact CZ2-CB 4.21Å; W2-H89 AromaticContact CZ2-ND1 3.34Å; W2-H89 VanDerWaalsContact CZ2-ND1 3.34Å; W2-H89 WeakPolarHBondContact CZ2-ND1 3.02Å; W2-H89 HydrophobicContact CZ3-CB 4.15Å; W2-H89 AromaticContact NE1-CE1 3.74Å; W2-H89 AromaticContact NE1-ND1 3.53Å; W2-W92 HydrophobicContact CH2-CD2 4.44Å; W2-W92 AromaticContact CH2-CE3 3.78Å; W2-W92 HydrophobicContact CH2-CE3 3.78Å; W2-W92 HydrophobicContact CZ2-CB 4.28Å; W2-W92 HydrophobicContact CZ2-CD2 4.01Å; W2-W92 AromaticContact CZ2-CE3 3.72Å; W2-W92 HydrophobicContact CZ2-CE3 3.72Å; W2-W92 HydrophobicContact CZ2-CG 4.24Å; W2-W92 HydrophobicContact CZ2-CZ3 4.48Å; W2-L93 HydrophobicContact CH2-CD1 4.5Å; W2-L93 HydrophobicContact CH2-CD2 3.82Å; W2-L93 HydrophobicContact CH2-CG 3.81Å; W2-L93 HydrophobicContact CZ3-CD1 4.23Å; W2-L93 HydrophobicContact CZ3-CD2 3.83Å; W2-L93 HydrophobicContact CZ3-CG 3.97Å; W2-I118 HydrophobicContact CB-CG2 4.41Å; W2-I118 HydrophobicContact CD2-CD1 4.28Å; W2-I118 HydrophobicContact CE3-CD1 3.59Å; W2-I118 HydrophobicContact CH2-CD1 4.49Å; W2-I118 HydrophobicContact CZ3-CD1 3.72Å; W2-L121 HydrophobicContact CD2-CD1 4.12Å; W2-L121 HydrophobicContact CG-CB 4.38Å; W2-L121 HydrophobicContact CH2-CD1 4.45Å; W2-L121 HydrophobicContact CZ2-CD1 3.87Å; W2-I122 HydrophobicContact CB-CD1 4.39Å; W2-I122 HydrophobicContact CB-CG1 3.84Å
3L75.9Confident68Low32 Ų3266.8 Ų66.817%0.16834%0.342CS..EExtended strand (participates in β ladder)trans-127.7145.3178.2-65175.1000110.4M1 P5 S76 I77 C79 I118 I122M1-L3 HydrophobicContact CE-CD2 4.07Å; L3-P5 WeakPolarHBondContact O-CD 3.42Å; L3-S76 WeakPolarHBondContact CD1-OG 3.38Å; L3-I77 PolarHBondContact N-O 2.77Å; L3-C79 HydrophobicContact CD1-CB 3.97Å; L3-I118 WeakPolarHBondContact O-CG2 3.34Å; L3-I122 VanDerWaalsContact C-CD1 3.45Å
4K74.3Confident67Low110 Ų11070.5 Ų70.548%0.47836%0.355SS..EExtended strand (participates in β ladder)trans-54.6130.7166-178.2178.2179.5-174.60108.9E6 E137K4-E6 PolarHBondContact O-N 2.71Å; K4-E137 WeakPolarHBondContact CB-OE1 3.42Å; K4-E137 VanDerWaalsContact CB-OE2 3.25Å; K4-E137 WeakPolarHBondContact CB-OE2 3.3Å
5P83.1Confident66.7Low8 Ų875.7 Ų75.75%0.05237%0.374CS..EExtended strand (participates in β ladder)trans-58.3108.9179.3-25.732.7000112.2L3 W75 S76 I77 Q115 I118L3-P5 WeakPolarHBondContact O-CD 3.42Å; P5-W75 HydrophobicContact CB-CE3 4.12Å; P5-S76 WeakPolarHBondContact CA-O 3.43Å; P5-I77 HydrophobicContact CB-CG2 4.49Å; P5-I77 HydrophobicContact CG-CG2 4.42Å; P5-Q115 HydrophobicContact CB-CB 4.31Å; P5-Q115 HydrophobicContact CB-CG 3.62Å; P5-Q115 HydrophobicContact CG-CB 3.94Å; P5-Q115 HydrophobicContact CG-CG 3.78Å; P5-I118 HydrophobicContact CG-CB 4.3Å; P5-I118 HydrophobicContact CG-CG2 4.3Å
6E77.3Confident66.7Low99 Ų9973.5 Ų73.546%0.46336%0.364SS..EExtended strand (participates in β ladder)trans-113.4139.8176.3-73.3-169.5154.500111.1K4 W75 S76K4-E6 PolarHBondContact O-N 2.71Å; E6-W75 CarbonylContact O-C 3.59Å; E6-W75 VanDerWaalsContact O-CA 3.31Å; E6-W75 WeakPolarHBondContact O-CA 3.4Å; E6-S76 PolarHBondContact N-O 3.5Å; E6-S76 PolarHBondContact O-N 3.5Å
7E79.8Confident67.2Low102 Ų10271.1 Ų71.148%0.47735%0.35SS..EExtended strand (participates in β ladder)trans-78.5124.1-174.7-160.8-176.6153.100111.9L9 V73 W75E7-L9 VanDerWaalsContact OE1-CD2 3.28Å; E7-L9 WeakPolarHBondContact OE1-CD2 3.12Å; E7-V73 HydrophobicContact CG-CG1 3.33Å; E7-V73 WeakPolarHBondContact OE1-CG1 3.18Å; E7-W75 HydrophobicContact CB-CE3 4.18Å; E7-W75 HydrophobicContact CB-CH2 3.92Å; E7-W75 HydrophobicContact CB-CZ2 4.43Å; E7-W75 HydrophobicContact CB-CZ3 3.79Å; E7-W75 HydrophobicContact CG-CH2 4.11Å; E7-W75 HydrophobicContact CG-CZ2 4.16Å; E7-W75 HydrophobicContact CG-CZ3 4.39Å
8I73.9Confident68.1Low30 Ų3069.7 Ų69.715%0.15435%0.346CS..EExtended strand (participates in β ladder)trans-106.999.9173.9-51.9-176.3000108.6L10 L65 Y74I8-L10 PolarHBondContact O-N 3.26Å; I8-L10 VanDerWaalsContact O-N 3.15Å; I8-L65 HydrophobicContact CD1-CD1 4.38Å; I8-L65 HydrophobicContact CD1-CD2 3.53Å; I8-Y74 PolarHBondContact N-O 3.21Å
9L55.3Low69.1Low136 Ų13669.4 Ų69.471%0.71235%0.348SS*.SBendtrans-64.1-16.1-179.8-67.8168.6000114.3E7E7-L9 VanDerWaalsContact OE1-CD2 3.28Å; E7-L9 WeakPolarHBondContact OE1-CD2 3.12Å
10L59Low70Confident121 Ų12168.9 Ų68.963%0.63435%0.345SS*.  trans-142.189.1-172.8-72.3168.1000112.5I8 N12 A13I8-L10 PolarHBondContact O-N 3.26Å; I8-L10 VanDerWaalsContact O-N 3.15Å; L10-N12 PolarHBondContact O-N 3.26Å; L10-A13 HydrophobicContact CB-CB 3.88Å; L10-A13 HydrophobicContact CD1-CB 3.92Å; L10-A13 HydrophobicContact CD2-CB 4.39Å; L10-A13 HydrophobicContact CG-CB 4.28Å
11K51.7Low70.9Confident55 Ų5568.6 Ų68.624%0.23934%0.341CS..THydrogen-bonded Turntrans-46.2-35.2178.1-165.9-172.5-163.9164.10114.3Y74K11-Y74 HydrophobicContact CB-CD2 3.87Å; K11-Y74 HydrophobicContact CB-CE2 3.99Å; K11-Y74 HydrophobicContact CB-CG 4.37Å; K11-Y74 HydrophobicContact CD-CD1 4.26Å; K11-Y74 HydrophobicContact CD-CD2 4.26Å; K11-Y74 HydrophobicContact CD-CE1 3.67Å; K11-Y74 HydrophobicContact CD-CE2 3.71Å; K11-Y74 VanDerWaalsContact CD-CZ 3.41Å; K11-Y74 VanDerWaalsContact CE-CZ 3.45Å; K11-Y74 HydrophobicContact CG-CD1 4.21Å; K11-Y74 HydrophobicContact CG-CD2 4.08Å; K11-Y74 HydrophobicContact CG-CE1 4.13Å; K11-Y74 HydrophobicContact CG-CE2 4.05Å; K11-Y74 HydrophobicContact CG-CG 4.22Å; K11-Y74 VanDerWaalsContact NZ-CE1 3.3Å; K11-Y74 VanDerWaalsContact NZ-CZ 3.29Å; K11-Y74 PolarHBondContact NZ-OH 3.15Å
12N53.5Low71.9Confident87 Ų8773.1 Ų73.147%0.46537%0.366SS..THydrogen-bonded Turntrans-146.114.5-162.2-91.6-30.3000116.6L10 F14 K15L10-N12 PolarHBondContact O-N 3.26Å; N12-F14 PolarHBondContact O-N 3.36Å; N12-K15 PolarHBondContact O-N 2.59Å
13A47.9Very low72.2Confident56 Ų5673.9 Ų73.946%0.46337%0.371SS..THydrogen-bonded Turntrans-50.2-29.6-168.300000116.1L10L10-A13 HydrophobicContact CB-CB 3.88Å; L10-A13 HydrophobicContact CD1-CB 3.92Å; L10-A13 HydrophobicContact CD2-CB 4.39Å; L10-A13 HydrophobicContact CG-CB 4.28Å
14F53.3Low72.7Confident118 Ų11877.6 Ų77.652%0.51839%0.387SS..THydrogen-bonded Turntrans-122.911.3-179.6-57.7-71.2000114.4N12 L16 L49 L53N12-F14 PolarHBondContact O-N 3.36Å; F14-L16 HydrophobicContact CB-CD1 3.88Å; F14-L16 HydrophobicContact CB-CD2 4.3Å; F14-L16 HydrophobicContact CB-CG 3.72Å; F14-L16 PolarHBondContact O-N 2.76Å; F14-L16 VanDerWaalsContact O-N 3.16Å; F14-L49 HydrophobicContact CD1-CD2 3.89Å; F14-L49 HydrophobicContact CE1-CD2 3.83Å; F14-L49 HydrophobicContact CG-CD2 4.32Å; F14-L49 HydrophobicContact CZ-CD2 4.23Å; F14-L53 HydrophobicContact CE2-CD1 4.17Å; F14-L53 HydrophobicContact CZ-CD1 4.23Å
15K63Low73.4Confident149 Ų14973.1 Ų73.165%0.64837%0.368SS*.  trans48.436.8-176.9-62.4-174.5178178.80114.9N12 R32N12-K15 PolarHBondContact O-N 2.59Å; K15-R32 WeakPolarHBondContact O-CD 3.39Å; K15-R32 PolarHBondContact O-NH1 3.46Å; K15-R32 VanDerWaalsContact O-NH1 3.09Å
16L65.8Low73.9Confident40 Ų4072.8 Ų72.821%0.20937%0.365CS..  trans-80.6-16.5-177-62175.8000114.4F14 R32 V46F14-L16 HydrophobicContact CB-CD1 3.88Å; F14-L16 HydrophobicContact CB-CD2 4.3Å; F14-L16 HydrophobicContact CB-CG 3.72Å; F14-L16 PolarHBondContact O-N 2.76Å; F14-L16 VanDerWaalsContact O-N 3.16Å; L16-R32 WeakPolarHBondContact O-CB 3.45Å; L16-R32 PolarHBondContact O-N 3.14Å; L16-V46 HydrophobicContact CD2-CB 4.24Å; L16-V46 HydrophobicContact CD2-CG1 3.52Å; L16-V46 HydrophobicContact CD2-CG2 3.71Å
17W76.4Confident74.6Confident33 Ų3368.1 Ų68.113%0.12534%0.344CS..EExtended strand (participates in β ladder)trans-120146-174.4-64.690.7000110.6Q29 R31 R63W17-Q29 HydrophobicContact CB-CB 4.21Å; W17-Q29 HydrophobicContact CE3-CB 4.02Å; W17-R31 HydrophobicContact CE3-CB 4.23Å; W17-R31 HydrophobicContact CH2-CB 4.27Å; W17-R31 HydrophobicContact CZ3-CB 4Å; W17-R63 HydrophobicContact CE3-CG 4Å; W17-R63 HydrophobicContact CH2-CG 4.22Å; W17-R63 HydrophobicContact CZ3-CB 4.42Å; W17-R63 HydrophobicContact CZ3-CG 3.8Å
18V82.4Confident75.1Confident46 Ų4663.3 Ų63.328%0.27932%0.321SS..EExtended strand (participates in β ladder)trans-117.6126.1177.5-178.50000107.2E20 Q29 R30 R32V18-E20 PolarHBondContact O-N 2.65Å; V18-Q29 CarbonylContact O-C 3.58Å; V18-Q29 VanDerWaalsContact O-CA 3.23Å; V18-Q29 WeakPolarHBondContact O-CA 3.48Å; V18-R30 PolarHBondContact N-O 2.92Å; V18-R30 PolarHBondContact O-N 3.41Å; V18-R32 HydrophobicContact CG2-CB 4.17Å; V18-R32 HydrophobicContact CG2-CG 3.89Å
19T87.6Confident75.8Confident63 Ų6361.9 Ų61.939%0.38731%0.314SS..EExtended strand (participates in β ladder)trans-70.3127.8172.9-60.50000109.5D22 V27T19-D22 HydrophobicContact CG2-CB 4.02Å; T19-V27 HydrophobicContact CG2-CG1 3.7Å
20E87.2Confident77.2Confident60 Ų6056.7 Ų56.728%0.2829%0.285SS..EExtended strand (participates in β ladder)trans-100.5-37.7175.2-69.6-88.9137.500111.4V18 L28 R30 K83V18-E20 PolarHBondContact O-N 2.65Å; E20-L28 HydrophobicContact CB-CD2 3.77Å; E20-L28 HydrophobicContact CG-CD2 4.24Å; E20-L28 PolarHBondContact N-O 2.72Å; E20-R30 HydrophobicContact CG-CB 3.68Å; E20-R30 IonicContact OE1-CZ 2.71Å; E20-R30 VanDerWaalsContact OE1-CZ 3.28Å; E20-R30 IonicContact OE1-NE 3.9Å; E20-R30 PolarHBondContact OE1-NE 2.83Å; E20-R30 IonicContact OE1-NH2 2.74Å; E20-R30 PolarHBondContact OE1-NH2 3.2Å; E20-K83 IonicContact OE2-NZ 3.33Å; E20-K83 PolarHBondContact OE2-NZ 3.17Å
21K89.3Confident77.9Confident62 Ų6253 Ų5327%0.2726%0.263SS..EExtended strand (participates in β ladder)trans-144.5145175.8-57.3176.8-177163.80109.1L28 D87 W90K21-L28 HydrophobicContact CB-CB 4.11Å; K21-L28 PolarHBondContact N-O 2.91Å; K21-L28 PolarHBondContact O-N 3.24Å; K21-D87 IonicContact NZ-OD1 3.9Å; K21-D87 PolarHBondContact NZ-OD1 2.84Å; K21-D87 IonicContact NZ-OD2 3.67Å; K21-D87 PolarHBondContact NZ-OD2 2.83Å; K21-W90 HydrophobicContact CB-CD2 4.44Å; K21-W90 HydrophobicContact CB-CH2 4.01Å; K21-W90 HydrophobicContact CB-CZ2 3.67Å; K21-W90 HydrophobicContact CD-CD2 4.3Å; K21-W90 HydrophobicContact CD-CG 4.24Å
22D90.8Very high78.7Confident116 Ų11657.9 Ų57.962%0.6228%0.279SS*.EExtended strand (participates in β ladder)trans-143.9160170.764.7-61.8000111.8T19 F26 V27T19-D22 HydrophobicContact CG2-CB 4.02Å; D22-F26 CarbonylContact C-O 3.6Å; D22-F26 WeakPolarHBondContact CA-O 3.35Å; D22-V27 HydrophobicContact CB-CG1 4.28Å; D22-V27 HydrophobicContact CB-CG2 4.27Å
23N89.5Confident79.1Confident28 Ų2856.8 Ų56.815%0.1529%0.289CS..  trans-149.7-179.7170.665.568.5000108.5Y25 F26 H67 W90 Q94 M98N23-Y25 PolarHBondContact O-N 3.28Å; N23-Y25 VanDerWaalsContact O-N 3.07Å; N23-Y25 PolarHBondContact OD1-N 3.41Å; N23-F26 PolarHBondContact N-O 3.06Å; N23-F26 PolarHBondContact OD1-N 2.91Å; N23-H67 PolarHBondContact O-CE1 3.04Å; N23-W90 WeakPolarHBondContact ND2-CH2 3.34Å; N23-W90 VanDerWaalsContact ND2-CZ2 3.3Å; N23-W90 WeakPolarHBondContact ND2-CZ2 3.45Å; N23-Q94 PolarHBondContact ND2-NE2 3.4Å; N23-M98 HydrophobicContact CB-CE 4.26Å
24E85.9Confident79.4Confident110 Ų11059.5 Ų59.551%0.51429%0.288SS..SBendtrans-52.4-31.4-177.2-171.1174.4-146.800115P69E24-P69 HydrophobicContact CG-CG 3.82Å
25Y89.7Confident79.4Confident17 Ų1757.4 Ų57.47%0.06730%0.3CS..SBendtrans-117.8-16.2-174.2-56.1-69.7000114.7N23 H66 H67 T68 M98 L101 I110N23-Y25 PolarHBondContact O-N 3.28Å; N23-Y25 VanDerWaalsContact O-N 3.07Å; N23-Y25 PolarHBondContact OD1-N 3.41Å; Y25-H66 CarbonylContact O-C 3.5Å; Y25-H66 WeakPolarHBondContact O-CA 3.25Å; Y25-H66 PolarHBondContact O-ND1 2.64Å; Y25-H67 VanDerWaalsContact C-ND1 3.31Å; Y25-H67 CarbonylContact C-O 3.59Å; Y25-H67 WeakPolarHBondContact CA-O 3.12Å; Y25-H67 PolarHBondContact O-N 3.41Å; Y25-H67 PolarHBondContact O-ND1 2.93Å; Y25-H67 VanDerWaalsContact O-O 3.06Å; Y25-T68 HydrophobicContact CD1-CG2 4.43Å; Y25-M98 HydrophobicContact CD2-CE 3.87Å; Y25-M98 HydrophobicContact CD2-SD 4.04Å; Y25-M98 HydrophobicContact CE2-CE 4.44Å; Y25-L101 HydrophobicContact CD1-CD1 4.14Å; Y25-L101 HydrophobicContact CD2-CB 3.93Å; Y25-L101 HydrophobicContact CD2-CD1 3.65Å; Y25-L101 HydrophobicContact CD2-CG 4.42Å; Y25-L101 HydrophobicContact CE2-CB 3.89Å; Y25-L101 HydrophobicContact CE2-CD1 4.44Å; Y25-L101 HydrophobicContact CG-CB 4.31Å; Y25-L101 HydrophobicContact CG-CD1 3.48Å; Y25-L101 VanDerWaalsContact CG-CD1 3.48Å; Y25-I110 HydrophobicContact CD1-CG2 3.87Å; Y25-I110 HydrophobicContact CE1-CD1 3.83Å; Y25-I110 HydrophobicContact CE1-CG2 4.09Å
26F92.8Very high78.5Confident0 Ų057.1 Ų57.10%030%0.3CS..EExtended strand (participates in β ladder)trans-138.8147.9-174.7-51.1-76.5000113.8D22 N23 I64 L65 H66 I77 W90 L93 I97 M98 L101 V114D22-F26 CarbonylContact C-O 3.6Å; D22-F26 WeakPolarHBondContact CA-O 3.35Å; N23-F26 PolarHBondContact N-O 3.06Å; N23-F26 PolarHBondContact OD1-N 2.91Å; F26-I64 HydrophobicContact CB-CG2 4.17Å; F26-L65 CarbonylContact C-O 3.5Å; F26-L65 VanDerWaalsContact CA-O 3.23Å; F26-L65 WeakPolarHBondContact CA-O 3.46Å; F26-H66 HydrophobicContact CD1-CB 3.9Å; F26-H66 AromaticContact CD1-ND1 3.92Å; F26-H66 HydrophobicContact CE1-CB 3.89Å; F26-H66 AromaticContact CE1-CG 3.97Å; F26-H66 AromaticContact CE1-ND1 3.59Å; F26-I77 HydrophobicContact CD1-CD1 3.6Å; F26-I77 HydrophobicContact CE1-CD1 3.57Å; F26-W90 HydrophobicContact CB-CH2 4.28Å; F26-W90 HydrophobicContact CB-CZ3 3.77Å; F26-W90 WeakPolarHBondContact O-CH2 3.42Å; F26-L93 HydrophobicContact CD1-CD1 3.84Å; F26-L93 HydrophobicContact CD2-CB 4.38Å; F26-L93 HydrophobicContact CD2-CD1 4.24Å; F26-L93 HydrophobicContact CE1-CD1 4.04Å; F26-L93 HydrophobicContact CE1-CD2 4.24Å; F26-L93 HydrophobicContact CE2-CB 4.23Å; F26-L93 HydrophobicContact CE2-CD1 4.42Å; F26-L93 HydrophobicContact CG-CD1 3.94Å; F26-L93 HydrophobicContact CZ-CD1 4.33Å; F26-L93 HydrophobicContact CZ-CD2 4.07Å; F26-I97 HydrophobicContact CE2-CG2 4.23Å; F26-I97 HydrophobicContact CZ-CG2 3.98Å; F26-M98 HydrophobicContact CD2-SD 3.76Å; F26-M98 HydrophobicContact CE2-SD 3.75Å; F26-L101 HydrophobicContact CE2-CD1 3.75Å; F26-L101 HydrophobicContact CZ-CD1 3.82Å; F26-V114 HydrophobicContact CE1-CG1 3.95Å; F26-V114 HydrophobicContact CE1-CG2 4.35Å; F26-V114 HydrophobicContact CZ-CG1 4.34Å; F26-V114 HydrophobicContact CZ-CG2 4.04Å
27V91Very high77.6Confident2 Ų259.9 Ų59.91%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-131.7117178-172.40000109.6T19 D22 Q29 I64 L65 Y74T19-V27 HydrophobicContact CG2-CG1 3.7Å; D22-V27 HydrophobicContact CB-CG1 4.28Å; D22-V27 HydrophobicContact CB-CG2 4.27Å; V27-Q29 HydrophobicContact CG1-CG 3.79Å; V27-I64 WeakPolarHBondContact O-CA 3.38Å; V27-L65 PolarHBondContact N-O 3.07Å; V27-L65 PolarHBondContact O-N 3.36Å; V27-Y74 HydrophobicContact CG2-CE1 4.39Å
28L90.8Very high75.8Confident0 Ų061.3 Ų61.30%036%0.364CS..EExtended strand (participates in β ladder)trans-88.7126.1169.8-164.9154000109.5E20 K21 Y62 R63 I64 I86 W90E20-L28 HydrophobicContact CB-CD2 3.77Å; E20-L28 HydrophobicContact CG-CD2 4.24Å; E20-L28 PolarHBondContact N-O 2.72Å; K21-L28 HydrophobicContact CB-CB 4.11Å; K21-L28 PolarHBondContact N-O 2.91Å; K21-L28 PolarHBondContact O-N 3.24Å; L28-Y62 HydrophobicContact CD2-CD1 4.37Å; L28-R63 CarbonylContact C-O 3.51Å; L28-R63 WeakPolarHBondContact CA-O 3.4Å; L28-I64 HydrophobicContact CB-CG1 4.23Å; L28-I64 HydrophobicContact CD1-CD1 4.31Å; L28-I64 HydrophobicContact CD1-CG1 4.04Å; L28-I64 HydrophobicContact CG-CG1 4Å; L28-I86 HydrophobicContact CD1-CB 4.5Å; L28-I86 HydrophobicContact CD1-CG1 3.9Å; L28-I86 HydrophobicContact CD1-CG2 4.07Å; L28-I86 HydrophobicContact CD2-CG2 4.32Å; L28-I86 HydrophobicContact CG-CG1 4.13Å; L28-W90 HydrophobicContact CB-CD2 4.42Å; L28-W90 HydrophobicContact CB-CE3 3.74Å; L28-W90 HydrophobicContact CB-CZ3 3.87Å; L28-W90 HydrophobicContact CD1-CB 3.91Å; L28-W90 HydrophobicContact CD1-CD2 4.24Å; L28-W90 HydrophobicContact CD1-CE3 4.11Å; L28-W90 HydrophobicContact CD1-CG 4.19Å
29Q88.5Confident74Confident0 Ų063.8 Ų63.80%040%0.399CS..EExtended strand (participates in β ladder)trans-125.5140.8-178.7-54.9-169.3-48.800111.9W17 V18 V27 Y62 R63W17-Q29 HydrophobicContact CB-CB 4.21Å; W17-Q29 HydrophobicContact CE3-CB 4.02Å; V18-Q29 CarbonylContact O-C 3.58Å; V18-Q29 VanDerWaalsContact O-CA 3.23Å; V18-Q29 WeakPolarHBondContact O-CA 3.48Å; V27-Q29 HydrophobicContact CG1-CG 3.79Å; Q29-Y62 CarbonylContact O-C 3.52Å; Q29-Y62 WeakPolarHBondContact O-CA 3.45Å; Q29-R63 HydrophobicContact CB-CG 4.09Å; Q29-R63 PolarHBondContact N-O 3.36Å; Q29-R63 PolarHBondContact O-N 3.27Å
30R85.3Confident72.1Confident28 Ų2862.8 Ų62.811%0.10640%0.401CS..EExtended strand (participates in β ladder)trans-105145.6168178.4177.951.1100.4-0.5110.4V18 E20 Y34 P61 Y62V18-R30 PolarHBondContact N-O 2.92Å; V18-R30 PolarHBondContact O-N 3.41Å; E20-R30 HydrophobicContact CG-CB 3.68Å; E20-R30 IonicContact OE1-CZ 2.71Å; E20-R30 VanDerWaalsContact OE1-CZ 3.28Å; E20-R30 IonicContact OE1-NE 3.9Å; E20-R30 PolarHBondContact OE1-NE 2.83Å; E20-R30 IonicContact OE1-NH2 2.74Å; E20-R30 PolarHBondContact OE1-NH2 3.2Å; R30-Y34 PolarHBondContact NH1-O 3.45Å; R30-P61 CarbonylContact C-O 3.5Å; R30-P61 WeakPolarHBondContact CA-O 3.43Å; R30-Y62 HydrophobicContact CB-CD1 3.76Å; R30-Y62 HydrophobicContact CB-CE1 3.7Å; R30-Y62 HydrophobicContact CG-CD1 4.02Å; R30-Y62 HydrophobicContact CG-CE1 3.62Å
31R73.9Confident70Confident43 Ų4367.1 Ų67.116%0.16243%0.425CS..EExtended strand (participates in β ladder)trans-69.3135.3173.7-159.9-163.8-162104.50.1111W17 G33 Y34 D50 S57 P61W17-R31 HydrophobicContact CE3-CB 4.23Å; W17-R31 HydrophobicContact CH2-CB 4.27Å; W17-R31 HydrophobicContact CZ3-CB 4Å; R31-G33 PolarHBondContact O-N 2.97Å; R31-Y34 PolarHBondContact O-N 3.13Å; R31-D50 IonicContact CZ-OD2 2.83Å; R31-D50 IonicContact NH2-OD1 2.7Å; R31-D50 PolarHBondContact NH2-OD1 3.2Å; R31-D50 IonicContact NH2-OD2 2.68Å; R31-D50 PolarHBondContact NH2-OD2 2.75Å; R31-S57 PolarHBondContact NH1-O 3.1Å; R31-P61 PolarHBondContact N-O 2.79Å
32R68.3Low68Low157 Ų15769.6 Ų69.659%0.59245%0.445SS*.THydrogen-bonded Turntrans-66.9131.9178.2-149.6171.6-161.8175.91.4110.6K15 L16 V18K15-R32 WeakPolarHBondContact O-CD 3.39Å; K15-R32 PolarHBondContact O-NH1 3.46Å; K15-R32 VanDerWaalsContact O-NH1 3.09Å; L16-R32 WeakPolarHBondContact O-CB 3.45Å; L16-R32 PolarHBondContact O-N 3.14Å; V18-R32 HydrophobicContact CG2-CB 4.17Å; V18-R32 HydrophobicContact CG2-CG 3.89Å
33G60.6Low66.1Low64 Ų6466.5 Ų66.566%0.6644%0.441SS*.THydrogen-bonded Turntrans91.8-4-17600000115.3R31R31-G33 PolarHBondContact O-N 2.97Å
34Y54.9Low63.9Low114 Ų11471.8 Ų71.845%0.44747%0.469SS..SBendtrans-95.4121.2171.7-164.4-94.9000110.5R30 R31 P61 Y62R30-Y34 PolarHBondContact NH1-O 3.45Å; R31-Y34 PolarHBondContact O-N 3.13Å; Y34-P61 HydrophobicContact CD1-CB 3.42Å; Y34-P61 VanDerWaalsContact CD1-CB 3.42Å; Y34-P61 HydrophobicContact CD1-CG 3.85Å; Y34-P61 HydrophobicContact CD2-CB 3.82Å; Y34-P61 HydrophobicContact CD2-CG 4.43Å; Y34-P61 HydrophobicContact CE1-CB 3.59Å; Y34-P61 HydrophobicContact CE1-CG 3.45Å; Y34-P61 VanDerWaalsContact CE1-CG 3.45Å; Y34-P61 HydrophobicContact CE2-CB 3.98Å; Y34-P61 HydrophobicContact CE2-CG 4.09Å; Y34-P61 HydrophobicContact CG-CB 3.52Å; Y34-P61 HydrophobicContact CG-CG 4.31Å; Y34-Y62 HydrophobicContact CE1-CE2 4.39Å
35G54.5Low61.8Low74 Ų7473.1 Ų73.176%0.76348%0.479SS*.SBendtrans89.32.5172.200000117.6
36E44.3Very low59.8Low142 Ų14274.6 Ų74.666%0.66449%0.49SS*.SBendtrans-108.7127.1168.7-77.2177.8157.700110.3G38E36-G38 VanDerWaalsContact C-N 3.28Å; E36-G38 PolarHBondContact O-N 3.21Å
37G45.4Very low57.5Low98 Ų9876.6 Ų76.6100%1.0151%0.51SS*.SBendtrans-71.776.1179.100000112.7
38G39.7Very low55.1Low64 Ų6481.5 Ų81.566%0.6654%0.54SS*.  trans-160.995.5-179.800000112.8E36 G40E36-G38 VanDerWaalsContact C-N 3.28Å; E36-G38 PolarHBondContact O-N 3.21Å; G38-G40 VanDerWaalsContact C-N 3.29Å; G38-G40 PolarHBondContact O-N 3.17Å
39G44.9Very low52.7Low98 Ų9885.9 Ų85.9100%1.0156%0.563SS**  trans-70.676.1176.900000113.2
40G46.6Very low50.6Low42 Ų4287.4 Ų87.443%0.43357%0.571SS.*  trans-90.7143.717700000113.7G38 T42 G43G38-G40 VanDerWaalsContact C-N 3.29Å; G38-G40 PolarHBondContact O-N 3.17Å; G40-T42 PolarHBondContact O-N 2.9Å; G40-G43 PolarHBondContact O-N 3.07Å
41L44.5Very low48.6Very low150 Ų15090.4 Ų90.479%0.78559%0.593SS**THydrogen-bonded Turntrans-53.3-21.5178.5-76.6158.7000114.8G43 L44L41-G43 VanDerWaalsContact C-N 3.28Å; L41-G43 PolarHBondContact O-N 3.33Å; L41-L44 PolarHBondContact O-N 3.11Å
42T46.5Very low47Very low114 Ų11494.1 Ų94.170%0.69962%0.62SS**Hα-helixtrans-64.5-26.6174.541.90000113.7G40 L44 V46G40-T42 PolarHBondContact O-N 2.9Å; T42-L44 VanDerWaalsContact C-N 3.35Å; T42-V46 WeakPolarHBondContact O-CG2 3.24Å
43G50.9Low45.7Very low52 Ų5292.4 Ų92.454%0.53662%0.622SS.*Hα-helixtrans-70.6-29.817500000113.4G40 L41G40-G43 PolarHBondContact O-N 3.07Å; L41-G43 VanDerWaalsContact C-N 3.28Å; L41-G43 PolarHBondContact O-N 3.33Å
44L42.4Very low45Very low139 Ų13992.6 Ų92.673%0.72861%0.608SS**Hα-helixtrans-76.3-41-175.9-142.782.2000112.4L41 T42 V46 G47L41-L44 PolarHBondContact O-N 3.11Å; T42-L44 VanDerWaalsContact C-N 3.35Å; L44-V46 VanDerWaalsContact C-N 3.35Å; L44-G47 PolarHBondContact O-N 2.81Å
45L41.7Very low44.4Very low138 Ų13891.7 Ų91.772%0.72362%0.618SS**Hα-helixtrans-71.6-26.9180-80.9160.1000113.4
46V48Very low44Very low48 Ų4891.2 Ų91.229%0.29160%0.6SS.*Hα-helixtrans-67.3-42.1174.3162.90000111.1L16 T42 L44 T48 L49 D50L16-V46 HydrophobicContact CD2-CB 4.24Å; L16-V46 HydrophobicContact CD2-CG1 3.52Å; L16-V46 HydrophobicContact CD2-CG2 3.71Å; T42-V46 WeakPolarHBondContact O-CG2 3.24Å; L44-V46 VanDerWaalsContact C-N 3.35Å; V46-T48 PolarHBondContact O-N 3.31Å; V46-T48 VanDerWaalsContact O-N 3.12Å; V46-L49 PolarHBondContact O-N 2.94Å; V46-D50 WeakPolarHBondContact CG1-OD2 3.44Å; V46-D50 PolarHBondContact O-N 3.02Å; V46-D50 VanDerWaalsContact O-N 3.11Å
47G44.4Very low43.9Very low42 Ų4285.1 Ų85.143%0.43357%0.573SS.*Hα-helixtrans-61.7-22.2-177.900000115.1L44L44-G47 PolarHBondContact O-N 2.81Å
48T41.3Very low44.2Very low104 Ų10485.3 Ų85.364%0.63855%0.546SS*.Hα-helixtrans-83.3-23.9176.8-31.10000113.2V46 T51V46-T48 PolarHBondContact O-N 3.31Å; V46-T48 VanDerWaalsContact O-N 3.12Å; T48-T51 PolarHBondContact O-OG1 3.4Å
49L41.2Very low44.9Very low93 Ų9383.5 Ų83.549%0.48752%0.523SS..Hα-helixtrans-86.4-30.6174.4-13780.7000111.7F14 V46 T51 V52F14-L49 HydrophobicContact CD1-CD2 3.89Å; F14-L49 HydrophobicContact CE1-CD2 3.83Å; F14-L49 HydrophobicContact CG-CD2 4.32Å; F14-L49 HydrophobicContact CZ-CD2 4.23Å; V46-L49 PolarHBondContact O-N 2.94Å; L49-T51 PolarHBondContact O-N 3.26Å; L49-V52 PolarHBondContact O-N 2.85Å
50D42.3Very low45.7Very low31 Ų3179.5 Ų79.517%0.16648%0.48CS..THydrogen-bonded Turntrans-59.2-8.8176.5-80.8-25.3000114.6R31 V46 K58R31-D50 IonicContact CZ-OD2 2.83Å; R31-D50 IonicContact NH2-OD1 2.7Å; R31-D50 PolarHBondContact NH2-OD1 3.2Å; R31-D50 IonicContact NH2-OD2 2.68Å; R31-D50 PolarHBondContact NH2-OD2 2.75Å; V46-D50 WeakPolarHBondContact CG1-OD2 3.44Å; V46-D50 PolarHBondContact O-N 3.02Å; V46-D50 VanDerWaalsContact O-N 3.11Å; D50-K58 WeakPolarHBondContact O-CE 3.29Å
51T43.6Very low47.1Very low92 Ų9278 Ų7856%0.56446%0.462SS*.THydrogen-bonded Turntrans-78.6-22.7-179.2-25.10000113.2T48 L49T48-T51 PolarHBondContact O-OG1 3.4Å; L49-T51 PolarHBondContact O-N 3.26Å
52V41.1Very low48.9Very low120 Ų12071.9 Ų71.973%0.72743%0.429SS*.THydrogen-bonded Turntrans-114.9-27.2-159-176.80000115.5L49L49-V52 PolarHBondContact O-N 2.85Å
53L41.8Very low50.8Low122 Ų12267.3 Ų67.364%0.63940%0.399SS*.SBendtrans-117.8-8.1-157.6-78.7165.8000118.7F14F14-L53 HydrophobicContact CE2-CD1 4.17Å; F14-L53 HydrophobicContact CZ-CD1 4.23Å
54D44.2Very low52.7Low68 Ų6864.9 Ų64.936%0.36437%0.374SS..  trans-156.4113.6-179.4-168.1-10.6000112T56 S57D54-T56 PolarHBondContact OD1-OG1 2.95Å; D54-S57 PolarHBondContact O-OG 3.45Å
55S43.8Very low54.9Low95 Ų9558.2 Ų58.266%0.66434%0.339SS*.SBendtrans-78.3-30.9-16942.30000115
56T44.8Very low57.3Low63 Ų6351.7 Ų51.739%0.38731%0.305SS..SBendtrans-85.3-12.9177.149.70000112.1D54 K58D54-T56 PolarHBondContact OD1-OG1 2.95Å; T56-K58 PolarHBondContact O-N 2.8Å; T56-K58 VanDerWaalsContact O-N 3.11Å
57S43.2Very low59.2Low14 Ų1450.4 Ų50.410%0.09830%0.296CS..THydrogen-bonded Turntrans-69.4-3.2-175.376.40000116.6R31 D54R31-S57 PolarHBondContact NH1-O 3.1Å; D54-S57 PolarHBondContact O-OG 3.45Å
58K51.4Low61.3Low102 Ų10248.6 Ų48.644%0.44328%0.276SS..THydrogen-bonded Turntrans-93.7-13.4-165.2-76.7-176.4178.4172.60117D50 T56D50-K58 WeakPolarHBondContact O-CE 3.29Å; T56-K58 PolarHBondContact O-N 2.8Å; T56-K58 VanDerWaalsContact O-N 3.11Å
59V53.8Low63Low27 Ų2747.4 Ų47.416%0.16427%0.27CS..SBendtrans-112.6-44-165.2-168.60000113.8E141 L144 R145V59-E141 HydrophobicContact CG2-CG 4.03Å; V59-E141 WeakPolarHBondContact CG2-OE1 3.4Å; V59-L144 HydrophobicContact CG1-CB 3.75Å; V59-L144 HydrophobicContact CG1-CD1 4.17Å; V59-R145 HydrophobicContact CG2-CG 4.11Å
60A63.1Low64.6Low14 Ų1449.8 Ų49.812%0.11628%0.283CS..  trans-103.4127.4-17500000112.8Y62 C79A60-Y62 VanDerWaalsContact C-N 3.31Å; A60-C79 HydrophobicContact CB-CB 3.63Å
61P74.8Confident66.3Low9 Ų950 Ų506%0.05829%0.287CS..SBendtrans-75.4-14.2174.831.7-36.1000113.8R30 R31 Y34 G80 V81R30-P61 CarbonylContact C-O 3.5Å; R30-P61 WeakPolarHBondContact CA-O 3.43Å; R31-P61 PolarHBondContact N-O 2.79Å; Y34-P61 HydrophobicContact CD1-CB 3.42Å; Y34-P61 VanDerWaalsContact CD1-CB 3.42Å; Y34-P61 HydrophobicContact CD1-CG 3.85Å; Y34-P61 HydrophobicContact CD2-CB 3.82Å; Y34-P61 HydrophobicContact CD2-CG 4.43Å; Y34-P61 HydrophobicContact CE1-CB 3.59Å; Y34-P61 HydrophobicContact CE1-CG 3.45Å; Y34-P61 VanDerWaalsContact CE1-CG 3.45Å; Y34-P61 HydrophobicContact CE2-CB 3.98Å; Y34-P61 HydrophobicContact CE2-CG 4.09Å; Y34-P61 HydrophobicContact CG-CB 3.52Å; Y34-P61 HydrophobicContact CG-CG 4.31Å; P61-G80 WeakPolarHBondContact CD-O 3.36Å; P61-V81 VanDerWaalsContact CG-O 3.22Å; P61-V81 WeakPolarHBondContact CG-O 3.24Å
62Y82.1Confident67.7Low23 Ų2354.1 Ų54.19%0.0930%0.3CS..EExtended strand (participates in β ladder)trans-119.9146.9175.5-57.2-86.6000112.3L28 Q29 R30 Y34 A60 C79 G80 T82 K83 I86L28-Y62 HydrophobicContact CD2-CD1 4.37Å; Q29-Y62 CarbonylContact O-C 3.52Å; Q29-Y62 WeakPolarHBondContact O-CA 3.45Å; R30-Y62 HydrophobicContact CB-CD1 3.76Å; R30-Y62 HydrophobicContact CB-CE1 3.7Å; R30-Y62 HydrophobicContact CG-CD1 4.02Å; R30-Y62 HydrophobicContact CG-CE1 3.62Å; Y34-Y62 HydrophobicContact CE1-CE2 4.39Å; A60-Y62 VanDerWaalsContact C-N 3.31Å; Y62-C79 CarbonylContact O-C 3.58Å; Y62-C79 VanDerWaalsContact O-CA 3.26Å; Y62-C79 WeakPolarHBondContact O-CA 3.47Å; Y62-C79 WeakPolarHBondContact O-CB 3.46Å; Y62-G80 PolarHBondContact N-O 2.94Å; Y62-G80 PolarHBondContact O-N 3.19Å; Y62-T82 WeakPolarHBondContact CD2-O 3.24Å; Y62-K83 HydrophobicContact CE1-CB 4.3Å; Y62-K83 HydrophobicContact CE1-CD 4.47Å; Y62-K83 HydrophobicContact CE1-CG 4.35Å; Y62-K83 HydrophobicContact CE2-CB 4.12Å; Y62-I86 HydrophobicContact CD1-CG2 4.01Å; Y62-I86 HydrophobicContact CD2-CG2 4.26Å; Y62-I86 HydrophobicContact CG-CB 4.44Å; Y62-I86 HydrophobicContact CG-CG2 3.71Å
63R86.8Confident69.5Low18 Ų1850.3 Ų50.37%0.06828%0.277CS..EExtended strand (participates in β ladder)trans-144.9152.1173.968.9-176.3-171.4175.83.1112.8W17 L28 Q29 L65 A78W17-R63 HydrophobicContact CE3-CG 4Å; W17-R63 HydrophobicContact CH2-CG 4.22Å; W17-R63 HydrophobicContact CZ3-CB 4.42Å; W17-R63 HydrophobicContact CZ3-CG 3.8Å; L28-R63 CarbonylContact C-O 3.51Å; L28-R63 WeakPolarHBondContact CA-O 3.4Å; Q29-R63 HydrophobicContact CB-CG 4.09Å; Q29-R63 PolarHBondContact N-O 3.36Å; Q29-R63 PolarHBondContact O-N 3.27Å; R63-L65 HydrophobicContact CG-CD2 4.3Å; R63-A78 CarbonylContact C-O 3.58Å; R63-A78 VanDerWaalsContact CA-O 3.29Å; R63-A78 WeakPolarHBondContact CA-O 3.02Å
64I90.1Very high71.6Confident0 Ų045.8 Ų45.80%025%0.251CS..EExtended strand (participates in β ladder)trans-112.8129.5166.6-59.3166.2000108.6F26 V27 L28 I77 A78 I86 H89 W90 L93F26-I64 HydrophobicContact CB-CG2 4.17Å; V27-I64 WeakPolarHBondContact O-CA 3.38Å; L28-I64 HydrophobicContact CB-CG1 4.23Å; L28-I64 HydrophobicContact CD1-CD1 4.31Å; L28-I64 HydrophobicContact CD1-CG1 4.04Å; L28-I64 HydrophobicContact CG-CG1 4Å; I64-I77 HydrophobicContact CB-CG1 4.34Å; I64-I77 HydrophobicContact CG2-CD1 4.02Å; I64-I77 HydrophobicContact CG2-CG1 4.04Å; I64-I77 WeakPolarHBondContact O-CG1 3.39Å; I64-I77 PolarHBondContact O-N 3.36Å; I64-A78 HydrophobicContact CB-CB 4.16Å; I64-A78 HydrophobicContact CD1-CB 4.24Å; I64-A78 HydrophobicContact CG1-CB 4.48Å; I64-A78 PolarHBondContact N-O 3.01Å; I64-A78 PolarHBondContact O-N 3.44Å; I64-I86 HydrophobicContact CD1-CD1 3.76Å; I64-I86 HydrophobicContact CD1-CG1 4.04Å; I64-I86 HydrophobicContact CG1-CD1 3.72Å; I64-I86 HydrophobicContact CG1-CG1 3.87Å; I64-H89 HydrophobicContact CD1-CB 3.93Å; I64-W90 HydrophobicContact CD1-CB 4.02Å; I64-W90 HydrophobicContact CD1-CE3 4.27Å; I64-W90 HydrophobicContact CG1-CE3 4.31Å; I64-W90 HydrophobicContact CG2-CE3 4.33Å; I64-W90 HydrophobicContact CG2-CZ3 4.46Å; I64-L93 HydrophobicContact CD1-CD1 4.35Å; I64-L93 HydrophobicContact CG2-CD1 3.88Å
65L89.9Confident73.5Confident0 Ų044.9 Ų44.90%024%0.243CC..EExtended strand (participates in β ladder)trans-107.8139.5174.1-52.9-176.1000110.1I8 F26 V27 R63 Y74 W75I8-L65 HydrophobicContact CD1-CD1 4.38Å; I8-L65 HydrophobicContact CD1-CD2 3.53Å; F26-L65 CarbonylContact C-O 3.5Å; F26-L65 VanDerWaalsContact CA-O 3.23Å; F26-L65 WeakPolarHBondContact CA-O 3.46Å; V27-L65 PolarHBondContact N-O 3.07Å; V27-L65 PolarHBondContact O-N 3.36Å; R63-L65 HydrophobicContact CG-CD2 4.3Å; L65-Y74 HydrophobicContact CB-CD1 4.22Å; L65-Y74 HydrophobicContact CD1-CD1 4.17Å; L65-Y74 HydrophobicContact CD1-CG 4.48Å; L65-W75 CarbonylContact C-O 3.55Å; L65-W75 VanDerWaalsContact CA-O 3.24Å; L65-W75 WeakPolarHBondContact CA-O 3.41Å
66H91.8Very high75.5Confident0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-91.8145.7164.5173.853.9000110.9Y25 F26 Y74 W75 I77 T111 V114Y25-H66 CarbonylContact O-C 3.5Å; Y25-H66 WeakPolarHBondContact O-CA 3.25Å; Y25-H66 PolarHBondContact O-ND1 2.64Å; F26-H66 HydrophobicContact CD1-CB 3.9Å; F26-H66 AromaticContact CD1-ND1 3.92Å; F26-H66 HydrophobicContact CE1-CB 3.89Å; F26-H66 AromaticContact CE1-CG 3.97Å; F26-H66 AromaticContact CE1-ND1 3.59Å; H66-Y74 WeakPolarHBondContact O-CA 3.36Å; H66-W75 HydrophobicContact CB-CB 4.32Å; H66-W75 PolarHBondContact N-O 3.18Å; H66-W75 PolarHBondContact O-N 3.39Å; H66-I77 HydrophobicContact CB-CD1 4.15Å; H66-I77 HydrophobicContact CB-CG1 4.42Å; H66-I77 HydrophobicContact CB-CG2 3.98Å; H66-T111 WeakPolarHBondContact NE2-CA 3.17Å; H66-V114 HydrophobicContact CB-CG1 4.16Å
67H88.6Confident77.6Confident22 Ų2237.9 Ų37.910%0.10220%0.197CC..  trans-153.7174.6171.270.5-42000110.5N23 Y25 Y74N23-H67 PolarHBondContact O-CE1 3.04Å; Y25-H67 VanDerWaalsContact C-ND1 3.31Å; Y25-H67 CarbonylContact C-O 3.59Å; Y25-H67 WeakPolarHBondContact CA-O 3.12Å; Y25-H67 PolarHBondContact O-N 3.41Å; Y25-H67 PolarHBondContact O-ND1 2.93Å; Y25-H67 VanDerWaalsContact O-O 3.06Å; H67-Y74 HydrophobicContact CB-CD1 3.68Å; H67-Y74 HydrophobicContact CB-CE1 3.43Å; H67-Y74 VanDerWaalsContact CB-CE1 3.43Å; H67-Y74 HydrophobicContact CB-CG 4.37Å; H67-Y74 AromaticContact CD2-CE1 3.53Å; H67-Y74 AromaticContact CD2-CZ 3.74Å; H67-Y74 PolarHBondContact CD2-OH 3.13Å; H67-Y74 AromaticContact CG-CE1 3.51Å
68T87.2Confident79.6Confident4 Ų437.2 Ų37.23%0.02519%0.192CC..  trans-129.7153.3170.149.20000109.4Y25 D70 S71 T107 I110Y25-T68 HydrophobicContact CD1-CG2 4.43Å; T68-D70 VanDerWaalsContact C-N 3.26Å; T68-D70 PolarHBondContact O-N 2.81Å; T68-D70 VanDerWaalsContact O-N 3.12Å; T68-S71 PolarHBondContact O-N 2.97Å; T68-S71 VanDerWaalsContact OG1-CB 3.24Å; T68-S71 WeakPolarHBondContact OG1-CB 3.46Å; T68-T107 HydrophobicContact CG2-CG2 4.38Å; T68-I110 HydrophobicContact CG2-CB 4.14Å; T68-I110 HydrophobicContact CG2-CG2 3.68Å
69P77.6Confident81.2Confident78 Ų7833.3 Ų33.351%0.50618%0.177SC..THydrogen-bonded Turntrans-55-33.8-170.1-31.337.6000115.9E24E24-P69 HydrophobicContact CG-CG 3.82Å
70D73.8Confident82.2Confident143 Ų14332 Ų3277%0.76517%0.17SC*.THydrogen-bonded Turntrans-92.6-3.5-179.3-59.3-56.4000114.1T68T68-D70 VanDerWaalsContact C-N 3.26Å; T68-D70 PolarHBondContact O-N 2.81Å; T68-D70 VanDerWaalsContact O-N 3.12Å
71S78.4Confident82.4Confident35 Ų3534 Ų3425%0.24518%0.18CC..  trans-97.6131.4-174.8-1750000112.9T68 V73T68-S71 PolarHBondContact O-N 2.97Å; T68-S71 VanDerWaalsContact OG1-CB 3.24Å; T68-S71 WeakPolarHBondContact OG1-CB 3.46Å; S71-V73 VanDerWaalsContact C-N 3.26Å; S71-V73 WeakPolarHBondContact OG-CB 3.39Å; S71-V73 PolarHBondContact OG-N 3.13Å; S71-V73 PolarHBondContact OG-O 2.97Å
72Q73.3Confident82.4Confident179 Ų17936.6 Ų36.684%0.83620%0.196SC*.SBendtrans-80.6-9.7167.3-60.9-169.414.600112.7Y74Q72-Y74 WeakPolarHBondContact O-CD2 3.45Å; Q72-Y74 WeakPolarHBondContact O-CE2 3.34Å
73V79.4Confident82.2Confident41 Ų4138.9 Ų38.925%0.24821%0.206CC..  trans-90.8131.4-176.2-177.90000110.3E7 S71 W75E7-V73 HydrophobicContact CG-CG1 3.33Å; E7-V73 WeakPolarHBondContact OE1-CG1 3.18Å; S71-V73 VanDerWaalsContact C-N 3.26Å; S71-V73 WeakPolarHBondContact OG-CB 3.39Å; S71-V73 PolarHBondContact OG-N 3.13Å; S71-V73 PolarHBondContact OG-O 2.97Å; V73-W75 HydrophobicContact CG1-CZ2 4.27Å
74Y84.9Confident81.9Confident26 Ų2644.1 Ų44.110%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-113.4144.3176.9-71.2-99.5000109.5I8 K11 V27 L65 H66 H67 Q72I8-Y74 PolarHBondContact N-O 3.21Å; K11-Y74 HydrophobicContact CB-CD2 3.87Å; K11-Y74 HydrophobicContact CB-CE2 3.99Å; K11-Y74 HydrophobicContact CB-CG 4.37Å; K11-Y74 HydrophobicContact CD-CD1 4.26Å; K11-Y74 HydrophobicContact CD-CD2 4.26Å; K11-Y74 HydrophobicContact CD-CE1 3.67Å; K11-Y74 HydrophobicContact CD-CE2 3.71Å; K11-Y74 VanDerWaalsContact CD-CZ 3.41Å; K11-Y74 VanDerWaalsContact CE-CZ 3.45Å; K11-Y74 HydrophobicContact CG-CD1 4.21Å; K11-Y74 HydrophobicContact CG-CD2 4.08Å; K11-Y74 HydrophobicContact CG-CE1 4.13Å; K11-Y74 HydrophobicContact CG-CE2 4.05Å; K11-Y74 HydrophobicContact CG-CG 4.22Å; K11-Y74 VanDerWaalsContact NZ-CE1 3.3Å; K11-Y74 VanDerWaalsContact NZ-CZ 3.29Å; K11-Y74 PolarHBondContact NZ-OH 3.15Å; V27-Y74 HydrophobicContact CG2-CE1 4.39Å; L65-Y74 HydrophobicContact CB-CD1 4.22Å; L65-Y74 HydrophobicContact CD1-CD1 4.17Å; L65-Y74 HydrophobicContact CD1-CG 4.48Å; H66-Y74 WeakPolarHBondContact O-CA 3.36Å; H67-Y74 HydrophobicContact CB-CD1 3.68Å; H67-Y74 HydrophobicContact CB-CE1 3.43Å; H67-Y74 VanDerWaalsContact CB-CE1 3.43Å; H67-Y74 HydrophobicContact CB-CG 4.37Å; H67-Y74 AromaticContact CD2-CE1 3.53Å; H67-Y74 AromaticContact CD2-CZ 3.74Å; H67-Y74 PolarHBondContact CD2-OH 3.13Å; H67-Y74 AromaticContact CG-CE1 3.51Å; Q72-Y74 WeakPolarHBondContact O-CD2 3.45Å; Q72-Y74 WeakPolarHBondContact O-CE2 3.34Å
75W85.8Confident81.4Confident49 Ų4946.7 Ų46.719%0.18624%0.244CC..EExtended strand (participates in β ladder)trans-115.9124178.5-63.487.6000110P5 E6 E7 L65 H66 V73 I77 Q115P5-W75 HydrophobicContact CB-CE3 4.12Å; E6-W75 CarbonylContact O-C 3.59Å; E6-W75 VanDerWaalsContact O-CA 3.31Å; E6-W75 WeakPolarHBondContact O-CA 3.4Å; E7-W75 HydrophobicContact CB-CE3 4.18Å; E7-W75 HydrophobicContact CB-CH2 3.92Å; E7-W75 HydrophobicContact CB-CZ2 4.43Å; E7-W75 HydrophobicContact CB-CZ3 3.79Å; E7-W75 HydrophobicContact CG-CH2 4.11Å; E7-W75 HydrophobicContact CG-CZ2 4.16Å; E7-W75 HydrophobicContact CG-CZ3 4.39Å; L65-W75 CarbonylContact C-O 3.55Å; L65-W75 VanDerWaalsContact CA-O 3.24Å; L65-W75 WeakPolarHBondContact CA-O 3.41Å; H66-W75 HydrophobicContact CB-CB 4.32Å; H66-W75 PolarHBondContact N-O 3.18Å; H66-W75 PolarHBondContact O-N 3.39Å; V73-W75 HydrophobicContact CG1-CZ2 4.27Å; W75-I77 HydrophobicContact CB-CG2 4.4Å; W75-I77 PolarHBondContact O-N 3.11Å; W75-Q115 VanDerWaalsContact CE3-NE2 3.29Å; W75-Q115 VanDerWaalsContact CZ3-NE2 3.34Å
76S85.7Confident81.3Confident11 Ų1146.7 Ų46.78%0.07724%0.244CC..EExtended strand (participates in β ladder)trans-69.9123.2171.8-157.50000109.3L3 P5 E6L3-S76 WeakPolarHBondContact CD1-OG 3.38Å; P5-S76 WeakPolarHBondContact CA-O 3.43Å; E6-S76 PolarHBondContact N-O 3.5Å; E6-S76 PolarHBondContact O-N 3.5Å
77I87.9Confident81.2Confident1 Ų148.1 Ų48.11%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-127.3-17-176.560.7157.6000114.9L3 P5 F26 I64 H66 W75 L93 I118L3-I77 PolarHBondContact N-O 2.77Å; P5-I77 HydrophobicContact CB-CG2 4.49Å; P5-I77 HydrophobicContact CG-CG2 4.42Å; F26-I77 HydrophobicContact CD1-CD1 3.6Å; F26-I77 HydrophobicContact CE1-CD1 3.57Å; I64-I77 HydrophobicContact CB-CG1 4.34Å; I64-I77 HydrophobicContact CG2-CD1 4.02Å; I64-I77 HydrophobicContact CG2-CG1 4.04Å; I64-I77 WeakPolarHBondContact O-CG1 3.39Å; I64-I77 PolarHBondContact O-N 3.36Å; H66-I77 HydrophobicContact CB-CD1 4.15Å; H66-I77 HydrophobicContact CB-CG1 4.42Å; H66-I77 HydrophobicContact CB-CG2 3.98Å; W75-I77 HydrophobicContact CB-CG2 4.4Å; W75-I77 PolarHBondContact O-N 3.11Å; I77-L93 HydrophobicContact CD1-CD1 3.8Å; I77-L93 HydrophobicContact CD1-CD2 4.37Å; I77-I118 HydrophobicContact CB-CG1 4.2Å; I77-I118 HydrophobicContact CB-CG2 4.49Å; I77-I118 HydrophobicContact CD1-CD1 4.35Å; I77-I118 HydrophobicContact CG2-CG1 4.3Å
78A85.8Confident81.2Confident0 Ų053.8 Ų53.80%028%0.278CS..EExtended strand (participates in β ladder)trans-156.1156.4172.800000111.2M1 W2 R63 I64 I86 H89M1-A78 CarbonylContact O-C 3.53Å; M1-A78 VanDerWaalsContact O-CA 3.27Å; M1-A78 WeakPolarHBondContact O-CA 3.26Å; M1-A78 WeakPolarHBondContact O-CB 3.4Å; W2-A78 HydrophobicContact CE3-CB 3.85Å; W2-A78 HydrophobicContact CZ3-CB 4.18Å; R63-A78 CarbonylContact C-O 3.58Å; R63-A78 VanDerWaalsContact CA-O 3.29Å; R63-A78 WeakPolarHBondContact CA-O 3.02Å; I64-A78 HydrophobicContact CB-CB 4.16Å; I64-A78 HydrophobicContact CD1-CB 4.24Å; I64-A78 HydrophobicContact CG1-CB 4.48Å; I64-A78 PolarHBondContact N-O 3.01Å; I64-A78 PolarHBondContact O-N 3.44Å; A78-I86 HydrophobicContact CB-CD1 4.12Å; A78-H89 HydrophobicContact CB-CB 4.4Å
79C83.9Confident81.3Confident19 Ų1954.7 Ų54.713%0.12828%0.282CS..EExtended strand (participates in β ladder)trans-139.9162.3168.369.50000111.1M1 L3 A60 Y62M1-C79 PolarHBondContact N-O 3.39Å; M1-C79 PolarHBondContact O-N 3.37Å; M1-C79 VanDerWaalsContact O-O 3.09Å; L3-C79 HydrophobicContact CD1-CB 3.97Å; A60-C79 HydrophobicContact CB-CB 3.63Å; Y62-C79 CarbonylContact O-C 3.58Å; Y62-C79 VanDerWaalsContact O-CA 3.26Å; Y62-C79 WeakPolarHBondContact O-CA 3.47Å; Y62-C79 WeakPolarHBondContact O-CB 3.46Å
80G76.2Confident82Confident1 Ų151.9 Ų51.91%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-152.5145.1179.800000112.9P61 Y62 E85P61-G80 WeakPolarHBondContact CD-O 3.36Å; Y62-G80 PolarHBondContact N-O 2.94Å; Y62-G80 PolarHBondContact O-N 3.19Å; G80-E85 VanDerWaalsContact CA-OE2 3.24Å; G80-E85 WeakPolarHBondContact CA-OE2 3.44Å
81V67Low82.9Confident54 Ų5448.6 Ų48.633%0.32724%0.244SC..SBendtrans-79.1-39.7179.5-175.30000110.7P61 E85 L144P61-V81 VanDerWaalsContact CG-O 3.22Å; P61-V81 WeakPolarHBondContact CG-O 3.24Å; V81-E85 PolarHBondContact N-OE2 3.17Å; V81-L144 HydrophobicContact CG2-CD2 4.28Å
82T73.9Confident83.6Confident64 Ų6450.9 Ų50.939%0.39325%0.247SC..SBendtrans-109.3166.6177.570.90000111.3Y62 E84 E85Y62-T82 WeakPolarHBondContact CD2-O 3.24Å; T82-E84 VanDerWaalsContact C-N 3.32Å; T82-E84 VanDerWaalsContact CB-OE2 3.3Å; T82-E84 WeakPolarHBondContact CB-OE2 3.3Å; T82-E85 WeakPolarHBondContact OG1-CB 3.2Å; T82-E85 PolarHBondContact OG1-N 3.02Å; T82-E85 VanDerWaalsContact OG1-N 3.15Å
83K78.9Confident84.5Confident72 Ų7242.4 Ų42.431%0.31321%0.207SC..Hα-helixtrans-72.9-35177.4-175159.9178160.90110.6E20 Y62 I86 D87E20-K83 IonicContact OE2-NZ 3.33Å; E20-K83 PolarHBondContact OE2-NZ 3.17Å; Y62-K83 HydrophobicContact CE1-CB 4.3Å; Y62-K83 HydrophobicContact CE1-CD 4.47Å; Y62-K83 HydrophobicContact CE1-CG 4.35Å; Y62-K83 HydrophobicContact CE2-CB 4.12Å; K83-I86 VanDerWaalsContact O-CG2 3.27Å; K83-I86 WeakPolarHBondContact O-CG2 3.32Å; K83-I86 PolarHBondContact O-N 2.98Å; K83-D87 VanDerWaalsContact O-CB 3.24Å; K83-D87 WeakPolarHBondContact O-CB 3.46Å; K83-D87 PolarHBondContact O-N 2.73Å
84E80.6Confident84.9Confident128 Ų12843.8 Ų43.860%0.59821%0.211SC*.Hα-helixtrans-63.3-44.6179.9-61.267.5-150.700110.9T82 D87 Q88T82-E84 VanDerWaalsContact C-N 3.32Å; T82-E84 VanDerWaalsContact CB-OE2 3.3Å; T82-E84 WeakPolarHBondContact CB-OE2 3.3Å; E84-D87 PolarHBondContact O-N 3.47Å; E84-Q88 WeakPolarHBondContact O-CG 3.47Å; E84-Q88 PolarHBondContact O-N 2.81Å; E84-Q88 VanDerWaalsContact O-N 3.12Å
85E79.6Confident85.1Confident53 Ų5349.3 Ų49.325%0.24824%0.238CC..Hα-helixtrans-63-48.1177.4-173.4-161.1167.900111.8M1 G80 V81 T82 D87 Q88 H89M1-E85 PolarHBondContact N-OE1 2.86Å; G80-E85 VanDerWaalsContact CA-OE2 3.24Å; G80-E85 WeakPolarHBondContact CA-OE2 3.44Å; V81-E85 PolarHBondContact N-OE2 3.17Å; T82-E85 WeakPolarHBondContact OG1-CB 3.2Å; T82-E85 PolarHBondContact OG1-N 3.02Å; T82-E85 VanDerWaalsContact OG1-N 3.15Å; E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 3.34Å; E85-Q88 PolarHBondContact O-N 2.92Å; E85-H89 PolarHBondContact O-CD2 3.49Å; E85-H89 PolarHBondContact O-N 3.42Å
86I87.1Confident85.3Confident0 Ų051 Ų510%025%0.25CS..Hα-helixtrans-71.6-30.6-178-161.260.6000112.1L28 Y62 I64 A78 K83 H89 W90L28-I86 HydrophobicContact CD1-CB 4.5Å; L28-I86 HydrophobicContact CD1-CG1 3.9Å; L28-I86 HydrophobicContact CD1-CG2 4.07Å; L28-I86 HydrophobicContact CD2-CG2 4.32Å; L28-I86 HydrophobicContact CG-CG1 4.13Å; Y62-I86 HydrophobicContact CD1-CG2 4.01Å; Y62-I86 HydrophobicContact CD2-CG2 4.26Å; Y62-I86 HydrophobicContact CG-CB 4.44Å; Y62-I86 HydrophobicContact CG-CG2 3.71Å; I64-I86 HydrophobicContact CD1-CD1 3.76Å; I64-I86 HydrophobicContact CD1-CG1 4.04Å; I64-I86 HydrophobicContact CG1-CD1 3.72Å; I64-I86 HydrophobicContact CG1-CG1 3.87Å; A78-I86 HydrophobicContact CB-CD1 4.12Å; K83-I86 VanDerWaalsContact O-CG2 3.27Å; K83-I86 WeakPolarHBondContact O-CG2 3.32Å; K83-I86 PolarHBondContact O-N 2.98Å; I86-H89 PolarHBondContact O-N 3.24Å; I86-W90 PolarHBondContact O-N 3.34Å
87D89.7Confident85.5Confident31 Ų3150.5 Ų50.517%0.16625%0.247CC..Hα-helixtrans-70-33.4176.4-82.8-8.4000111.7K21 K83 E84 E85 H89 W90 D91K21-D87 IonicContact NZ-OD1 3.9Å; K21-D87 PolarHBondContact NZ-OD1 2.84Å; K21-D87 IonicContact NZ-OD2 3.67Å; K21-D87 PolarHBondContact NZ-OD2 2.83Å; K83-D87 VanDerWaalsContact O-CB 3.24Å; K83-D87 WeakPolarHBondContact O-CB 3.46Å; K83-D87 PolarHBondContact O-N 2.73Å; E84-D87 PolarHBondContact O-N 3.47Å; E85-D87 VanDerWaalsContact C-N 3.33Å; E85-D87 PolarHBondContact O-N 3.34Å; D87-H89 PolarHBondContact O-N 2.85Å; D87-W90 WeakPolarHBondContact O-CB 3.47Å; D87-W90 PolarHBondContact O-N 2.99Å; D87-D91 WeakPolarHBondContact O-CB 3.45Å; D87-D91 PolarHBondContact O-N 2.99Å
88Q88.8Confident85.5Confident141 Ų14152.1 Ų52.166%0.65926%0.255SS*.Hα-helixtrans-60.4-44.1169.9-72173.313.600112.2E84 E85 D91 W92E84-Q88 WeakPolarHBondContact O-CG 3.47Å; E84-Q88 PolarHBondContact O-N 2.81Å; E84-Q88 VanDerWaalsContact O-N 3.12Å; E85-Q88 PolarHBondContact O-N 2.92Å; Q88-D91 PolarHBondContact O-N 3.07Å; Q88-W92 WeakPolarHBondContact O-CB 3.32Å; Q88-W92 PolarHBondContact O-N 2.99Å
89H89.2Confident85.4Confident23 Ų2362.4 Ų62.411%0.10629%0.294CS..Hα-helixtrans-64.7-39.3175.3-69.6-63.3000112.1M1 W2 I64 A78 E85 I86 D87 W92 L93M1-H89 WeakPolarHBondContact CA-NE2 3.19Å; M1-H89 PolarHBondContact N-CD2 2.9Å; M1-H89 PolarHBondContact N-NE2 2.89Å; W2-H89 AromaticContact CD2-ND1 3.67Å; W2-H89 AromaticContact CE2-CE1 3.87Å; W2-H89 AromaticContact CE2-ND1 3.21Å; W2-H89 HydrophobicContact CH2-CB 3.89Å; W2-H89 AromaticContact CH2-ND1 3.86Å; W2-H89 WeakPolarHBondContact CH2-O 3.28Å; W2-H89 HydrophobicContact CZ2-CB 4.21Å; W2-H89 AromaticContact CZ2-ND1 3.34Å; W2-H89 VanDerWaalsContact CZ2-ND1 3.34Å; W2-H89 WeakPolarHBondContact CZ2-ND1 3.02Å; W2-H89 HydrophobicContact CZ3-CB 4.15Å; W2-H89 AromaticContact NE1-CE1 3.74Å; W2-H89 AromaticContact NE1-ND1 3.53Å; I64-H89 HydrophobicContact CD1-CB 3.93Å; A78-H89 HydrophobicContact CB-CB 4.4Å; E85-H89 PolarHBondContact O-CD2 3.49Å; E85-H89 PolarHBondContact O-N 3.42Å; I86-H89 PolarHBondContact O-N 3.24Å; D87-H89 PolarHBondContact O-N 2.85Å; H89-W92 PolarHBondContact O-N 3.22Å; H89-L93 WeakPolarHBondContact O-CG 3.32Å; H89-L93 PolarHBondContact O-N 2.73Å; H89-L93 VanDerWaalsContact O-N 3.11Å
90W93.3Very high85.5Confident19 Ų1964.2 Ų64.27%0.07230%0.304CS..Hα-helixtrans-61.3-49.5175.3179.4-93.6000112.4K21 N23 F26 L28 I64 I86 D87 W92 L93 Q94K21-W90 HydrophobicContact CB-CD2 4.44Å; K21-W90 HydrophobicContact CB-CH2 4.01Å; K21-W90 HydrophobicContact CB-CZ2 3.67Å; K21-W90 HydrophobicContact CD-CD2 4.3Å; K21-W90 HydrophobicContact CD-CG 4.24Å; N23-W90 WeakPolarHBondContact ND2-CH2 3.34Å; N23-W90 VanDerWaalsContact ND2-CZ2 3.3Å; N23-W90 WeakPolarHBondContact ND2-CZ2 3.45Å; F26-W90 HydrophobicContact CB-CH2 4.28Å; F26-W90 HydrophobicContact CB-CZ3 3.77Å; F26-W90 WeakPolarHBondContact O-CH2 3.42Å; L28-W90 HydrophobicContact CB-CD2 4.42Å; L28-W90 HydrophobicContact CB-CE3 3.74Å; L28-W90 HydrophobicContact CB-CZ3 3.87Å; L28-W90 HydrophobicContact CD1-CB 3.91Å; L28-W90 HydrophobicContact CD1-CD2 4.24Å; L28-W90 HydrophobicContact CD1-CE3 4.11Å; L28-W90 HydrophobicContact CD1-CG 4.19Å; I64-W90 HydrophobicContact CD1-CB 4.02Å; I64-W90 HydrophobicContact CD1-CE3 4.27Å; I64-W90 HydrophobicContact CG1-CE3 4.31Å; I64-W90 HydrophobicContact CG2-CE3 4.33Å; I64-W90 HydrophobicContact CG2-CZ3 4.46Å; I86-W90 PolarHBondContact O-N 3.34Å; D87-W90 WeakPolarHBondContact O-CB 3.47Å; D87-W90 PolarHBondContact O-N 2.99Å; W90-W92 VanDerWaalsContact C-N 3.28Å; W90-W92 PolarHBondContact O-N 3.24Å; W90-L93 WeakPolarHBondContact O-CB 3.4Å; W90-L93 PolarHBondContact O-N 3.46Å; W90-Q94 WeakPolarHBondContact O-CG 3.32Å; W90-Q94 PolarHBondContact O-N 3.02Å
91D92.3Very high86Confident74 Ų7464.2 Ų64.240%0.39630%0.304SS..Hα-helixtrans-65.6-34.3-179.8-71.2-11.6000111.1D87 Q88 Q94 Q95D87-D91 WeakPolarHBondContact O-CB 3.45Å; D87-D91 PolarHBondContact O-N 2.99Å; Q88-D91 PolarHBondContact O-N 3.07Å; D91-Q94 PolarHBondContact O-N 2.77Å; D91-Q95 WeakPolarHBondContact O-CB 3.45Å; D91-Q95 VanDerWaalsContact O-CG 3.27Å; D91-Q95 WeakPolarHBondContact O-CG 3.37Å; D91-Q95 PolarHBondContact O-N 2.82Å
92W92.8Very high86.7Confident83 Ų8365.7 Ų65.731%0.31432%0.316SS..Hα-helixtrans-62.6-44.9172.6-169.597.7000112.1W2 Q88 H89 W90 Q94 Q95 N96 I97 L121W2-W92 HydrophobicContact CH2-CD2 4.44Å; W2-W92 AromaticContact CH2-CE3 3.78Å; W2-W92 HydrophobicContact CH2-CE3 3.78Å; W2-W92 HydrophobicContact CZ2-CB 4.28Å; W2-W92 HydrophobicContact CZ2-CD2 4.01Å; W2-W92 AromaticContact CZ2-CE3 3.72Å; W2-W92 HydrophobicContact CZ2-CE3 3.72Å; W2-W92 HydrophobicContact CZ2-CG 4.24Å; W2-W92 HydrophobicContact CZ2-CZ3 4.48Å; Q88-W92 WeakPolarHBondContact O-CB 3.32Å; Q88-W92 PolarHBondContact O-N 2.99Å; H89-W92 PolarHBondContact O-N 3.22Å; W90-W92 VanDerWaalsContact C-N 3.28Å; W90-W92 PolarHBondContact O-N 3.24Å; W92-Q94 VanDerWaalsContact C-N 3.34Å; W92-Q94 PolarHBondContact O-N 3.29Å; W92-Q95 PolarHBondContact O-N 2.88Å; W92-N96 HydrophobicContact CD2-CB 4.11Å; W92-N96 HydrophobicContact CE3-CB 4.26Å; W92-N96 HydrophobicContact CH2-CB 3.81Å; W92-N96 HydrophobicContact CZ2-CB 3.67Å; W92-N96 HydrophobicContact CZ3-CB 4.12Å; W92-N96 PolarHBondContact NE1-ND2 2.86Å; W92-N96 WeakPolarHBondContact O-CB 3.42Å; W92-N96 PolarHBondContact O-N 3.28Å; W92-N96 PolarHBondContact O-ND2 3.27Å; W92-I97 HydrophobicContact CH2-CD1 4.14Å; W92-I97 HydrophobicContact CH2-CG1 4.11Å; W92-I97 HydrophobicContact CZ3-CD1 3.59Å; W92-I97 HydrophobicContact CZ3-CG1 3.73Å; W92-L121 HydrophobicContact CE3-CD1 4.03Å; W92-L121 HydrophobicContact CH2-CD1 3.57Å; W92-L121 HydrophobicContact CH2-CD2 3.84Å; W92-L121 HydrophobicContact CH2-CG 4.16Å; W92-L121 HydrophobicContact CZ2-CD1 4.15Å; W92-L121 HydrophobicContact CZ2-CD2 3.67Å; W92-L121 HydrophobicContact CZ2-CG 4.48Å; W92-L121 HydrophobicContact CZ3-CD1 3.48Å; W92-L121 VanDerWaalsContact CZ3-CD1 3.48Å
93L92.3Very high87.2Confident1 Ų167.8 Ų67.81%0.00533%0.329CS..Hα-helixtrans-60.4-43.9174.7-67.3173.3000111.6W2 F26 I64 I77 H89 W90 Q95 I97 M98 I118W2-L93 HydrophobicContact CH2-CD1 4.5Å; W2-L93 HydrophobicContact CH2-CD2 3.82Å; W2-L93 HydrophobicContact CH2-CG 3.81Å; W2-L93 HydrophobicContact CZ3-CD1 4.23Å; W2-L93 HydrophobicContact CZ3-CD2 3.83Å; W2-L93 HydrophobicContact CZ3-CG 3.97Å; F26-L93 HydrophobicContact CD1-CD1 3.84Å; F26-L93 HydrophobicContact CD2-CB 4.38Å; F26-L93 HydrophobicContact CD2-CD1 4.24Å; F26-L93 HydrophobicContact CE1-CD1 4.04Å; F26-L93 HydrophobicContact CE1-CD2 4.24Å; F26-L93 HydrophobicContact CE2-CB 4.23Å; F26-L93 HydrophobicContact CE2-CD1 4.42Å; F26-L93 HydrophobicContact CG-CD1 3.94Å; F26-L93 HydrophobicContact CZ-CD1 4.33Å; F26-L93 HydrophobicContact CZ-CD2 4.07Å; I64-L93 HydrophobicContact CD1-CD1 4.35Å; I64-L93 HydrophobicContact CG2-CD1 3.88Å; I77-L93 HydrophobicContact CD1-CD1 3.8Å; I77-L93 HydrophobicContact CD1-CD2 4.37Å; H89-L93 WeakPolarHBondContact O-CG 3.32Å; H89-L93 PolarHBondContact O-N 2.73Å; H89-L93 VanDerWaalsContact O-N 3.11Å; W90-L93 WeakPolarHBondContact O-CB 3.4Å; W90-L93 PolarHBondContact O-N 3.46Å; L93-Q95 PolarHBondContact O-N 3.26Å; L93-I97 HydrophobicContact CD2-CD1 4Å; L93-I97 PolarHBondContact O-N 2.96Å; L93-M98 PolarHBondContact O-N 3.43Å; L93-M98 VanDerWaalsContact O-N 3.11Å; L93-I118 HydrophobicContact CD2-CD1 4.2Å
94Q88.1Confident87.6Confident69 Ų6967.6 Ų67.632%0.32233%0.328SS..Hα-helixtrans-59.2-45.7178.4-77.4-65.7-47.100112.4N23 W90 D91 W92N23-Q94 PolarHBondContact ND2-NE2 3.4Å; W90-Q94 WeakPolarHBondContact O-CG 3.32Å; W90-Q94 PolarHBondContact O-N 3.02Å; D91-Q94 PolarHBondContact O-N 2.77Å; W92-Q94 VanDerWaalsContact C-N 3.34Å; W92-Q94 PolarHBondContact O-N 3.29Å
95Q89.3Confident87.5Confident143 Ų14370 Ų7067%0.66835%0.345SS*.Hα-helixtrans-78-40.5-176.4-67172.831.800113D91 W92 L93D91-Q95 WeakPolarHBondContact O-CB 3.45Å; D91-Q95 VanDerWaalsContact O-CG 3.27Å; D91-Q95 WeakPolarHBondContact O-CG 3.37Å; D91-Q95 PolarHBondContact O-N 2.82Å; W92-Q95 PolarHBondContact O-N 2.88Å; L93-Q95 PolarHBondContact O-N 3.26Å
96N89Confident87.8Confident83 Ų8369.3 Ų69.344%0.44435%0.347SS..Hα-helixtrans-105-21.7-165.2-61.5-82.6000114.8W92W92-N96 HydrophobicContact CD2-CB 4.11Å; W92-N96 HydrophobicContact CE3-CB 4.26Å; W92-N96 HydrophobicContact CH2-CB 3.81Å; W92-N96 HydrophobicContact CZ2-CB 3.67Å; W92-N96 HydrophobicContact CZ3-CB 4.12Å; W92-N96 PolarHBondContact NE1-ND2 2.86Å; W92-N96 WeakPolarHBondContact O-CB 3.42Å; W92-N96 PolarHBondContact O-N 3.28Å; W92-N96 PolarHBondContact O-ND2 3.27Å
97I90.9Very high87.7Confident2 Ų272 Ų721%0.0136%0.363CS..THydrogen-bonded Turntrans-115.6-43.2-174.8-73.4-169.7000113F26 W92 L93 R99 T100 L101 F113 V114 K117F26-I97 HydrophobicContact CE2-CG2 4.23Å; F26-I97 HydrophobicContact CZ-CG2 3.98Å; W92-I97 HydrophobicContact CH2-CD1 4.14Å; W92-I97 HydrophobicContact CH2-CG1 4.11Å; W92-I97 HydrophobicContact CZ3-CD1 3.59Å; W92-I97 HydrophobicContact CZ3-CG1 3.73Å; L93-I97 HydrophobicContact CD2-CD1 4Å; L93-I97 PolarHBondContact O-N 2.96Å; I97-R99 VanDerWaalsContact C-N 3.32Å; I97-R99 PolarHBondContact O-N 2.89Å; I97-R99 VanDerWaalsContact O-N 3.13Å; I97-T100 PolarHBondContact O-N 3.32Å; I97-L101 HydrophobicContact CG2-CD1 3.7Å; I97-L101 HydrophobicContact CG2-CD2 3.66Å; I97-L101 HydrophobicContact CG2-CG 3.57Å; I97-L101 PolarHBondContact O-N 3.38Å; I97-F113 HydrophobicContact CG2-CE1 4.38Å; I97-V114 HydrophobicContact CG2-CG2 4.43Å; I97-K117 HydrophobicContact CD1-CB 3.85Å; I97-K117 HydrophobicContact CD1-CG 4.3Å
98M87.6Confident87.4Confident35 Ų3577.5 Ų77.517%0.17239%0.388CS..Hα-helixtrans-51.6-43.8-170.3-73.2-64.6-6500114.7N23 Y25 F26 L93 T100 L101N23-M98 HydrophobicContact CB-CE 4.26Å; Y25-M98 HydrophobicContact CD2-CE 3.87Å; Y25-M98 HydrophobicContact CD2-SD 4.04Å; Y25-M98 HydrophobicContact CE2-CE 4.44Å; F26-M98 HydrophobicContact CD2-SD 3.76Å; F26-M98 HydrophobicContact CE2-SD 3.75Å; L93-M98 PolarHBondContact O-N 3.43Å; L93-M98 VanDerWaalsContact O-N 3.11Å; M98-T100 PolarHBondContact O-N 2.91Å; M98-L101 PolarHBondContact O-N 3.11Å
99R83Confident87.3Confident216 Ų21675 Ų7582%0.81538%0.378SS*.Hα-helixtrans-66.5-21179.8-68-175.4-179.8174.32114.2I97 S102I97-R99 VanDerWaalsContact C-N 3.32Å; I97-R99 PolarHBondContact O-N 2.89Å; I97-R99 VanDerWaalsContact O-N 3.13Å; R99-S102 PolarHBondContact O-OG 2.98Å
100T86.1Confident87.2Confident57 Ų5774.2 Ų74.235%0.3538%0.375SS..Hα-helixtrans-89.6-30.3177.6-48.40000111.1I97 M98 S102 V103 F104 F113I97-T100 PolarHBondContact O-N 3.32Å; M98-T100 PolarHBondContact O-N 2.91Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-S102 PolarHBondContact O-N 3.3Å; T100-V103 WeakPolarHBondContact O-CB 3.08Å; T100-V103 PolarHBondContact O-N 2.91Å; T100-F104 HydrophobicContact CG2-CE2 4.12Å; T100-F104 VanDerWaalsContact O-CD2 3.29Å; T100-F104 WeakPolarHBondContact O-CD2 3.29Å; T100-F104 WeakPolarHBondContact O-CE2 3.5Å; T100-F113 HydrophobicContact CG2-CE1 4.11Å; T100-F113 HydrophobicContact CG2-CE2 4.13Å; T100-F113 HydrophobicContact CG2-CZ 3.63Å
101L87.3Confident87Confident0 Ų074.3 Ų74.30%038%0.378CS..Hα-helixtrans-62.7-39.5178.1-58.7-168.7000112.2Y25 F26 I97 M98 V103 F104 I110 F113 V114Y25-L101 HydrophobicContact CD1-CD1 4.14Å; Y25-L101 HydrophobicContact CD2-CB 3.93Å; Y25-L101 HydrophobicContact CD2-CD1 3.65Å; Y25-L101 HydrophobicContact CD2-CG 4.42Å; Y25-L101 HydrophobicContact CE2-CB 3.89Å; Y25-L101 HydrophobicContact CE2-CD1 4.44Å; Y25-L101 HydrophobicContact CG-CB 4.31Å; Y25-L101 HydrophobicContact CG-CD1 3.48Å; Y25-L101 VanDerWaalsContact CG-CD1 3.48Å; F26-L101 HydrophobicContact CE2-CD1 3.75Å; F26-L101 HydrophobicContact CZ-CD1 3.82Å; I97-L101 HydrophobicContact CG2-CD1 3.7Å; I97-L101 HydrophobicContact CG2-CD2 3.66Å; I97-L101 HydrophobicContact CG2-CG 3.57Å; I97-L101 PolarHBondContact O-N 3.38Å; M98-L101 PolarHBondContact O-N 3.11Å; L101-V103 PolarHBondContact O-N 3.14Å; L101-F104 PolarHBondContact O-N 3.2Å; L101-I110 HydrophobicContact CD1-CG2 4.44Å; L101-I110 HydrophobicContact CD2-CG2 4.3Å; L101-F113 HydrophobicContact CD2-CD1 3.55Å; L101-F113 HydrophobicContact CD2-CE1 3.91Å; L101-V114 HydrophobicContact CD1-CG2 3.98Å; L101-V114 HydrophobicContact CD2-CG2 3.69Å
102S81.1Confident86.8Confident85 Ų8574.3 Ų74.359%0.59438%0.384SS*.THydrogen-bonded Turntrans-68.55.6177.161.90000115.4R99 T100R99-S102 PolarHBondContact O-OG 2.98Å; T100-S102 VanDerWaalsContact C-N 3.32Å; T100-S102 PolarHBondContact O-N 3.3Å
103V85.2Confident86.7Confident108 Ų10872.7 Ų72.766%0.65538%0.379SS*.THydrogen-bonded Turntrans-101.7-13.1176.2-173.90000111.6T100 L101T100-V103 WeakPolarHBondContact O-CB 3.08Å; T100-V103 PolarHBondContact O-N 2.91Å; L101-V103 PolarHBondContact O-N 3.14Å
104F85.9Confident86.6Confident68 Ų6872.6 Ų72.630%0.29838%0.379SS..  trans-94.8129.6-179.4-65.5-82.7000111.3T100 L101 S106 D109 I110 F113T100-F104 HydrophobicContact CG2-CE2 4.12Å; T100-F104 VanDerWaalsContact O-CD2 3.29Å; T100-F104 WeakPolarHBondContact O-CD2 3.29Å; T100-F104 WeakPolarHBondContact O-CE2 3.5Å; L101-F104 PolarHBondContact O-N 3.2Å; F104-S106 VanDerWaalsContact C-N 3.34Å; F104-D109 HydrophobicContact CD1-CB 3.84Å; F104-D109 HydrophobicContact CE1-CB 4.45Å; F104-D109 HydrophobicContact CG-CB 4.47Å; F104-I110 HydrophobicContact CB-CD1 4.2Å; F104-I110 HydrophobicContact CB-CG1 3.51Å; F104-I110 HydrophobicContact CD2-CG1 4.29Å; F104-I110 HydrophobicContact CG-CG1 4.19Å; F104-F113 HydrophobicContact CE2-CB 4.03Å; F104-F113 HydrophobicContact CE2-CD1 4.05Å; F104-F113 AromaticContact CE2-CD2 4Å; F104-F113 HydrophobicContact CE2-CD2 4Å; F104-F113 HydrophobicContact CE2-CE2 4.47Å; F104-F113 AromaticContact CE2-CG 3.75Å; F104-F113 HydrophobicContact CE2-CG 3.75Å; F104-F113 HydrophobicContact CZ-CB 3.9Å; F104-F113 HydrophobicContact CZ-CD1 4.5Å; F104-F113 AromaticContact CZ-CD2 3.65Å; F104-F113 HydrophobicContact CZ-CD2 3.65Å; F104-F113 HydrophobicContact CZ-CE2 4.29Å; F104-F113 AromaticContact CZ-CG 3.76Å; F104-F113 HydrophobicContact CZ-CG 3.76Å
105D79.2Confident86.6Confident179 Ų17970.6 Ų70.696%0.95737%0.369SS*.SBendtrans-84.3-7.6177.1-59.5-49.8000113.4
106S86.3Confident86.4Confident39 Ų3965.8 Ų65.827%0.27336%0.358SS..  trans-118.9129.4-174.4170.50000112F104 E108 D109 I110F104-S106 VanDerWaalsContact C-N 3.34Å; S106-E108 VanDerWaalsContact C-N 3.28Å; S106-E108 PolarHBondContact O-N 3.11Å; S106-E108 PolarHBondContact OG-N 3.15Å; S106-D109 VanDerWaalsContact CB-OD2 3.27Å; S106-D109 WeakPolarHBondContact CB-OD2 3.41Å; S106-D109 PolarHBondContact O-N 3.48Å; S106-D109 PolarHBondContact OG-N 2.81Å; S106-I110 WeakPolarHBondContact O-CG1 3.27Å; S106-I110 PolarHBondContact O-N 3.39Å
107T83.9Confident86.5Confident55 Ų5566.8 Ų66.834%0.33736%0.359SS..Hα-helixtrans-66.3-28.4177.152.80000113.1T68 T111T68-T107 HydrophobicContact CG2-CG2 4.38Å; T107-T111 WeakPolarHBondContact O-CB 3.44Å; T107-T111 PolarHBondContact O-N 3.43Å; T107-T111 VanDerWaalsContact O-N 3.08Å; T107-T111 PolarHBondContact O-OG1 3.33Å
108E83.3Confident86.3Confident148 Ų14866.7 Ų66.769%0.69236%0.358SS*.Hα-helixtrans-71.9-38173.9-66.8-172.7171.500111.6S106 T111 S112S106-E108 VanDerWaalsContact C-N 3.28Å; S106-E108 PolarHBondContact O-N 3.11Å; S106-E108 PolarHBondContact OG-N 3.15Å; E108-T111 PolarHBondContact O-N 3.06Å; E108-S112 VanDerWaalsContact O-CB 3.24Å; E108-S112 WeakPolarHBondContact O-CB 3.38Å; E108-S112 PolarHBondContact O-N 2.97Å; E108-S112 PolarHBondContact O-OG 3.28Å
109D86.6Confident86Confident87 Ų8770.7 Ų70.747%0.46537%0.371SS..Hα-helixtrans-70.1-40.9176.6-69.3-31.4000111.2F104 S106 S112 F113F104-D109 HydrophobicContact CD1-CB 3.84Å; F104-D109 HydrophobicContact CE1-CB 4.45Å; F104-D109 HydrophobicContact CG-CB 4.47Å; S106-D109 VanDerWaalsContact CB-OD2 3.27Å; S106-D109 WeakPolarHBondContact CB-OD2 3.41Å; S106-D109 PolarHBondContact O-N 3.48Å; S106-D109 PolarHBondContact OG-N 2.81Å; D109-S112 PolarHBondContact O-N 2.94Å; D109-F113 VanDerWaalsContact O-CB 3.25Å; D109-F113 WeakPolarHBondContact O-CB 3.32Å; D109-F113 PolarHBondContact O-N 3.47Å
110I88.4Confident85.8Confident8 Ų862.2 Ų62.24%0.04135%0.351CS..Hα-helixtrans-56.1-51.8172-69.9169.9000110.3Y25 T68 L101 F104 S106 S112 F113 V114Y25-I110 HydrophobicContact CD1-CG2 3.87Å; Y25-I110 HydrophobicContact CE1-CD1 3.83Å; Y25-I110 HydrophobicContact CE1-CG2 4.09Å; T68-I110 HydrophobicContact CG2-CB 4.14Å; T68-I110 HydrophobicContact CG2-CG2 3.68Å; L101-I110 HydrophobicContact CD1-CG2 4.44Å; L101-I110 HydrophobicContact CD2-CG2 4.3Å; F104-I110 HydrophobicContact CB-CD1 4.2Å; F104-I110 HydrophobicContact CB-CG1 3.51Å; F104-I110 HydrophobicContact CD2-CG1 4.29Å; F104-I110 HydrophobicContact CG-CG1 4.19Å; S106-I110 WeakPolarHBondContact O-CG1 3.27Å; S106-I110 PolarHBondContact O-N 3.39Å; I110-S112 PolarHBondContact O-N 3.23Å; I110-F113 PolarHBondContact O-N 2.93Å; I110-V114 WeakPolarHBondContact O-CG2 3.38Å; I110-V114 PolarHBondContact O-N 3.01Å
111T88.8Confident85.6Confident20 Ų2060.6 Ų60.612%0.12334%0.34CS..Hα-helixtrans-62.6-45.6-180-56.40000110.8H66 T107 E108 F113 V114 Q115H66-T111 WeakPolarHBondContact NE2-CA 3.17Å; T107-T111 WeakPolarHBondContact O-CB 3.44Å; T107-T111 PolarHBondContact O-N 3.43Å; T107-T111 VanDerWaalsContact O-N 3.08Å; T107-T111 PolarHBondContact O-OG1 3.33Å; E108-T111 PolarHBondContact O-N 3.06Å; T111-F113 PolarHBondContact O-N 3.46Å; T111-V114 PolarHBondContact O-N 2.91Å; T111-Q115 HydrophobicContact CG2-CG 4.33Å; T111-Q115 WeakPolarHBondContact O-CB 3.3Å; T111-Q115 VanDerWaalsContact O-CG 3.28Å; T111-Q115 WeakPolarHBondContact O-CG 3.33Å; T111-Q115 PolarHBondContact O-N 3.14Å
112S87.3Confident84.8Confident75 Ų7561.8 Ų61.852%0.52435%0.346SS..Hα-helixtrans-62.9-40.5179-61.90000112.6E108 D109 I110 Q115 G116E108-S112 VanDerWaalsContact O-CB 3.24Å; E108-S112 WeakPolarHBondContact O-CB 3.38Å; E108-S112 PolarHBondContact O-N 2.97Å; E108-S112 PolarHBondContact O-OG 3.28Å; D109-S112 PolarHBondContact O-N 2.94Å; I110-S112 PolarHBondContact O-N 3.23Å; S112-Q115 PolarHBondContact O-N 3.25Å; S112-G116 PolarHBondContact O-N 3.09Å
113F91.6Very high84.1Confident48 Ų4860.6 Ų60.621%0.21134%0.342CS..Hα-helixtrans-64.4-47.7175.1175.3-93.5000111.6I97 T100 L101 F104 D109 I110 T111 G116 K117I97-F113 HydrophobicContact CG2-CE1 4.38Å; T100-F113 HydrophobicContact CG2-CE1 4.11Å; T100-F113 HydrophobicContact CG2-CE2 4.13Å; T100-F113 HydrophobicContact CG2-CZ 3.63Å; L101-F113 HydrophobicContact CD2-CD1 3.55Å; L101-F113 HydrophobicContact CD2-CE1 3.91Å; F104-F113 HydrophobicContact CE2-CB 4.03Å; F104-F113 HydrophobicContact CE2-CD1 4.05Å; F104-F113 AromaticContact CE2-CD2 4Å; F104-F113 HydrophobicContact CE2-CD2 4Å; F104-F113 HydrophobicContact CE2-CE2 4.47Å; F104-F113 AromaticContact CE2-CG 3.75Å; F104-F113 HydrophobicContact CE2-CG 3.75Å; F104-F113 HydrophobicContact CZ-CB 3.9Å; F104-F113 HydrophobicContact CZ-CD1 4.5Å; F104-F113 AromaticContact CZ-CD2 3.65Å; F104-F113 HydrophobicContact CZ-CD2 3.65Å; F104-F113 HydrophobicContact CZ-CE2 4.29Å; F104-F113 AromaticContact CZ-CG 3.76Å; F104-F113 HydrophobicContact CZ-CG 3.76Å; D109-F113 VanDerWaalsContact O-CB 3.25Å; D109-F113 WeakPolarHBondContact O-CB 3.32Å; D109-F113 PolarHBondContact O-N 3.47Å; I110-F113 PolarHBondContact O-N 2.93Å; T111-F113 PolarHBondContact O-N 3.46Å; F113-G116 PolarHBondContact O-N 3.34Å; F113-K117 HydrophobicContact CD1-CG 4.32Å; F113-K117 HydrophobicContact CE1-CG 3.9Å; F113-K117 HydrophobicContact CE2-CG 4.12Å; F113-K117 HydrophobicContact CZ-CD 4.37Å; F113-K117 HydrophobicContact CZ-CG 3.79Å; F113-K117 WeakPolarHBondContact O-CB 3.42Å; F113-K117 WeakPolarHBondContact O-CG 3.33Å; F113-K117 PolarHBondContact O-N 3.31Å
114V90.3Very high83.3Confident0 Ų061.5 Ų61.50%034%0.338CS..Hα-helixtrans-59.5-50175.4171.80000109.9F26 H66 I97 L101 I110 T111 G116 K117 I118F26-V114 HydrophobicContact CE1-CG1 3.95Å; F26-V114 HydrophobicContact CE1-CG2 4.35Å; F26-V114 HydrophobicContact CZ-CG1 4.34Å; F26-V114 HydrophobicContact CZ-CG2 4.04Å; H66-V114 HydrophobicContact CB-CG1 4.16Å; I97-V114 HydrophobicContact CG2-CG2 4.43Å; L101-V114 HydrophobicContact CD1-CG2 3.98Å; L101-V114 HydrophobicContact CD2-CG2 3.69Å; I110-V114 WeakPolarHBondContact O-CG2 3.38Å; I110-V114 PolarHBondContact O-N 3.01Å; T111-V114 PolarHBondContact O-N 2.91Å; V114-G116 VanDerWaalsContact C-N 3.31Å; V114-G116 PolarHBondContact O-N 3.46Å; V114-K117 PolarHBondContact O-N 2.9Å; V114-I118 HydrophobicContact CG1-CG1 4.14Å; V114-I118 VanDerWaalsContact O-CG1 3.32Å; V114-I118 WeakPolarHBondContact O-CG1 3.42Å; V114-I118 PolarHBondContact O-N 3.11Å
115Q88Confident82.2Confident26 Ų2661 Ų6112%0.12134%0.337CS..Hα-helixtrans-58.6-42.8178.7-70.3-165.79.800112.5P5 W75 T111 S112 R119P5-Q115 HydrophobicContact CB-CB 4.31Å; P5-Q115 HydrophobicContact CB-CG 3.62Å; P5-Q115 HydrophobicContact CG-CB 3.94Å; P5-Q115 HydrophobicContact CG-CG 3.78Å; W75-Q115 VanDerWaalsContact CE3-NE2 3.29Å; W75-Q115 VanDerWaalsContact CZ3-NE2 3.34Å; T111-Q115 HydrophobicContact CG2-CG 4.33Å; T111-Q115 WeakPolarHBondContact O-CB 3.3Å; T111-Q115 VanDerWaalsContact O-CG 3.28Å; T111-Q115 WeakPolarHBondContact O-CG 3.33Å; T111-Q115 PolarHBondContact O-N 3.14Å; S112-Q115 PolarHBondContact O-N 3.25Å; Q115-R119 WeakPolarHBondContact O-CB 3.39Å; Q115-R119 VanDerWaalsContact O-CG 3.25Å; Q115-R119 WeakPolarHBondContact O-CG 3.05Å; Q115-R119 PolarHBondContact O-N 3.04Å
116G84.8Confident80.7Confident42 Ų4254.1 Ų54.143%0.43331%0.308SS..Hα-helixtrans-63.6-42.1176.400000112.7S112 F113 V114 G120S112-G116 PolarHBondContact O-N 3.09Å; F113-G116 PolarHBondContact O-N 3.34Å; V114-G116 VanDerWaalsContact C-N 3.31Å; V114-G116 PolarHBondContact O-N 3.46Å; G116-G120 PolarHBondContact O-N 2.88Å
117K90.4Very high79Confident105 Ų10560.6 Ų60.646%0.45733%0.332SS..Hα-helixtrans-67.2-45176.7-78.1-67.1-174.3178.90112.6I97 F113 V114 G120 L121I97-K117 HydrophobicContact CD1-CB 3.85Å; I97-K117 HydrophobicContact CD1-CG 4.3Å; F113-K117 HydrophobicContact CD1-CG 4.32Å; F113-K117 HydrophobicContact CE1-CG 3.9Å; F113-K117 HydrophobicContact CE2-CG 4.12Å; F113-K117 HydrophobicContact CZ-CD 4.37Å; F113-K117 HydrophobicContact CZ-CG 3.79Å; F113-K117 WeakPolarHBondContact O-CB 3.42Å; F113-K117 WeakPolarHBondContact O-CG 3.33Å; F113-K117 PolarHBondContact O-N 3.31Å; V114-K117 PolarHBondContact O-N 2.9Å; K117-G120 WeakPolarHBondContact O-CA 3.44Å; K117-G120 PolarHBondContact O-N 3.43Å; K117-G120 VanDerWaalsContact O-N 3.1Å; K117-L121 WeakPolarHBondContact O-CG 3.39Å; K117-L121 PolarHBondContact O-N 2.96Å
118I87.7Confident77.1Confident0 Ų064 Ų640%035%0.353CS..Hα-helixtrans-62.7-44.3177-62-55.4000110.9W2 L3 P5 I77 L93 V114 G120 L121 I122W2-I118 HydrophobicContact CB-CG2 4.41Å; W2-I118 HydrophobicContact CD2-CD1 4.28Å; W2-I118 HydrophobicContact CE3-CD1 3.59Å; W2-I118 HydrophobicContact CH2-CD1 4.49Å; W2-I118 HydrophobicContact CZ3-CD1 3.72Å; L3-I118 WeakPolarHBondContact O-CG2 3.34Å; P5-I118 HydrophobicContact CG-CB 4.3Å; P5-I118 HydrophobicContact CG-CG2 4.3Å; I77-I118 HydrophobicContact CB-CG1 4.2Å; I77-I118 HydrophobicContact CB-CG2 4.49Å; I77-I118 HydrophobicContact CD1-CD1 4.35Å; I77-I118 HydrophobicContact CG2-CG1 4.3Å; L93-I118 HydrophobicContact CD2-CD1 4.2Å; V114-I118 HydrophobicContact CG1-CG1 4.14Å; V114-I118 VanDerWaalsContact O-CG1 3.32Å; V114-I118 WeakPolarHBondContact O-CG1 3.42Å; V114-I118 PolarHBondContact O-N 3.11Å; I118-G120 VanDerWaalsContact C-N 3.26Å; I118-G120 PolarHBondContact O-N 3.07Å; I118-L121 HydrophobicContact CD1-CD1 4.09Å; I118-L121 PolarHBondContact O-N 2.78Å; I118-I122 HydrophobicContact CG2-CD1 3.91Å; I118-I122 WeakPolarHBondContact O-CD1 3.33Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.22Å; I118-I122 PolarHBondContact O-N 3.27Å
119R80.2Confident75.2Confident119 Ų11959.9 Ų59.945%0.44934%0.34SS..Hα-helixtrans-60-35.6172.3-71.2173.2-171.4148.112112.5Q115 A123Q115-R119 WeakPolarHBondContact O-CB 3.39Å; Q115-R119 VanDerWaalsContact O-CG 3.25Å; Q115-R119 WeakPolarHBondContact O-CG 3.05Å; Q115-R119 PolarHBondContact O-N 3.04Å; R119-A123 WeakPolarHBondContact O-CB 3.44Å; R119-A123 PolarHBondContact O-N 3.28Å; R119-A123 VanDerWaalsContact O-N 3.09Å
120G79.6Confident73Confident38 Ų3862.2 Ų62.239%0.39235%0.352SS..Hα-helixtrans-62.8-46.8172.800000113.2G116 K117 I118 A123 E124G116-G120 PolarHBondContact O-N 2.88Å; K117-G120 WeakPolarHBondContact O-CA 3.44Å; K117-G120 PolarHBondContact O-N 3.43Å; K117-G120 VanDerWaalsContact O-N 3.1Å; I118-G120 VanDerWaalsContact C-N 3.26Å; I118-G120 PolarHBondContact O-N 3.07Å; G120-A123 CarbonylContact O-C 3.56Å; G120-A123 PolarHBondContact O-N 2.99Å; G120-E124 WeakPolarHBondContact O-CB 3.34Å; G120-E124 PolarHBondContact O-N 3.28Å
121L81.4Confident71.1Confident22 Ų2263.9 Ų63.912%0.11536%0.362CS..Hα-helixtrans-63.4-40.6177.2-65.9167.7000112.2W2 W92 K117 I118 A123 E124 E125W2-L121 HydrophobicContact CD2-CD1 4.12Å; W2-L121 HydrophobicContact CG-CB 4.38Å; W2-L121 HydrophobicContact CH2-CD1 4.45Å; W2-L121 HydrophobicContact CZ2-CD1 3.87Å; W92-L121 HydrophobicContact CE3-CD1 4.03Å; W92-L121 HydrophobicContact CH2-CD1 3.57Å; W92-L121 HydrophobicContact CH2-CD2 3.84Å; W92-L121 HydrophobicContact CH2-CG 4.16Å; W92-L121 HydrophobicContact CZ2-CD1 4.15Å; W92-L121 HydrophobicContact CZ2-CD2 3.67Å; W92-L121 HydrophobicContact CZ2-CG 4.48Å; W92-L121 HydrophobicContact CZ3-CD1 3.48Å; W92-L121 VanDerWaalsContact CZ3-CD1 3.48Å; K117-L121 WeakPolarHBondContact O-CG 3.39Å; K117-L121 PolarHBondContact O-N 2.96Å; I118-L121 HydrophobicContact CD1-CD1 4.09Å; I118-L121 PolarHBondContact O-N 2.78Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 2.69Å; L121-E124 PolarHBondContact O-N 2.92Å; L121-E124 VanDerWaalsContact O-N 3.09Å; L121-E125 PolarHBondContact O-N 3.18Å
122I70.6Confident69.1Low26 Ų2668.9 Ų68.913%0.13339%0.388CS..Hα-helixtrans-61.8-41.9175.2-66.5162000110.6W2 L3 I118 E124 G126W2-I122 HydrophobicContact CB-CD1 4.39Å; W2-I122 HydrophobicContact CB-CG1 3.84Å; L3-I122 VanDerWaalsContact C-CD1 3.45Å; I118-I122 HydrophobicContact CG2-CD1 3.91Å; I118-I122 WeakPolarHBondContact O-CD1 3.33Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.22Å; I118-I122 PolarHBondContact O-N 3.27Å; I122-E124 VanDerWaalsContact C-N 3.26Å; I122-E124 PolarHBondContact O-N 3.3Å; I122-G126 PolarHBondContact O-N 2.66Å
123A67.2Low67.6Low60 Ų6067 Ų6750%0.49637%0.37SS..Hα-helixtrans-70.9-18175.200000113.8R119 G120 L121R119-A123 WeakPolarHBondContact O-CB 3.44Å; R119-A123 PolarHBondContact O-N 3.28Å; R119-A123 VanDerWaalsContact O-N 3.09Å; G120-A123 CarbonylContact O-C 3.56Å; G120-A123 PolarHBondContact O-N 2.99Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 2.69Å
124E68Low65.7Low126 Ų12671.2 Ų71.259%0.58940%0.395SS*.Hα-helixtrans-87.3-46.8175.7-166.8162.2-157.300111.2G120 L121 I122 G126 K127G120-E124 WeakPolarHBondContact O-CB 3.34Å; G120-E124 PolarHBondContact O-N 3.28Å; L121-E124 PolarHBondContact O-N 2.92Å; L121-E124 VanDerWaalsContact O-N 3.09Å; I122-E124 VanDerWaalsContact C-N 3.26Å; I122-E124 PolarHBondContact O-N 3.3Å; E124-G126 PolarHBondContact O-N 3.05Å; E124-K127 PolarHBondContact O-N 3.45Å; E124-K127 VanDerWaalsContact O-N 3.08Å
125E63Low64.5Low59 Ų5974 Ų7428%0.27641%0.41SS..Hα-helixtrans-54.3-40.3167.3-75.1-174174.700111.7L121 K127 T128 S129 R140L121-E125 PolarHBondContact O-N 3.18Å; E125-K127 PolarHBondContact O-N 2.89Å; E125-T128 PolarHBondContact O-N 2.76Å; E125-S129 PolarHBondContact O-N 3.03Å; E125-R140 IonicContact OE2-CZ 3.82Å; E125-R140 IonicContact OE2-NH1 3.9Å; E125-R140 PolarHBondContact OE2-NH1 2.95Å; E125-R140 IonicContact OE2-NH2 3.31Å; E125-R140 PolarHBondContact OE2-NH2 3.43Å; E125-R140 VanDerWaalsContact OE2-NH2 3.15Å
126G48.5Very low63.4Low34 Ų3475.7 Ų75.735%0.35142%0.423SS..Hα-helixtrans-66.2-12.8178.700000115.3I122 E124I122-G126 PolarHBondContact O-N 2.66Å; E124-G126 PolarHBondContact O-N 3.05Å
127K48.6Very low62.2Low175 Ų17576.4 Ų76.476%0.76142%0.415SS*.Hα-helixtrans-86-23.9173.1-73172.5-176.8173.40113.2E124 E125E124-K127 PolarHBondContact O-N 3.45Å; E124-K127 VanDerWaalsContact O-N 3.08Å; E125-K127 PolarHBondContact O-N 2.89Å
128T44Very low61.1Low127 Ų12777.1 Ų77.178%0.77942%0.419SS*.Hα-helixtrans-89.2-23.3-177.5-34.90000111.7E125E125-T128 PolarHBondContact O-N 2.76Å
129S43.4Very low60.4Low60 Ų6078 Ų7842%0.4242%0.422SS..SBendtrans-83.8125.2167.9-174.30000110.6E125 V131E125-S129 PolarHBondContact O-N 3.03Å; S129-V131 PolarHBondContact O-N 2.9Å; S129-V131 PolarHBondContact OG-N 2.91Å
130L42Very low60Low137 Ų13775.4 Ų75.472%0.71741%0.413SS*.SBendtrans-66.3-2.9173.8-70.8165.9000113.5L132L130-L132 PolarHBondContact O-N 3.26Å; L130-L132 VanDerWaalsContact O-N 3.09Å
131V48Very low59.6Low43 Ų4375.8 Ų75.826%0.26140%0.404SS..  trans-84.279.7-178-172.80000110.5S129 E133 F139S129-V131 PolarHBondContact O-N 2.9Å; S129-V131 PolarHBondContact OG-N 2.91Å; V131-E133 HydrophobicContact CG1-CB 4Å; V131-E133 HydrophobicContact CG1-CG 3.46Å; V131-E133 VanDerWaalsContact CG1-CG 3.46Å; V131-E133 PolarHBondContact O-N 3.47Å; V131-F139 HydrophobicContact CG1-CD1 3.96Å; V131-F139 HydrophobicContact CG1-CE1 3.92Å; V131-F139 HydrophobicContact CG1-CG 4.34Å; V131-F139 HydrophobicContact CG1-CZ 4.23Å
132L47.5Very low59.5Low125 Ų12574.9 Ų74.965%0.65440%0.4SS*.  trans-7275.1159.8-78.4161.2000109.3L130 R275L130-L132 PolarHBondContact O-N 3.26Å; L130-L132 VanDerWaalsContact O-N 3.09Å; L132-R275 WeakPolarHBondContact O-CD 3.4Å; L132-R275 PolarHBondContact O-NE 3.05Å; L132-R275 PolarHBondContact O-NH1 2.79Å; L132-R275 PolarHBondContact O-NH2 3.33Å
133E54.9Low60Low35 Ų3575.9 Ų75.916%0.16441%0.405CS..  trans-91.9157.2165.2-80.5-71158.800110.3V131 D135 P136 F139 K274V131-E133 HydrophobicContact CG1-CB 4Å; V131-E133 HydrophobicContact CG1-CG 3.46Å; V131-E133 VanDerWaalsContact CG1-CG 3.46Å; V131-E133 PolarHBondContact O-N 3.47Å; E133-D135 PolarHBondContact O-N 2.84Å; E133-P136 WeakPolarHBondContact O-CD 3.45Å; E133-F139 HydrophobicContact CB-CB 4.45Å; E133-F139 HydrophobicContact CG-CD2 3.78Å; E133-F139 HydrophobicContact CG-CE2 4.19Å; E133-F139 HydrophobicContact CG-CG 4.19Å; E133-K274 WeakPolarHBondContact OE1-CB 3.43Å
134D51.8Low60.5Low137 Ų13775 Ų7573%0.73339%0.392SS*.SBendtrans-70.7-19.9-175.7-61.9-16.9000112.4R275D134-R275 IonicContact OD1-NH2 3.7Å; D134-R275 PolarHBondContact OD1-NH2 3.38Å
135D64.4Low61Low58 Ų5871.1 Ų71.131%0.3137%0.372SS..  trans-138.888.2169.5-167.9-37000110.5E133 E137 K138 F139E133-D135 PolarHBondContact O-N 2.84Å; D135-E137 PolarHBondContact O-N 2.98Å; D135-E137 PolarHBondContact OD1-N 3.33Å; D135-K138 HydrophobicContact CB-CB 4.35Å; D135-K138 PolarHBondContact O-N 3.16Å; D135-K138 PolarHBondContact OD1-N 3.18Å; D135-K138 WeakPolarHBondContact OD2-CG 3.33Å; D135-K138 IonicContact OD2-NZ 3.46Å; D135-K138 PolarHBondContact OD2-NZ 3.42Å; D135-F139 PolarHBondContact O-N 3.44Å; D135-F139 VanDerWaalsContact O-N 3.14Å
136P64.6Low62.2Low62 Ų6268.5 Ų68.540%0.40336%0.36SS..Hα-helixtrans-64.1-23-177.3-2434.9000114.1E133 R140E133-P136 WeakPolarHBondContact O-CD 3.45Å; P136-R140 WeakPolarHBondContact O-CB 3.37Å; P136-R140 PolarHBondContact O-N 2.93Å; P136-R140 VanDerWaalsContact O-N 3.12Å
137E60.7Low63.8Low56 Ų5671.7 Ų71.726%0.26237%0.365SS..Hα-helixtrans-76.4-49.6-179.2-67.3178.3-169.700110.5K4 D135 F139 R140 E141K4-E137 WeakPolarHBondContact CB-OE1 3.42Å; K4-E137 VanDerWaalsContact CB-OE2 3.25Å; K4-E137 WeakPolarHBondContact CB-OE2 3.3Å; D135-E137 PolarHBondContact O-N 2.98Å; D135-E137 PolarHBondContact OD1-N 3.33Å; E137-F139 VanDerWaalsContact C-N 3.3Å; E137-F139 PolarHBondContact O-N 2.88Å; E137-R140 PolarHBondContact O-N 3.14Å; E137-R140 VanDerWaalsContact O-N 3.15Å; E137-E141 PolarHBondContact O-N 3.4Å
138K66.8Low65.3Low121 Ų12169.5 Ų69.553%0.52636%0.356SS..Hα-helixtrans-62.6-37174.4-68-168.5-173.390.10112.2D135 R140 E141 A142 Y161D135-K138 HydrophobicContact CB-CB 4.35Å; D135-K138 PolarHBondContact O-N 3.16Å; D135-K138 PolarHBondContact OD1-N 3.18Å; D135-K138 WeakPolarHBondContact OD2-CG 3.33Å; D135-K138 IonicContact OD2-NZ 3.46Å; D135-K138 PolarHBondContact OD2-NZ 3.42Å; K138-R140 VanDerWaalsContact C-N 3.34Å; K138-E141 PolarHBondContact O-N 3.48Å; K138-A142 WeakPolarHBondContact O-CB 3.34Å; K138-A142 PolarHBondContact O-N 3.15Å; K138-Y161 WeakPolarHBondContact CB-OH 3.44Å; K138-Y161 PolarHBondContact O-OH 3.18Å
139F74.4Confident67.2Low18 Ų1866 Ų668%0.07933%0.329CS..Hα-helixtrans-62-41.4173.9-173.4-84.9000111.9V131 E133 D135 E137 A142 L143 L158 Y161V131-F139 HydrophobicContact CG1-CD1 3.96Å; V131-F139 HydrophobicContact CG1-CE1 3.92Å; V131-F139 HydrophobicContact CG1-CG 4.34Å; V131-F139 HydrophobicContact CG1-CZ 4.23Å; E133-F139 HydrophobicContact CB-CB 4.45Å; E133-F139 HydrophobicContact CG-CD2 3.78Å; E133-F139 HydrophobicContact CG-CE2 4.19Å; E133-F139 HydrophobicContact CG-CG 4.19Å; D135-F139 PolarHBondContact O-N 3.44Å; D135-F139 VanDerWaalsContact O-N 3.14Å; E137-F139 VanDerWaalsContact C-N 3.3Å; E137-F139 PolarHBondContact O-N 2.88Å; F139-A142 WeakPolarHBondContact O-CB 3.35Å; F139-A142 PolarHBondContact O-N 2.86Å; F139-L143 PolarHBondContact O-N 2.81Å; F139-L158 HydrophobicContact CZ-CD2 4.34Å; F139-L158 HydrophobicContact CZ-CG 4.31Å; F139-Y161 HydrophobicContact CB-CE1 4.34Å; F139-Y161 HydrophobicContact CD2-CD1 4.13Å; F139-Y161 AromaticContact CD2-CE1 3.98Å; F139-Y161 HydrophobicContact CD2-CE1 3.98Å
140R71.7Confident69.2Low65 Ų6563.4 Ų63.425%0.24531%0.31CS..Hα-helixtrans-65.7-38.2176.7-148.5-176.1-53.5-177.2-0.2112.1M1 E125 P136 E137 K138 L143 L144M1-R140 HydrophobicContact CE-CB 4.36Å; M1-R140 HydrophobicContact CE-CG 4.44Å; M1-R140 HydrophobicContact SD-CG 4.4Å; E125-R140 IonicContact OE2-CZ 3.82Å; E125-R140 IonicContact OE2-NH1 3.9Å; E125-R140 PolarHBondContact OE2-NH1 2.95Å; E125-R140 IonicContact OE2-NH2 3.31Å; E125-R140 PolarHBondContact OE2-NH2 3.43Å; E125-R140 VanDerWaalsContact OE2-NH2 3.15Å; P136-R140 WeakPolarHBondContact O-CB 3.37Å; P136-R140 PolarHBondContact O-N 2.93Å; P136-R140 VanDerWaalsContact O-N 3.12Å; E137-R140 PolarHBondContact O-N 3.14Å; E137-R140 VanDerWaalsContact O-N 3.15Å; K138-R140 VanDerWaalsContact C-N 3.34Å; R140-L143 PolarHBondContact O-N 3.07Å; R140-L144 WeakPolarHBondContact O-CG 3.29Å; R140-L144 PolarHBondContact O-N 2.89Å; R140-L144 VanDerWaalsContact O-N 3.12Å
141E70.8Confident70.9Confident45 Ų4561.3 Ų61.321%0.2130%0.296CS..Hα-helixtrans-64.3-40.8172.4-159.1-160.6171.600111.9V59 E137 K138 L143 L144 R145V59-E141 HydrophobicContact CG2-CG 4.03Å; V59-E141 WeakPolarHBondContact CG2-OE1 3.4Å; E137-E141 PolarHBondContact O-N 3.4Å; K138-E141 PolarHBondContact O-N 3.48Å; E141-L143 VanDerWaalsContact C-N 3.35Å; E141-L143 PolarHBondContact O-N 3.42Å; E141-L144 PolarHBondContact O-N 3.05Å; E141-R145 VanDerWaalsContact O-CG 3.29Å; E141-R145 WeakPolarHBondContact O-CG 3.27Å; E141-R145 PolarHBondContact O-N 3.02Å; E141-R145 IonicContact OE1-CZ 3.3Å; E141-R145 VanDerWaalsContact OE1-CZ 3.24Å; E141-R145 IonicContact OE1-NE 2.68Å; E141-R145 PolarHBondContact OE1-NE 3.43Å; E141-R145 VanDerWaalsContact OE1-NE 3.13Å; E141-R145 IonicContact OE1-NH2 3.63Å; E141-R145 PolarHBondContact OE1-NH2 3.39Å; E141-R145 IonicContact OE2-CZ 3.7Å; E141-R145 IonicContact OE2-NH2 2.69Å; E141-R145 PolarHBondContact OE2-NH2 3.06Å
142A79.6Confident72.5Confident3 Ų360.4 Ų60.43%0.02529%0.29CS..Hα-helixtrans-62.9-39.6176.100000112.3K138 F139 R145 F146 L158 Y161 Y178K138-A142 WeakPolarHBondContact O-CB 3.34Å; K138-A142 PolarHBondContact O-N 3.15Å; F139-A142 WeakPolarHBondContact O-CB 3.35Å; F139-A142 PolarHBondContact O-N 2.86Å; A142-R145 PolarHBondContact O-N 3.28Å; A142-F146 WeakPolarHBondContact O-CB 3.29Å; A142-F146 PolarHBondContact O-N 3.38Å; A142-L158 HydrophobicContact CB-CD2 4.39Å; A142-Y161 HydrophobicContact CB-CD1 3.51Å; A142-Y161 HydrophobicContact CB-CD2 3.64Å; A142-Y161 HydrophobicContact CB-CE1 3.54Å; A142-Y161 HydrophobicContact CB-CE2 3.65Å; A142-Y161 HydrophobicContact CB-CG 3.6Å; A142-Y178 HydrophobicContact CB-CE1 4.09Å; A142-Y178 VanDerWaalsContact O-CE1 3.31Å; A142-Y178 WeakPolarHBondContact O-CE1 3.36Å
143L80.6Confident73.9Confident47 Ų4755 Ų5525%0.24626%0.262CS..Hα-helixtrans-61.3-49.8174.2179.464.6000111.9F139 R140 E141 R145 F146 E147 L158F139-L143 PolarHBondContact O-N 2.81Å; R140-L143 PolarHBondContact O-N 3.07Å; E141-L143 VanDerWaalsContact C-N 3.35Å; E141-L143 PolarHBondContact O-N 3.42Å; L143-R145 VanDerWaalsContact C-N 3.26Å; L143-R145 PolarHBondContact O-N 3.17Å; L143-F146 HydrophobicContact CD1-CD1 4.4Å; L143-F146 WeakPolarHBondContact O-CB 3.23Å; L143-F146 PolarHBondContact O-N 3.37Å; L143-F146 VanDerWaalsContact O-N 3.07Å; L143-E147 HydrophobicContact CD1-CG 4.35Å; L143-E147 WeakPolarHBondContact O-CG 3.37Å; L143-E147 PolarHBondContact O-N 2.92Å; L143-L158 HydrophobicContact CB-CD2 4.3Å; L143-L158 HydrophobicContact CD1-CB 3.8Å; L143-L158 HydrophobicContact CD1-CD2 4.47Å
144L76.4Confident74.9Confident43 Ų4358 Ų5823%0.22529%0.293CS..Hα-helixtrans-60.4-36.2177.5-68.7172.2000112.5M1 V59 V81 R140 E141 K148M1-L144 HydrophobicContact SD-CD1 4.39Å; V59-L144 HydrophobicContact CG1-CB 3.75Å; V59-L144 HydrophobicContact CG1-CD1 4.17Å; V81-L144 HydrophobicContact CG2-CD2 4.28Å; R140-L144 WeakPolarHBondContact O-CG 3.29Å; R140-L144 PolarHBondContact O-N 2.89Å; R140-L144 VanDerWaalsContact O-N 3.12Å; E141-L144 PolarHBondContact O-N 3.05Å; L144-K148 WeakPolarHBondContact O-CB 3.21Å; L144-K148 PolarHBondContact O-N 3.25Å; L144-K148 VanDerWaalsContact O-N 3.14Å
145R80.4Confident76.4Confident44 Ų4456.5 Ų56.517%0.16628%0.282CS..Hα-helixtrans-67.4-42.4173.6-71.9170.7-179-168.15.1111.7V59 E141 A142 L143 W149V59-R145 HydrophobicContact CG2-CG 4.11Å; E141-R145 VanDerWaalsContact O-CG 3.29Å; E141-R145 WeakPolarHBondContact O-CG 3.27Å; E141-R145 PolarHBondContact O-N 3.02Å; E141-R145 IonicContact OE1-CZ 3.3Å; E141-R145 VanDerWaalsContact OE1-CZ 3.24Å; E141-R145 IonicContact OE1-NE 2.68Å; E141-R145 PolarHBondContact OE1-NE 3.43Å; E141-R145 VanDerWaalsContact OE1-NE 3.13Å; E141-R145 IonicContact OE1-NH2 3.63Å; E141-R145 PolarHBondContact OE1-NH2 3.39Å; E141-R145 IonicContact OE2-CZ 3.7Å; E141-R145 IonicContact OE2-NH2 2.69Å; E141-R145 PolarHBondContact OE2-NH2 3.06Å; A142-R145 PolarHBondContact O-N 3.28Å; L143-R145 VanDerWaalsContact C-N 3.26Å; L143-R145 PolarHBondContact O-N 3.17Å; R145-W149 HydrophobicContact CB-CD2 4.36Å; R145-W149 HydrophobicContact CB-CE3 3.91Å; R145-W149 HydrophobicContact CB-CH2 3.91Å; R145-W149 HydrophobicContact CB-CZ2 4.34Å; R145-W149 HydrophobicContact CB-CZ3 3.7Å; R145-W149 HydrophobicContact CG-CH2 3.96Å; R145-W149 HydrophobicContact CG-CZ2 4.27Å; R145-W149 HydrophobicContact CG-CZ3 4.27Å; R145-W149 WeakPolarHBondContact O-CB 3.42Å; R145-W149 VanDerWaalsContact O-CD2 3.28Å; R145-W149 VanDerWaalsContact O-CG 3.26Å; R145-W149 PolarHBondContact O-N 3.4Å
146F86.4Confident77.4Confident4 Ų454.2 Ų54.22%0.01827%0.269CS..Hα-helixtrans-60.8-52.7176.7169.4-98.5000111.7A142 L143 K148 W149 F150 L152 E156 L158 Y178 C185A142-F146 WeakPolarHBondContact O-CB 3.29Å; A142-F146 PolarHBondContact O-N 3.38Å; L143-F146 HydrophobicContact CD1-CD1 4.4Å; L143-F146 WeakPolarHBondContact O-CB 3.23Å; L143-F146 PolarHBondContact O-N 3.37Å; L143-F146 VanDerWaalsContact O-N 3.07Å; F146-K148 PolarHBondContact O-N 2.82Å; F146-W149 PolarHBondContact O-N 2.84Å; F146-F150 HydrophobicContact CB-CD2 4.38Å; F146-F150 AromaticContact CD2-CD2 3.42Å; F146-F150 HydrophobicContact CD2-CD2 3.42Å; F146-F150 VanDerWaalsContact CD2-CD2 3.42Å; F146-F150 AromaticContact CD2-CE2 3.87Å; F146-F150 HydrophobicContact CD2-CE2 3.87Å; F146-F150 HydrophobicContact CD2-CG 4.39Å; F146-F150 AromaticContact CE2-CD2 3.96Å; F146-F150 HydrophobicContact CE2-CD2 3.96Å; F146-F150 HydrophobicContact CG-CD2 4.08Å; F146-F150 VanDerWaalsContact O-CD2 3.24Å; F146-F150 WeakPolarHBondContact O-CD2 3.24Å; F146-F150 PolarHBondContact O-N 3.34Å; F146-L152 HydrophobicContact CE1-CD1 4.46Å; F146-L152 HydrophobicContact CE2-CD1 4.03Å; F146-L152 HydrophobicContact CZ-CD1 3.64Å; F146-E156 HydrophobicContact CZ-CG 4.22Å; F146-L158 HydrophobicContact CB-CD2 4.4Å; F146-L158 HydrophobicContact CD1-CB 4.25Å; F146-L158 HydrophobicContact CD2-CD1 4.06Å; F146-L158 HydrophobicContact CE1-CB 4.43Å; F146-L158 HydrophobicContact CE2-CD1 4.36Å; F146-L158 HydrophobicContact CG-CD1 4.22Å; F146-Y178 HydrophobicContact CB-CD1 3.84Å; F146-Y178 HydrophobicContact CB-CE1 4.07Å; F146-Y178 HydrophobicContact CB-CG 4.41Å; F146-Y178 HydrophobicContact CD2-CD1 4.12Å; F146-Y178 AromaticContact CD2-CG 3.99Å; F146-Y178 HydrophobicContact CD2-CG 3.99Å; F146-Y178 HydrophobicContact CG-CD1 4.39Å; F146-C185 HydrophobicContact CE2-CB 4.16Å
147E83.3Confident78.4Confident101 Ų10155.5 Ų55.547%0.47227%0.268SS..Hα-helixtrans-56.3-49.6177.4-69.5170.4175.800111.3L143 W149 E151L143-E147 HydrophobicContact CD1-CG 4.35Å; L143-E147 WeakPolarHBondContact O-CG 3.37Å; L143-E147 PolarHBondContact O-N 2.92Å; E147-W149 PolarHBondContact O-N 2.94Å; E147-E151 PolarHBondContact O-N 3.37Å
148K80.6Confident79.8Confident129 Ų12953.5 Ų53.556%0.56126%0.259SS*.Hα-helixtrans-60.3-40.8179.2178.5177.7-180175.10113.6L144 F146L144-K148 WeakPolarHBondContact O-CB 3.21Å; L144-K148 PolarHBondContact O-N 3.25Å; L144-K148 VanDerWaalsContact O-N 3.14Å; F146-K148 PolarHBondContact O-N 2.82Å
149W83.5Confident81Confident54 Ų5447.9 Ų47.921%0.20524%0.235CC..Hα-helixtrans-87.9-34.2-172.8-68.3-34.3000113.5R145 F146 E147 Y178 Y187 K196R145-W149 HydrophobicContact CB-CD2 4.36Å; R145-W149 HydrophobicContact CB-CE3 3.91Å; R145-W149 HydrophobicContact CB-CH2 3.91Å; R145-W149 HydrophobicContact CB-CZ2 4.34Å; R145-W149 HydrophobicContact CB-CZ3 3.7Å; R145-W149 HydrophobicContact CG-CH2 3.96Å; R145-W149 HydrophobicContact CG-CZ2 4.27Å; R145-W149 HydrophobicContact CG-CZ3 4.27Å; R145-W149 WeakPolarHBondContact O-CB 3.42Å; R145-W149 VanDerWaalsContact O-CD2 3.28Å; R145-W149 VanDerWaalsContact O-CG 3.26Å; R145-W149 PolarHBondContact O-N 3.4Å; F146-W149 PolarHBondContact O-N 2.84Å; E147-W149 PolarHBondContact O-N 2.94Å; W149-Y178 HydrophobicContact CE3-CE2 4.09Å; W149-Y178 AromaticContact CZ3-CE2 3.94Å; W149-Y178 HydrophobicContact CZ3-CE2 3.94Å; W149-Y178 AromaticContact CZ3-CZ 3.95Å; W149-Y178 VanDerWaalsContact CZ3-OH 3.28Å; W149-Y178 WeakPolarHBondContact CZ3-OH 3.48Å; W149-Y187 HydrophobicContact CB-CD2 3.94Å; W149-Y187 HydrophobicContact CB-CE2 4.26Å; W149-Y187 HydrophobicContact CB-CG 4.46Å; W149-Y187 AromaticContact CD1-CE2 3.72Å; W149-Y187 AromaticContact CD1-CZ 3.87Å; W149-Y187 AromaticContact CD2-CD1 3.65Å; W149-Y187 HydrophobicContact CD2-CD1 3.65Å; W149-Y187 AromaticContact CD2-CD2 3.8Å; W149-Y187 HydrophobicContact CD2-CD2 3.8Å; W149-Y187 AromaticContact CD2-CE1 3.86Å; W149-Y187 HydrophobicContact CD2-CE1 3.86Å; W149-Y187 AromaticContact CD2-CE2 3.98Å; W149-Y187 HydrophobicContact CD2-CE2 3.98Å; W149-Y187 AromaticContact CD2-CG 3.62Å; W149-Y187 HydrophobicContact CD2-CG 3.62Å; W149-Y187 AromaticContact CE2-CD1 3.72Å; W149-Y187 AromaticContact CE2-CE1 3.48Å; W149-Y187 VanDerWaalsContact CE2-CE1 3.48Å; W149-Y187 AromaticContact CE2-CZ 3.71Å; W149-Y187 AromaticContact CE3-CD1 3.51Å; W149-Y187 HydrophobicContact CE3-CD1 3.51Å; W149-Y187 HydrophobicContact CE3-CD2 4.07Å; W149-Y187 HydrophobicContact CE3-CE1 4.17Å; W149-Y187 AromaticContact CE3-CG 3.45Å; W149-Y187 HydrophobicContact CE3-CG 3.45Å; W149-Y187 VanDerWaalsContact CE3-CG 3.45Å; W149-Y187 HydrophobicContact CG-CD1 4.43Å; W149-Y187 AromaticContact CG-CD2 3.73Å; W149-Y187 HydrophobicContact CG-CD2 3.73Å; W149-Y187 HydrophobicContact CG-CE1 4.47Å; W149-Y187 AromaticContact CG-CE2 3.77Å; W149-Y187 HydrophobicContact CG-CE2 3.77Å; W149-Y187 HydrophobicContact CG-CG 4.07Å; W149-Y187 AromaticContact CH2-CD1 3.59Å; W149-Y187 HydrophobicContact CH2-CD1 3.59Å; W149-Y187 AromaticContact CH2-CE1 3.86Å; W149-Y187 HydrophobicContact CH2-CE1 3.86Å; W149-Y187 HydrophobicContact CH2-CG 4.4Å; W149-Y187 AromaticContact CZ2-CD1 3.74Å; W149-Y187 HydrophobicContact CZ2-CD1 3.74Å; W149-Y187 AromaticContact CZ2-CE1 3.52Å; W149-Y187 HydrophobicContact CZ2-CE1 3.52Å; W149-Y187 AromaticContact CZ3-CD1 3.45Å; W149-Y187 HydrophobicContact CZ3-CD1 3.45Å; W149-Y187 VanDerWaalsContact CZ3-CD1 3.45Å; W149-Y187 HydrophobicContact CZ3-CE1 4.14Å; W149-Y187 AromaticContact CZ3-CG 3.85Å; W149-Y187 HydrophobicContact CZ3-CG 3.85Å; W149-Y187 AromaticContact NE1-CE1 3.85Å; W149-Y187 AromaticContact NE1-CE2 3.94Å; W149-Y187 AromaticContact NE1-CZ 3.58Å; W149-K196 WeakPolarHBondContact O-CD 3.37Å; W149-K196 WeakPolarHBondContact O-CE 3.36Å; W149-K196 PolarHBondContact O-NZ 3.19Å
150F84.6Confident81.8Confident5 Ų547.3 Ų47.32%0.02223%0.233CC..Hα-helixtrans-95.5-22.2-170.9-60.9-69.8000114.4F146 L152 Y178 C185 K196 L197 I198F146-F150 HydrophobicContact CB-CD2 4.38Å; F146-F150 AromaticContact CD2-CD2 3.42Å; F146-F150 HydrophobicContact CD2-CD2 3.42Å; F146-F150 VanDerWaalsContact CD2-CD2 3.42Å; F146-F150 AromaticContact CD2-CE2 3.87Å; F146-F150 HydrophobicContact CD2-CE2 3.87Å; F146-F150 HydrophobicContact CD2-CG 4.39Å; F146-F150 AromaticContact CE2-CD2 3.96Å; F146-F150 HydrophobicContact CE2-CD2 3.96Å; F146-F150 HydrophobicContact CG-CD2 4.08Å; F146-F150 VanDerWaalsContact O-CD2 3.24Å; F146-F150 WeakPolarHBondContact O-CD2 3.24Å; F146-F150 PolarHBondContact O-N 3.34Å; F150-L152 HydrophobicContact CB-CD1 3.92Å; F150-L152 HydrophobicContact CB-CG 3.95Å; F150-L152 PolarHBondContact O-N 3.23Å; F150-Y178 AromaticContact CE2-CD2 3.62Å; F150-Y178 HydrophobicContact CE2-CD2 3.62Å; F150-Y178 HydrophobicContact CE2-CE2 4.13Å; F150-Y178 HydrophobicContact CE2-CG 4.1Å; F150-Y178 HydrophobicContact CZ-CD2 4.01Å; F150-C185 HydrophobicContact CD1-CB 3.88Å; F150-C185 HydrophobicContact CD2-CB 3.98Å; F150-C185 HydrophobicContact CE1-CB 3.66Å; F150-C185 HydrophobicContact CE2-CB 3.79Å; F150-C185 HydrophobicContact CG-CB 4.05Å; F150-C185 HydrophobicContact CZ-CB 3.62Å; F150-K196 HydrophobicContact CD1-CD 4.44Å; F150-K196 HydrophobicContact CD1-CG 4.12Å; F150-K196 HydrophobicContact CE1-CG 3.98Å; F150-K196 PolarHBondContact O-NZ 2.88Å; F150-L197 WeakPolarHBondContact CE1-O 3.46Å; F150-I198 HydrophobicContact CB-CD1 4.21Å; F150-I198 HydrophobicContact CD1-CD1 3.93Å; F150-I198 HydrophobicContact CD1-CG1 3.65Å; F150-I198 HydrophobicContact CE1-CG1 4.31Å
151E77.7Confident82.7Confident93 Ų9346.5 Ų46.544%0.43523%0.23SC..  trans59.427.4-179.2-54.2174.8154.800113.1E147E147-E151 PolarHBondContact O-N 3.37Å
152L82.1Confident83.5Confident23 Ų2345.7 Ų45.712%0.1223%0.225CC..  trans-74.9158177.6-65.8169.9000110.9F146 F150 E156 F183F146-L152 HydrophobicContact CE1-CD1 4.46Å; F146-L152 HydrophobicContact CE2-CD1 4.03Å; F146-L152 HydrophobicContact CZ-CD1 3.64Å; F150-L152 HydrophobicContact CB-CD1 3.92Å; F150-L152 HydrophobicContact CB-CG 3.95Å; F150-L152 PolarHBondContact O-N 3.23Å; L152-E156 HydrophobicContact CB-CB 4.29Å; L152-E156 HydrophobicContact CB-CG 4.42Å; L152-E156 HydrophobicContact CD1-CG 4.26Å; L152-F183 HydrophobicContact CD1-CD2 4.22Å; L152-F183 HydrophobicContact CD2-CD2 4.36Å; L152-F183 HydrophobicContact CD2-CE2 4.27Å
153P77.3Confident83.8Confident12 Ų1247.8 Ų47.88%0.07824%0.24CC..  trans-59.4145.3179.7-24.936.8000112.2Q155 E156 W819 K1133P153-Q155 PolarHBondContact O-N 3.41Å; P153-E156 VanDerWaalsContact O-CB 3.26Å; P153-E156 WeakPolarHBondContact O-CB 3.1Å; P153-E156 PolarHBondContact O-N 2.97Å; P153-W819 HydrophobicContact CB-CZ2 4.26Å; P153-W819 HydrophobicContact CG-CD2 4.48Å; P153-W819 HydrophobicContact CG-CE3 4.37Å; P153-W819 HydrophobicContact CG-CH2 3.55Å; P153-W819 HydrophobicContact CG-CZ2 3.66Å; P153-W819 HydrophobicContact CG-CZ3 3.94Å; P153-K1133 HydrophobicContact CB-CB 4.44Å; P153-K1133 HydrophobicContact CB-CD 4.21Å; P153-K1133 HydrophobicContact CG-CB 3.92Å; P153-K1133 HydrophobicContact CG-CD 3.55Å; P153-K1133 HydrophobicContact CG-CG 4.34Å
154A75.4Confident84.1Confident98 Ų9845.6 Ų45.681%0.8123%0.228SC*.THydrogen-bonded Turntrans-61.8-11.2-177.900000114.9
155Q82.5Confident84.6Confident106 Ų10644.3 Ų44.350%0.49522%0.223SC..THydrogen-bonded Turntrans-82.7-12.8171.8-59.578.616.400113.1P153 L270 W819P153-Q155 PolarHBondContact O-N 3.41Å; Q155-L270 WeakPolarHBondContact O-CD2 3.49Å; Q155-W819 HydrophobicContact CB-CB 4.12Å; Q155-W819 HydrophobicContact CB-CG 3.94Å
156E86.6Confident85.1Confident10 Ų1043.2 Ų43.25%0.04722%0.219CC..PPolyproline II helixtrans-76122176.9-173.259.8-159.100110.5F146 L152 P153 S180 T181 N182 F183 W819F146-E156 HydrophobicContact CZ-CG 4.22Å; L152-E156 HydrophobicContact CB-CB 4.29Å; L152-E156 HydrophobicContact CB-CG 4.42Å; L152-E156 HydrophobicContact CD1-CG 4.26Å; P153-E156 VanDerWaalsContact O-CB 3.26Å; P153-E156 WeakPolarHBondContact O-CB 3.1Å; P153-E156 PolarHBondContact O-N 2.97Å; E156-S180 WeakPolarHBondContact OE1-CB 3.32Å; E156-S180 PolarHBondContact OE1-OG 2.97Å; E156-T181 PolarHBondContact OE1-N 3.25Å; E156-N182 PolarHBondContact OE1-N 3.5Å; E156-N182 PolarHBondContact OE2-ND2 3.03Å; E156-F183 HydrophobicContact CG-CD2 4.23Å; E156-W819 HydrophobicContact CB-CZ2 4.32Å; E156-W819 PolarHBondContact OE2-NE1 3.27Å
157K86Confident85.1Confident89 Ų8944.8 Ų44.839%0.38723%0.225SC..PPolyproline II helixtrans-102.1127-176.9-65.8-148.4-178.3170.90112.2V159 S180 T181 L270K157-V159 PolarHBondContact O-N 2.79Å; K157-S180 CarbonylContact O-C 3.49Å; K157-S180 WeakPolarHBondContact O-CA 3.42Å; K157-S180 WeakPolarHBondContact O-CB 3.38Å; K157-T181 PolarHBondContact O-N 2.93Å; K157-L270 VanDerWaalsContact CD-O 3.23Å; K157-L270 WeakPolarHBondContact CD-O 3.33Å; K157-L270 WeakPolarHBondContact CE-O 3.48Å; K157-L270 PolarHBondContact NZ-O 3.22Å
158L90.2Very high85.1Confident13 Ų1346.6 Ų46.67%0.06823%0.231CC..EExtended strand (participates in β ladder)trans-65125.7165-175.566.3000109F139 A142 L143 F146 T160 Y178F139-L158 HydrophobicContact CZ-CD2 4.34Å; F139-L158 HydrophobicContact CZ-CG 4.31Å; A142-L158 HydrophobicContact CB-CD2 4.39Å; L143-L158 HydrophobicContact CB-CD2 4.3Å; L143-L158 HydrophobicContact CD1-CB 3.8Å; L143-L158 HydrophobicContact CD1-CD2 4.47Å; F146-L158 HydrophobicContact CB-CD2 4.4Å; F146-L158 HydrophobicContact CD1-CB 4.25Å; F146-L158 HydrophobicContact CD2-CD1 4.06Å; F146-L158 HydrophobicContact CE1-CB 4.43Å; F146-L158 HydrophobicContact CE2-CD1 4.36Å; F146-L158 HydrophobicContact CG-CD1 4.22Å; L158-T160 WeakPolarHBondContact CD1-O 3.32Å; L158-Y178 HydrophobicContact CD1-CD1 3.79Å; L158-Y178 HydrophobicContact CD1-CG 4.35Å; L158-Y178 HydrophobicContact CD2-CD1 4.12Å
159V90.3Very high85Confident4 Ų443.6 Ų43.62%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-93-45.3177.8176.80000110.1K157 L179 L246 I272 K274 L277K157-V159 PolarHBondContact O-N 2.79Å; V159-L179 WeakPolarHBondContact CA-O 3.48Å; V159-L179 WeakPolarHBondContact CB-O 3.48Å; V159-L179 PolarHBondContact N-O 2.89Å; V159-L246 HydrophobicContact CG2-CD2 4.33Å; V159-I272 HydrophobicContact CG2-CG2 4.22Å; V159-K274 HydrophobicContact CG1-CB 4.49Å; V159-L277 HydrophobicContact CG1-CD1 3.7Å
160T91.1Very high84.7Confident5 Ų549.9 Ų49.93%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-165.2171.7176.7-1660000111.7L158 Y162 L179 I242L158-T160 WeakPolarHBondContact CD1-O 3.32Å; T160-Y162 HydrophobicContact CG2-CD2 4.37Å; T160-Y162 HydrophobicContact CG2-CE2 3.46Å; T160-Y162 VanDerWaalsContact CG2-CE2 3.46Å; T160-L179 HydrophobicContact CG2-CB 4.15Å; T160-L179 HydrophobicContact CG2-CD1 4.06Å; T160-L179 HydrophobicContact CG2-CG 4.34Å; T160-L179 PolarHBondContact N-O 3.38Å; T160-L179 VanDerWaalsContact N-O 3.15Å; T160-L179 PolarHBondContact O-N 3.41Å; T160-I242 HydrophobicContact CG2-CG2 3.98Å
161Y91.7Very high84.5Confident49 Ų4954 Ų5419%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-148.3149.9-179.272.2-72.6000111.6K138 F139 A142 W176 L177 Y178K138-Y161 WeakPolarHBondContact CB-OH 3.44Å; K138-Y161 PolarHBondContact O-OH 3.18Å; F139-Y161 HydrophobicContact CB-CE1 4.34Å; F139-Y161 HydrophobicContact CD2-CD1 4.13Å; F139-Y161 AromaticContact CD2-CE1 3.98Å; F139-Y161 HydrophobicContact CD2-CE1 3.98Å; A142-Y161 HydrophobicContact CB-CD1 3.51Å; A142-Y161 HydrophobicContact CB-CD2 3.64Å; A142-Y161 HydrophobicContact CB-CE1 3.54Å; A142-Y161 HydrophobicContact CB-CE2 3.65Å; A142-Y161 HydrophobicContact CB-CG 3.6Å; Y161-W176 AromaticContact CD2-CE3 3.68Å; Y161-W176 HydrophobicContact CD2-CE3 3.68Å; Y161-W176 AromaticContact CD2-CZ3 3.77Å; Y161-W176 HydrophobicContact CD2-CZ3 3.77Å; Y161-W176 HydrophobicContact CE2-CE3 4.01Å; Y161-W176 HydrophobicContact CE2-CH2 4.44Å; Y161-W176 AromaticContact CE2-CZ3 3.63Å; Y161-W176 HydrophobicContact CE2-CZ3 3.63Å; Y161-L177 CarbonylContact C-O 3.58Å; Y161-L177 WeakPolarHBondContact CA-O 3.42Å; Y161-L177 WeakPolarHBondContact CB-O 3.39Å; Y161-Y178 HydrophobicContact CG-CE1 4.43Å
162Y87.9Confident84.7Confident27 Ų2752.6 Ų52.611%0.10629%0.29CS..EExtended strand (participates in β ladder)trans-139.4139.4-175.2-59-81000111.3T160 W176 L177 L179 L233 T239T160-Y162 HydrophobicContact CG2-CD2 4.37Å; T160-Y162 HydrophobicContact CG2-CE2 3.46Å; T160-Y162 VanDerWaalsContact CG2-CE2 3.46Å; Y162-W176 WeakPolarHBondContact O-CA 3.17Å; Y162-L177 PolarHBondContact N-O 3.12Å; Y162-L177 PolarHBondContact O-N 3.33Å; Y162-L179 HydrophobicContact CD2-CD1 4.37Å; Y162-L179 HydrophobicContact CE2-CD1 3.93Å; Y162-L233 HydrophobicContact CG-CD2 4.36Å; Y162-T239 HydrophobicContact CD2-CG2 3.65Å; Y162-T239 WeakPolarHBondContact CE1-OG1 3.43Å; Y162-T239 HydrophobicContact CE2-CG2 3.71Å; Y162-T239 HydrophobicContact CG-CG2 4.12Å
163S84.3Confident84.7Confident47 Ų4752.3 Ų52.333%0.32929%0.29SS..EExtended strand (participates in β ladder)trans-74.3133.3165.6-1740000109.3
164C88.3Confident85Confident1 Ų158.1 Ų58.11%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-156.7177.2179.267.30000111.7G175 S231 L233C164-G175 PolarHBondContact N-O 3.04Å; C164-G175 VanDerWaalsContact N-O 3.1Å; C164-G175 PolarHBondContact O-N 3.47Å; C164-G175 VanDerWaalsContact O-O 3.1Å; C164-S231 WeakPolarHBondContact CA-O 3.42Å; C164-S231 WeakPolarHBondContact CB-O 3.27Å; C164-L233 HydrophobicContact CB-CD2 3.69Å; C164-L233 HydrophobicContact CB-CG 4.01Å
165S87.6Confident85.5Confident16 Ų1653.8 Ų53.811%0.11228%0.281CS..EExtended strand (participates in β ladder)trans-112.4121.1167-62.10000110.2C173 F230 S231S165-C173 WeakPolarHBondContact CA-O 3.44Å; S165-F230 WeakPolarHBondContact O-CA 3.24Å; S165-S231 PolarHBondContact N-O 2.78Å; S165-S231 PolarHBondContact O-N 3.15Å
166Y90Very high85.9Confident21 Ų2152.8 Ų52.88%0.08227%0.273CS..EExtended strand (participates in β ladder)trans-89.8134170.9171.1-111000110.1K168 C173 F186 V195 L197 H228 Y229 F230Y166-K168 HydrophobicContact CE1-CB 4.21Å; Y166-C173 PolarHBondContact N-O 3.35Å; Y166-C173 PolarHBondContact O-N 3.18Å; Y166-F186 VanDerWaalsContact CB-CE1 3.44Å; Y166-F186 HydrophobicContact CD1-CD1 4.25Å; Y166-F186 HydrophobicContact CD1-CE1 4.1Å; Y166-F186 HydrophobicContact CG-CD1 4.11Å; Y166-F186 HydrophobicContact CG-CE1 4.05Å; Y166-F186 HydrophobicContact CG-CZ 4.46Å; Y166-V195 HydrophobicContact CD1-CG1 4.02Å; Y166-V195 HydrophobicContact CE1-CG1 4.12Å; Y166-L197 HydrophobicContact CE2-CD2 4.04Å; Y166-H228 HydrophobicContact CE2-CB 3.9Å; Y166-H228 AromaticContact CE2-ND1 3.82Å; Y166-H228 AromaticContact CZ-ND1 3.86Å; Y166-H228 PolarHBondContact OH-ND1 3.03Å; Y166-Y229 WeakPolarHBondContact CA-O 3.5Å; Y166-F230 HydrophobicContact CD2-CD1 4.08Å; Y166-F230 AromaticContact CD2-CE1 3.58Å; Y166-F230 HydrophobicContact CD2-CE1 3.58Å; Y166-F230 AromaticContact CD2-CZ 3.84Å; Y166-F230 HydrophobicContact CD2-CZ 3.84Å; Y166-F230 HydrophobicContact CE2-CE1 4.44Å; Y166-F230 HydrophobicContact CE2-CZ 4.27Å; Y166-F230 HydrophobicContact CG-CE1 4.2Å
167W86.6Confident86.2Confident38 Ų3852.3 Ų52.314%0.14427%0.27CS..EExtended strand (participates in β ladder)trans-98.7112-178.5-67.476000111.8G169 P172 L215 Y229 S231W167-G169 PolarHBondContact O-N 3.26Å; W167-P172 HydrophobicContact CD2-CB 4.06Å; W167-P172 HydrophobicContact CE3-CB 4.17Å; W167-P172 HydrophobicContact CH2-CB 3.98Å; W167-P172 HydrophobicContact CH2-CG 3.99Å; W167-P172 HydrophobicContact CZ2-CB 3.84Å; W167-P172 HydrophobicContact CZ2-CG 4.32Å; W167-P172 HydrophobicContact CZ3-CB 4.14Å; W167-P172 HydrophobicContact CZ3-CG 4.09Å; W167-L215 HydrophobicContact CD2-CD2 3.47Å; W167-L215 VanDerWaalsContact CD2-CD2 3.47Å; W167-L215 HydrophobicContact CE3-CD2 3.87Å; W167-L215 HydrophobicContact CG-CD2 4.01Å; W167-L215 HydrophobicContact CH2-CD2 3.82Å; W167-L215 HydrophobicContact CZ2-CD2 3.42Å; W167-L215 VanDerWaalsContact CZ2-CD2 3.42Å; W167-L215 HydrophobicContact CZ3-CD2 4.03Å; W167-Y229 PolarHBondContact N-O 2.83Å; W167-S231 PolarHBondContact NE1-OG 3.06Å
168K82.1Confident86.6Confident138 Ų13848.1 Ų48.160%0.625%0.252SS*.EExtended strand (participates in β ladder)trans-92.288170.2-168.1170.7-177.2173.50108.6Y166 K170 V171Y166-K168 HydrophobicContact CE1-CB 4.21Å; K168-K170 PolarHBondContact O-N 2.69Å; K168-V171 PolarHBondContact N-O 3.06Å; K168-V171 PolarHBondContact O-N 3.14Å
169G78.4Confident86.9Confident67 Ų6747.5 Ų47.569%0.69125%0.249SC*.THydrogen-bonded Turntrans64.2-122.3-16700000110.4W167W167-G169 PolarHBondContact O-N 3.26Å
170K78.2Confident87Confident186 Ų18647.3 Ų47.381%0.80925%0.248SC*.THydrogen-bonded Turntrans-90.36.4179.6-62.7-172.6179.7-177.70114.6K168K168-K170 PolarHBondContact O-N 2.69Å
171V79.9Confident87Confident92 Ų9247.2 Ų47.256%0.55825%0.247SC*.EExtended strand (participates in β ladder)trans-108118-177-176.90000110.1K168K168-V171 PolarHBondContact N-O 3.06Å; K168-V171 PolarHBondContact O-N 3.14Å
172P82.4Confident86.9Confident62 Ų6245 Ų4540%0.40324%0.239SC..EExtended strand (participates in β ladder)trans-78.1126.417330.1-31.3000110.8W167W167-P172 HydrophobicContact CD2-CB 4.06Å; W167-P172 HydrophobicContact CE3-CB 4.17Å; W167-P172 HydrophobicContact CH2-CB 3.98Å; W167-P172 HydrophobicContact CH2-CG 3.99Å; W167-P172 HydrophobicContact CZ2-CB 3.84Å; W167-P172 HydrophobicContact CZ2-CG 4.32Å; W167-P172 HydrophobicContact CZ3-CB 4.14Å; W167-P172 HydrophobicContact CZ3-CG 4.09Å
173C83.1Confident87.1Confident17 Ų1743.8 Ų43.812%0.11523%0.234CC..EExtended strand (participates in β ladder)trans-104.4107.5171.7-63.40000108.2S165 Y166 F186S165-C173 WeakPolarHBondContact CA-O 3.44Å; Y166-C173 PolarHBondContact N-O 3.35Å; Y166-C173 PolarHBondContact O-N 3.18Å; C173-F186 WeakPolarHBondContact O-CZ 3.34Å
174Q82.5Confident87.7Confident134 Ų13441.5 Ų41.563%0.62622%0.218SC*.EExtended strand (participates in β ladder)trans-74.4127.2177.6-173.1179.25.700110.4S188Q174-S188 WeakPolarHBondContact O-CB 3.48Å; Q174-S188 PolarHBondContact O-OG 3.29Å
175G85.5Confident88Confident7 Ų741.5 Ų41.57%0.07222%0.218CC..EExtended strand (participates in β ladder)trans-165.7-153.2-175.400000113.7C164 Y187C164-G175 PolarHBondContact N-O 3.04Å; C164-G175 VanDerWaalsContact N-O 3.1Å; C164-G175 PolarHBondContact O-N 3.47Å; C164-G175 VanDerWaalsContact O-O 3.1Å; G175-Y187 VanDerWaalsContact CA-O 3.27Å; G175-Y187 WeakPolarHBondContact CA-O 3.21Å
176W90.5Very high88.4Confident85 Ų8540.7 Ų40.732%0.32221%0.213SC..EExtended strand (participates in β ladder)trans-127.1126.6-176-65.191000110.3Y161 Y162 Y178 F186 Y187Y161-W176 AromaticContact CD2-CE3 3.68Å; Y161-W176 HydrophobicContact CD2-CE3 3.68Å; Y161-W176 AromaticContact CD2-CZ3 3.77Å; Y161-W176 HydrophobicContact CD2-CZ3 3.77Å; Y161-W176 HydrophobicContact CE2-CE3 4.01Å; Y161-W176 HydrophobicContact CE2-CH2 4.44Å; Y161-W176 AromaticContact CE2-CZ3 3.63Å; Y161-W176 HydrophobicContact CE2-CZ3 3.63Å; Y162-W176 WeakPolarHBondContact O-CA 3.17Å; W176-Y178 HydrophobicContact CB-CD2 4.21Å; W176-Y178 HydrophobicContact CB-CE2 3.44Å; W176-Y178 VanDerWaalsContact CB-CE2 3.44Å; W176-Y178 WeakPolarHBondContact O-CD2 3.48Å; W176-F186 WeakPolarHBondContact O-CA 3.35Å; W176-F186 VanDerWaalsContact O-CD2 3.3Å; W176-F186 WeakPolarHBondContact O-CD2 3.39Å; W176-Y187 PolarHBondContact N-O 3.33Å; W176-Y187 PolarHBondContact O-N 2.88Å
177L94Very high88.5Confident0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-90.4129169.8176.766.3000108.1Y161 Y162 L179 L184 F186 F230 T239 M243Y161-L177 CarbonylContact C-O 3.58Å; Y161-L177 WeakPolarHBondContact CA-O 3.42Å; Y161-L177 WeakPolarHBondContact CB-O 3.39Å; Y162-L177 PolarHBondContact N-O 3.12Å; Y162-L177 PolarHBondContact O-N 3.33Å; L177-L179 HydrophobicContact CD1-CD2 3.93Å; L177-L179 HydrophobicContact CD2-CD2 4.09Å; L177-L179 HydrophobicContact CG-CD2 3.79Å; L177-L179 HydrophobicContact CG-CG 4.5Å; L177-L184 HydrophobicContact CD1-CD2 3.53Å; L177-L184 HydrophobicContact CD1-CG 3.89Å; L177-F186 HydrophobicContact CB-CD2 4.47Å; L177-F230 HydrophobicContact CD1-CD1 4.35Å; L177-F230 HydrophobicContact CD1-CE1 4.06Å; L177-F230 HydrophobicContact CD1-CZ 4.36Å; L177-T239 HydrophobicContact CD2-CG2 4.34Å; L177-M243 HydrophobicContact CD2-SD 4.35Å
178Y95.1Very high88.4Confident1 Ų139.3 Ų39.30%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-119.1123.9179.4-67.4-88.5000108.1A142 F146 W149 F150 L158 Y161 W176 C185A142-Y178 HydrophobicContact CB-CE1 4.09Å; A142-Y178 VanDerWaalsContact O-CE1 3.31Å; A142-Y178 WeakPolarHBondContact O-CE1 3.36Å; F146-Y178 HydrophobicContact CB-CD1 3.84Å; F146-Y178 HydrophobicContact CB-CE1 4.07Å; F146-Y178 HydrophobicContact CB-CG 4.41Å; F146-Y178 HydrophobicContact CD2-CD1 4.12Å; F146-Y178 AromaticContact CD2-CG 3.99Å; F146-Y178 HydrophobicContact CD2-CG 3.99Å; F146-Y178 HydrophobicContact CG-CD1 4.39Å; W149-Y178 HydrophobicContact CE3-CE2 4.09Å; W149-Y178 AromaticContact CZ3-CE2 3.94Å; W149-Y178 HydrophobicContact CZ3-CE2 3.94Å; W149-Y178 AromaticContact CZ3-CZ 3.95Å; W149-Y178 VanDerWaalsContact CZ3-OH 3.28Å; W149-Y178 WeakPolarHBondContact CZ3-OH 3.48Å; F150-Y178 AromaticContact CE2-CD2 3.62Å; F150-Y178 HydrophobicContact CE2-CD2 3.62Å; F150-Y178 HydrophobicContact CE2-CE2 4.13Å; F150-Y178 HydrophobicContact CE2-CG 4.1Å; F150-Y178 HydrophobicContact CZ-CD2 4.01Å; L158-Y178 HydrophobicContact CD1-CD1 3.79Å; L158-Y178 HydrophobicContact CD1-CG 4.35Å; L158-Y178 HydrophobicContact CD2-CD1 4.12Å; Y161-Y178 HydrophobicContact CG-CE1 4.43Å; W176-Y178 HydrophobicContact CB-CD2 4.21Å; W176-Y178 HydrophobicContact CB-CE2 3.44Å; W176-Y178 VanDerWaalsContact CB-CE2 3.44Å; W176-Y178 WeakPolarHBondContact O-CD2 3.48Å; Y178-C185 PolarHBondContact N-O 3.29Å; Y178-C185 PolarHBondContact O-N 3.5Å
179L95.7Very high88.2Confident0 Ų039.3 Ų39.30%021%0.205CC..EExtended strand (participates in β ladder)trans-108.8114.3178.3-52.8-171.3000108V159 T160 Y162 L177 L184 W201 I242 M243 L246V159-L179 WeakPolarHBondContact CA-O 3.48Å; V159-L179 WeakPolarHBondContact CB-O 3.48Å; V159-L179 PolarHBondContact N-O 2.89Å; T160-L179 HydrophobicContact CG2-CB 4.15Å; T160-L179 HydrophobicContact CG2-CD1 4.06Å; T160-L179 HydrophobicContact CG2-CG 4.34Å; T160-L179 PolarHBondContact N-O 3.38Å; T160-L179 VanDerWaalsContact N-O 3.15Å; T160-L179 PolarHBondContact O-N 3.41Å; Y162-L179 HydrophobicContact CD2-CD1 4.37Å; Y162-L179 HydrophobicContact CE2-CD1 3.93Å; L177-L179 HydrophobicContact CD1-CD2 3.93Å; L177-L179 HydrophobicContact CD2-CD2 4.09Å; L177-L179 HydrophobicContact CG-CD2 3.79Å; L177-L179 HydrophobicContact CG-CG 4.5Å; L179-L184 HydrophobicContact CD2-CG 4.19Å; L179-W201 HydrophobicContact CB-CZ2 4.27Å; L179-W201 HydrophobicContact CD2-CH2 3.86Å; L179-W201 HydrophobicContact CD2-CZ2 3.96Å; L179-I242 HydrophobicContact CD1-CB 4.45Å; L179-I242 HydrophobicContact CD1-CG2 3.92Å; L179-M243 HydrophobicContact CD1-CG 3.57Å; L179-M243 HydrophobicContact CD2-CG 4.18Å; L179-L246 HydrophobicContact CB-CD1 3.91Å; L179-L246 HydrophobicContact CD1-CD1 4.48Å
180S93.3Very high87.7Confident0 Ų040.6 Ų40.60%020%0.196CC..EExtended strand (participates in β ladder)trans-107.9171.4174.978.10000110.8E156 K157 N182 F183 W201E156-S180 WeakPolarHBondContact OE1-CB 3.32Å; E156-S180 PolarHBondContact OE1-OG 2.97Å; K157-S180 CarbonylContact O-C 3.49Å; K157-S180 WeakPolarHBondContact O-CA 3.42Å; K157-S180 WeakPolarHBondContact O-CB 3.38Å; S180-N182 PolarHBondContact O-N 3.44Å; S180-F183 PolarHBondContact N-O 3.49Å; S180-F183 PolarHBondContact OG-N 2.87Å; S180-F183 VanDerWaalsContact OG-N 3.15Å; S180-F183 PolarHBondContact OG-O 3.44Å; S180-W201 PolarHBondContact O-NE1 3.1Å
181T90.2Very high87Confident4 Ų440.1 Ų40.13%0.02520%0.201CC..SBendtrans-51.2-40.6-179.5-61.40000113.1E156 K157 Y249 P269 I272E156-T181 PolarHBondContact OE1-N 3.25Å; K157-T181 PolarHBondContact O-N 2.93Å; T181-Y249 HydrophobicContact CG2-CE1 4.29Å; T181-P269 HydrophobicContact CG2-CB 3.61Å; T181-P269 VanDerWaalsContact CG2-O 3.3Å; T181-P269 WeakPolarHBondContact CG2-O 3.47Å; T181-P269 PolarHBondContact OG1-O 2.92Å; T181-P269 VanDerWaalsContact OG1-O 3.08Å; T181-I272 HydrophobicContact CG2-CD1 4.42Å
182N89.6Confident86.2Confident3 Ų338.3 Ų38.32%0.01620%0.2CC..SBendtrans-116.2-10.9-174.2-53-75.4000114E156 S180 S200 W201 R253 Y818E156-N182 PolarHBondContact OE1-N 3.5Å; E156-N182 PolarHBondContact OE2-ND2 3.03Å; S180-N182 PolarHBondContact O-N 3.44Å; N182-S200 WeakPolarHBondContact O-CA 3.34Å; N182-W201 PolarHBondContact O-N 3.3Å; N182-W201 VanDerWaalsContact O-N 3.09Å; N182-R253 PolarHBondContact OD1-NH1 3.2Å; N182-Y818 HydrophobicContact CB-CD1 3.91Å; N182-Y818 HydrophobicContact CB-CD2 4.21Å; N182-Y818 HydrophobicContact CB-CE1 4.19Å; N182-Y818 HydrophobicContact CB-CG 3.94Å; N182-Y818 VanDerWaalsContact OD1-CD1 3.31Å; N182-Y818 WeakPolarHBondContact OD1-CD1 3.41Å
183F92.8Very high85.6Confident0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-135.8148.8-174.5-55.6-88.3000115.3L152 E156 S180 I198 I199 W201 L815 Y818 W819 L1130L152-F183 HydrophobicContact CD1-CD2 4.22Å; L152-F183 HydrophobicContact CD2-CD2 4.36Å; L152-F183 HydrophobicContact CD2-CE2 4.27Å; E156-F183 HydrophobicContact CG-CD2 4.23Å; S180-F183 PolarHBondContact N-O 3.49Å; S180-F183 PolarHBondContact OG-N 2.87Å; S180-F183 VanDerWaalsContact OG-N 3.15Å; S180-F183 PolarHBondContact OG-O 3.44Å; F183-I198 HydrophobicContact CB-CG2 4.43Å; F183-I198 HydrophobicContact CD1-CG2 3.76Å; F183-I198 HydrophobicContact CE1-CG2 4.41Å; F183-I198 HydrophobicContact CG-CG2 4.29Å; F183-I199 CarbonylContact C-O 3.5Å; F183-I199 WeakPolarHBondContact CA-O 3.35Å; F183-W201 PolarHBondContact O-NE1 3.25Å; F183-L815 HydrophobicContact CZ-CD2 4.38Å; F183-Y818 HydrophobicContact CE1-CE2 4.28Å; F183-Y818 HydrophobicContact CE2-CD2 4.25Å; F183-Y818 HydrophobicContact CE2-CE2 4.25Å; F183-Y818 AromaticContact CZ-CD2 3.98Å; F183-Y818 HydrophobicContact CZ-CD2 3.98Å; F183-Y818 AromaticContact CZ-CE2 3.6Å; F183-Y818 HydrophobicContact CZ-CE2 3.6Å; F183-W819 HydrophobicContact CE2-CH2 4.23Å; F183-W819 AromaticContact CE2-CZ2 3.89Å; F183-W819 HydrophobicContact CE2-CZ2 3.89Å; F183-W819 HydrophobicContact CZ-CH2 4.37Å; F183-W819 HydrophobicContact CZ-CZ2 4.48Å; F183-L1130 HydrophobicContact CE1-CD2 4.31Å
184L95.8Very high85.6Confident0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-97119.4159.9-174.5170.9000108L177 L179 I199 W201 V221 F230 M243L177-L184 HydrophobicContact CD1-CD2 3.53Å; L177-L184 HydrophobicContact CD1-CG 3.89Å; L179-L184 HydrophobicContact CD2-CG 4.19Å; L184-I199 HydrophobicContact CB-CB 4.47Å; L184-I199 PolarHBondContact N-O 3.2Å; L184-I199 PolarHBondContact O-N 3Å; L184-W201 HydrophobicContact CB-CH2 3.84Å; L184-W201 HydrophobicContact CB-CZ2 4.01Å; L184-W201 HydrophobicContact CB-CZ3 4.18Å; L184-W201 HydrophobicContact CD1-CH2 4.1Å; L184-W201 HydrophobicContact CD1-CZ3 4.13Å; L184-W201 HydrophobicContact CG-CH2 4.17Å; L184-V221 HydrophobicContact CD1-CG1 4.34Å; L184-V221 HydrophobicContact CD1-CG2 4.11Å; L184-F230 HydrophobicContact CD1-CE2 4.49Å; L184-F230 HydrophobicContact CD2-CE2 4.35Å; L184-F230 HydrophobicContact CD2-CZ 3.89Å; L184-M243 HydrophobicContact CD1-CE 3.58Å
185C95.4Very high85.8Confident0 Ų038 Ų380%020%0.202CC..EExtended strand (participates in β ladder)trans-123.3138.9-177.4-70.90000110.9F146 F150 Y178 L197F146-C185 HydrophobicContact CE2-CB 4.16Å; F150-C185 HydrophobicContact CD1-CB 3.88Å; F150-C185 HydrophobicContact CD2-CB 3.98Å; F150-C185 HydrophobicContact CE1-CB 3.66Å; F150-C185 HydrophobicContact CE2-CB 3.79Å; F150-C185 HydrophobicContact CG-CB 4.05Å; F150-C185 HydrophobicContact CZ-CB 3.62Å; Y178-C185 PolarHBondContact N-O 3.29Å; Y178-C185 PolarHBondContact O-N 3.5Å; C185-L197 CarbonylContact C-O 3.59Å; C185-L197 WeakPolarHBondContact CA-O 3.5Å
186F94.7Very high85.9Confident0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-133.8139.7174.4172.6-87.6000111.9Y166 C173 W176 L177 V195 K196 L197 F230Y166-F186 VanDerWaalsContact CB-CE1 3.44Å; Y166-F186 HydrophobicContact CD1-CD1 4.25Å; Y166-F186 HydrophobicContact CD1-CE1 4.1Å; Y166-F186 HydrophobicContact CG-CD1 4.11Å; Y166-F186 HydrophobicContact CG-CE1 4.05Å; Y166-F186 HydrophobicContact CG-CZ 4.46Å; C173-F186 WeakPolarHBondContact O-CZ 3.34Å; W176-F186 WeakPolarHBondContact O-CA 3.35Å; W176-F186 VanDerWaalsContact O-CD2 3.3Å; W176-F186 WeakPolarHBondContact O-CD2 3.39Å; L177-F186 HydrophobicContact CB-CD2 4.47Å; F186-V195 HydrophobicContact CD1-CG1 4.43Å; F186-V195 HydrophobicContact CE1-CG1 4.28Å; F186-K196 WeakPolarHBondContact O-CA 3.33Å; F186-L197 HydrophobicContact CB-CB 4.18Å; F186-L197 HydrophobicContact CB-CD2 4.5Å; F186-L197 PolarHBondContact N-O 3.28Å; F186-L197 PolarHBondContact O-N 2.99Å; F186-F230 HydrophobicContact CB-CE1 4Å; F186-F230 HydrophobicContact CD2-CD1 4.37Å; F186-F230 HydrophobicContact CD2-CE1 4.03Å; F186-F230 HydrophobicContact CG-CE1 4.07Å
187Y91.9Very high85.9Confident26 Ų2639 Ų3910%0.10221%0.207CC..EExtended strand (participates in β ladder)trans-132.7132.2177.4-174.2-91.6000112.4W149 G175 W176 E194 V195W149-Y187 HydrophobicContact CB-CD2 3.94Å; W149-Y187 HydrophobicContact CB-CE2 4.26Å; W149-Y187 HydrophobicContact CB-CG 4.46Å; W149-Y187 AromaticContact CD1-CE2 3.72Å; W149-Y187 AromaticContact CD1-CZ 3.87Å; W149-Y187 AromaticContact CD2-CD1 3.65Å; W149-Y187 HydrophobicContact CD2-CD1 3.65Å; W149-Y187 AromaticContact CD2-CD2 3.8Å; W149-Y187 HydrophobicContact CD2-CD2 3.8Å; W149-Y187 AromaticContact CD2-CE1 3.86Å; W149-Y187 HydrophobicContact CD2-CE1 3.86Å; W149-Y187 AromaticContact CD2-CE2 3.98Å; W149-Y187 HydrophobicContact CD2-CE2 3.98Å; W149-Y187 AromaticContact CD2-CG 3.62Å; W149-Y187 HydrophobicContact CD2-CG 3.62Å; W149-Y187 AromaticContact CE2-CD1 3.72Å; W149-Y187 AromaticContact CE2-CE1 3.48Å; W149-Y187 VanDerWaalsContact CE2-CE1 3.48Å; W149-Y187 AromaticContact CE2-CZ 3.71Å; W149-Y187 AromaticContact CE3-CD1 3.51Å; W149-Y187 HydrophobicContact CE3-CD1 3.51Å; W149-Y187 HydrophobicContact CE3-CD2 4.07Å; W149-Y187 HydrophobicContact CE3-CE1 4.17Å; W149-Y187 AromaticContact CE3-CG 3.45Å; W149-Y187 HydrophobicContact CE3-CG 3.45Å; W149-Y187 VanDerWaalsContact CE3-CG 3.45Å; W149-Y187 HydrophobicContact CG-CD1 4.43Å; W149-Y187 AromaticContact CG-CD2 3.73Å; W149-Y187 HydrophobicContact CG-CD2 3.73Å; W149-Y187 HydrophobicContact CG-CE1 4.47Å; W149-Y187 AromaticContact CG-CE2 3.77Å; W149-Y187 HydrophobicContact CG-CE2 3.77Å; W149-Y187 HydrophobicContact CG-CG 4.07Å; W149-Y187 AromaticContact CH2-CD1 3.59Å; W149-Y187 HydrophobicContact CH2-CD1 3.59Å; W149-Y187 AromaticContact CH2-CE1 3.86Å; W149-Y187 HydrophobicContact CH2-CE1 3.86Å; W149-Y187 HydrophobicContact CH2-CG 4.4Å; W149-Y187 AromaticContact CZ2-CD1 3.74Å; W149-Y187 HydrophobicContact CZ2-CD1 3.74Å; W149-Y187 AromaticContact CZ2-CE1 3.52Å; W149-Y187 HydrophobicContact CZ2-CE1 3.52Å; W149-Y187 AromaticContact CZ3-CD1 3.45Å; W149-Y187 HydrophobicContact CZ3-CD1 3.45Å; W149-Y187 VanDerWaalsContact CZ3-CD1 3.45Å; W149-Y187 HydrophobicContact CZ3-CE1 4.14Å; W149-Y187 AromaticContact CZ3-CG 3.85Å; W149-Y187 HydrophobicContact CZ3-CG 3.85Å; W149-Y187 AromaticContact NE1-CE1 3.85Å; W149-Y187 AromaticContact NE1-CE2 3.94Å; W149-Y187 AromaticContact NE1-CZ 3.58Å; G175-Y187 VanDerWaalsContact CA-O 3.27Å; G175-Y187 WeakPolarHBondContact CA-O 3.21Å; W176-Y187 PolarHBondContact N-O 3.33Å; W176-Y187 PolarHBondContact O-N 2.88Å; Y187-E194 HydrophobicContact CE2-CG 4.06Å; Y187-E194 WeakPolarHBondContact CE2-OE1 3.4Å; Y187-E194 PolarHBondContact OH-OE1 3.27Å; Y187-V195 WeakPolarHBondContact CA-O 3.19Å
188S85.3Confident85.8Confident3 Ų340.6 Ų40.62%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-140.8139.4170.7158.70000110Q174 V195Q174-S188 WeakPolarHBondContact O-CB 3.48Å; Q174-S188 PolarHBondContact O-OG 3.29Å; S188-V195 PolarHBondContact N-O 2.91Å; S188-V195 PolarHBondContact O-N 3.12Å
189Y77.4Confident85.7Confident139 Ų13940.7 Ų40.755%0.54522%0.216SC..EExtended strand (participates in β ladder)trans-134.7111.4168.3-174.7-91.8000109.6S193 E194Y189-S193 WeakPolarHBondContact CA-O 3.27Å; Y189-E194 HydrophobicContact CD2-CB 3.89Å; Y189-E194 HydrophobicContact CD2-CG 4.33Å; Y189-E194 HydrophobicContact CE2-CB 4.39Å
190L68.1Low85.5Confident94 Ų9440.7 Ų40.749%0.49222%0.216SC..EExtended strand (participates in β ladder)trans-141.3130-175.8-171.464.9000110.3G192 S193L190-G192 PolarHBondContact O-N 3.09Å; L190-G192 VanDerWaalsContact O-N 3.13Å; L190-S193 PolarHBondContact N-O 3.26Å; L190-S193 WeakPolarHBondContact O-CB 3.48Å; L190-S193 PolarHBondContact O-N 3.2Å
191L63.8Low85.4Confident176 Ų17640.7 Ų40.792%0.92122%0.216SC*.THydrogen-bonded Turntrans51.335177.8-61.8172000114.6S193L191-S193 VanDerWaalsContact C-N 3.29Å; L191-S193 PolarHBondContact O-N 2.95Å
192G62.4Low85.2Confident53 Ų5341 Ų4155%0.54622%0.217SC..THydrogen-bonded Turntrans84.2-4.6-178.500000115L190L190-G192 PolarHBondContact O-N 3.09Å; L190-G192 VanDerWaalsContact O-N 3.13Å
193S71.3Confident85.1Confident76 Ų7641.9 Ų41.953%0.53122%0.222SC..EExtended strand (participates in β ladder)trans-94.2120.5174.1-1690000110.7Y189 L190 L191Y189-S193 WeakPolarHBondContact CA-O 3.27Å; L190-S193 PolarHBondContact N-O 3.26Å; L190-S193 WeakPolarHBondContact O-CB 3.48Å; L190-S193 PolarHBondContact O-N 3.2Å; L191-S193 VanDerWaalsContact C-N 3.29Å; L191-S193 PolarHBondContact O-N 2.95Å
194E83.4Confident85.1Confident117 Ų11741.9 Ų41.955%0.54722%0.222SC..EExtended strand (participates in β ladder)trans-93.5138172-170.1171.8-148.300110.6Y187 Y189Y187-E194 HydrophobicContact CE2-CG 4.06Å; Y187-E194 WeakPolarHBondContact CE2-OE1 3.4Å; Y187-E194 PolarHBondContact OH-OE1 3.27Å; Y189-E194 HydrophobicContact CD2-CB 3.89Å; Y189-E194 HydrophobicContact CD2-CG 4.33Å; Y189-E194 HydrophobicContact CE2-CB 4.39Å
195V84.8Confident84.9Confident15 Ų1545.1 Ų45.19%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-130.4114.5171-179.30000108Y166 F186 Y187 S188Y166-V195 HydrophobicContact CD1-CG1 4.02Å; Y166-V195 HydrophobicContact CE1-CG1 4.12Å; F186-V195 HydrophobicContact CD1-CG1 4.43Å; F186-V195 HydrophobicContact CE1-CG1 4.28Å; Y187-V195 WeakPolarHBondContact CA-O 3.19Å; S188-V195 PolarHBondContact N-O 2.91Å; S188-V195 PolarHBondContact O-N 3.12Å
196K89.1Confident84.7Confident85 Ų8550 Ų5037%0.3725%0.252SS..EExtended strand (participates in β ladder)trans-121.4129.5175.8176.7178.8169.1173.90108.5W149 F150 F186W149-K196 WeakPolarHBondContact O-CD 3.37Å; W149-K196 WeakPolarHBondContact O-CE 3.36Å; W149-K196 PolarHBondContact O-NZ 3.19Å; F150-K196 HydrophobicContact CD1-CD 4.44Å; F150-K196 HydrophobicContact CD1-CG 4.12Å; F150-K196 HydrophobicContact CE1-CG 3.98Å; F150-K196 PolarHBondContact O-NZ 2.88Å; F186-K196 WeakPolarHBondContact O-CA 3.33Å
197L90.9Very high84.6Confident26 Ų2650.1 Ų50.114%0.13625%0.253CS..EExtended strand (participates in β ladder)trans-131138.4178.9-178.765.9000109.1F150 Y166 C185 F186 I199 F230F150-L197 WeakPolarHBondContact CE1-O 3.46Å; Y166-L197 HydrophobicContact CE2-CD2 4.04Å; C185-L197 CarbonylContact C-O 3.59Å; C185-L197 WeakPolarHBondContact CA-O 3.5Å; F186-L197 HydrophobicContact CB-CB 4.18Å; F186-L197 HydrophobicContact CB-CD2 4.5Å; F186-L197 PolarHBondContact N-O 3.28Å; F186-L197 PolarHBondContact O-N 2.99Å; L197-I199 HydrophobicContact CD1-CD1 4.06Å; L197-I199 HydrophobicContact CD1-CG1 4.02Å; L197-I199 HydrophobicContact CD2-CD1 3.93Å; L197-I199 HydrophobicContact CG-CD1 4.05Å; L197-I199 HydrophobicContact CG-CG1 4.14Å; L197-F230 HydrophobicContact CD2-CZ 3.96Å
198I91.8Very high84.6Confident34 Ų3450.6 Ų50.617%0.17426%0.256CS..EExtended strand (participates in β ladder)trans-139.8121.6173.1-56.7176.4000106.5F150 F183 L1130F150-I198 HydrophobicContact CB-CD1 4.21Å; F150-I198 HydrophobicContact CD1-CD1 3.93Å; F150-I198 HydrophobicContact CD1-CG1 3.65Å; F150-I198 HydrophobicContact CE1-CG1 4.31Å; F183-I198 HydrophobicContact CB-CG2 4.43Å; F183-I198 HydrophobicContact CD1-CG2 3.76Å; F183-I198 HydrophobicContact CE1-CG2 4.41Å; F183-I198 HydrophobicContact CG-CG2 4.29Å; I198-L1130 HydrophobicContact CG2-CD1 4.3Å
199I92.1Very high84.9Confident4 Ų454.9 Ų54.92%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-129.2131.1177.3-62167.9000106.6F183 L184 L197 E203 I204 A223 H228F183-I199 CarbonylContact C-O 3.5Å; F183-I199 WeakPolarHBondContact CA-O 3.35Å; L184-I199 HydrophobicContact CB-CB 4.47Å; L184-I199 PolarHBondContact N-O 3.2Å; L184-I199 PolarHBondContact O-N 3Å; L197-I199 HydrophobicContact CD1-CD1 4.06Å; L197-I199 HydrophobicContact CD1-CG1 4.02Å; L197-I199 HydrophobicContact CD2-CD1 3.93Å; L197-I199 HydrophobicContact CG-CD1 4.05Å; L197-I199 HydrophobicContact CG-CG1 4.14Å; I199-E203 HydrophobicContact CG2-CB 4.36Å; I199-I204 HydrophobicContact CG2-CD1 4.47Å; I199-I204 HydrophobicContact CG2-CG1 3.91Å; I199-A223 HydrophobicContact CD1-CB 4.2Å; I199-A223 HydrophobicContact CG1-CB 4.49Å; I199-A223 HydrophobicContact CG2-CB 3.67Å; I199-H228 VanDerWaalsContact CD1-CD2 3.43Å; I199-H228 WeakPolarHBondContact CD1-CD2 3.37Å
200S90.7Very high85.3Confident0 Ų049.7 Ų49.70%026%0.257CS..EExtended strand (participates in β ladder)trans-78.7150.417178.70000110.8N182 D202 E203 Y818N182-S200 WeakPolarHBondContact O-CA 3.34Å; S200-D202 VanDerWaalsContact CB-OD1 3.29Å; S200-D202 WeakPolarHBondContact CB-OD1 3.48Å; S200-D202 PolarHBondContact O-N 3.16Å; S200-D202 PolarHBondContact OG-OD1 3.28Å; S200-D202 PolarHBondContact OG-OD2 3.21Å; S200-E203 PolarHBondContact N-OE2 3.3Å; S200-E203 WeakPolarHBondContact O-CB 3.47Å; S200-E203 PolarHBondContact O-N 2.65Å; S200-E203 WeakPolarHBondContact OG-CG 3.49Å; S200-E203 PolarHBondContact OG-N 2.99Å; S200-E203 PolarHBondContact OG-OE2 3.29Å; S200-Y818 WeakPolarHBondContact CB-OH 3.39Å
201W92.2Very high86Confident0 Ų049.2 Ų49.20%026%0.262CS..G310 helixtrans-61.6-27.4-179.7-69.7124.2000113.3L179 S180 N182 F183 L184 I204 M243 L246 A247 S250L179-W201 HydrophobicContact CB-CZ2 4.27Å; L179-W201 HydrophobicContact CD2-CH2 3.86Å; L179-W201 HydrophobicContact CD2-CZ2 3.96Å; S180-W201 PolarHBondContact O-NE1 3.1Å; N182-W201 PolarHBondContact O-N 3.3Å; N182-W201 VanDerWaalsContact O-N 3.09Å; F183-W201 PolarHBondContact O-NE1 3.25Å; L184-W201 HydrophobicContact CB-CH2 3.84Å; L184-W201 HydrophobicContact CB-CZ2 4.01Å; L184-W201 HydrophobicContact CB-CZ3 4.18Å; L184-W201 HydrophobicContact CD1-CH2 4.1Å; L184-W201 HydrophobicContact CD1-CZ3 4.13Å; L184-W201 HydrophobicContact CG-CH2 4.17Å; W201-I204 HydrophobicContact CE3-CD1 3.5Å; W201-I204 VanDerWaalsContact CE3-CD1 3.5Å; W201-I204 HydrophobicContact CZ3-CD1 3.79Å; W201-M243 HydrophobicContact CH2-CB 4.05Å; W201-M243 HydrophobicContact CH2-CG 4Å; W201-M243 HydrophobicContact CZ3-CB 4.13Å; W201-M243 HydrophobicContact CZ3-CG 4.49Å; W201-L246 HydrophobicContact CD2-CB 3.91Å; W201-L246 HydrophobicContact CE3-CB 4.39Å; W201-L246 HydrophobicContact CG-CB 4.32Å; W201-L246 HydrophobicContact CH2-CB 4.38Å; W201-L246 HydrophobicContact CH2-CD1 4.43Å; W201-L246 HydrophobicContact CZ2-CB 3.85Å; W201-L246 HydrophobicContact CZ2-CD1 3.62Å; W201-L246 HydrophobicContact CZ2-CG 4.38Å; W201-A247 HydrophobicContact CE3-CB 4.03Å; W201-S250 WeakPolarHBondContact CB-OG 3.38Å
202D86.2Confident86.2Confident9 Ų945.2 Ų45.25%0.04824%0.241CC..G310 helixtrans-81.8-7.6175.464.7-81.6000114.6S200 L254 F255 Q777 F814 Y818S200-D202 VanDerWaalsContact CB-OD1 3.29Å; S200-D202 WeakPolarHBondContact CB-OD1 3.48Å; S200-D202 PolarHBondContact O-N 3.16Å; S200-D202 PolarHBondContact OG-OD1 3.28Å; S200-D202 PolarHBondContact OG-OD2 3.21Å; D202-L254 HydrophobicContact CB-CD1 4.09Å; D202-F255 HydrophobicContact CB-CE2 3.94Å; D202-F255 HydrophobicContact CB-CZ 4.26Å; D202-Q777 PolarHBondContact O-NE2 3.38Å; D202-F814 HydrophobicContact CB-CD2 4.49Å; D202-F814 HydrophobicContact CB-CE2 4.2Å; D202-F814 WeakPolarHBondContact OD2-CD2 2.83Å; D202-F814 WeakPolarHBondContact OD2-CE2 3.45Å; D202-Y818 PolarHBondContact OD1-OH 2.96Å
203E87.7Confident86.1Confident23 Ų2350.3 Ų50.311%0.10726%0.261CS..G310 helixtrans-88.8-4.9173.7-72.5159.7174.600112.2I199 S200 H224 R811I199-E203 HydrophobicContact CG2-CB 4.36Å; S200-E203 PolarHBondContact N-OE2 3.3Å; S200-E203 WeakPolarHBondContact O-CB 3.47Å; S200-E203 PolarHBondContact O-N 2.65Å; S200-E203 WeakPolarHBondContact OG-CG 3.49Å; S200-E203 PolarHBondContact OG-N 2.99Å; S200-E203 PolarHBondContact OG-OE2 3.29Å; E203-H224 IonicContact OE1-CE1 2.71Å; E203-H224 IonicContact OE1-NE2 3.19Å; E203-H224 IonicContact OE2-CE1 2.94Å; E203-H224 PolarHBondContact OE2-CE1 3.22Å; E203-H224 VanDerWaalsContact OE2-CE1 3.28Å; E203-R811 IonicContact OE1-CZ 3.6Å; E203-R811 VanDerWaalsContact OE1-CZ 3.26Å; E203-R811 IonicContact OE1-NE 3.77Å; E203-R811 PolarHBondContact OE1-NE 3.2Å; E203-R811 VanDerWaalsContact OE1-NE 3.16Å; E203-R811 IonicContact OE1-NH2 2.7Å; E203-R811 PolarHBondContact OE1-NH2 3.12Å; E203-R811 IonicContact OE2-NH2 3.6Å; E203-R811 PolarHBondContact OE2-NH2 3.39Å
204I92.4Very high85.6Confident0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-85.1128-176.2-59.2179.7000111.5I199 W201 R206 L207 V221 L773 Q777I199-I204 HydrophobicContact CG2-CD1 4.47Å; I199-I204 HydrophobicContact CG2-CG1 3.91Å; W201-I204 HydrophobicContact CE3-CD1 3.5Å; W201-I204 VanDerWaalsContact CE3-CD1 3.5Å; W201-I204 HydrophobicContact CZ3-CD1 3.79Å; I204-R206 WeakPolarHBondContact CG2-O 3.4Å; I204-L207 HydrophobicContact CG2-CB 4.35Å; I204-V221 HydrophobicContact CD1-CG1 3.83Å; I204-V221 HydrophobicContact CG1-CG1 3.99Å; I204-V221 HydrophobicContact CG2-CG1 4.04Å; I204-L773 HydrophobicContact CG2-CD2 4.49Å; I204-Q777 WeakPolarHBondContact O-CG 3.49Å; I204-Q777 PolarHBondContact O-NE2 2.92Å
205W91.3Very high84.5Confident67 Ų6748.3 Ų48.325%0.25425%0.247SC..EExtended strand (participates in β ladder)trans-97.2-35.2176.9-78.768000113.4L222 H774 Q777 D781W205-L222 HydrophobicContact CB-CD2 4.1Å; W205-L222 HydrophobicContact CB-CG 4.2Å; W205-L222 PolarHBondContact N-O 3.45Å; W205-H774 AromaticContact CE3-ND1 3.92Å; W205-H774 WeakPolarHBondContact O-CA 3.43Å; W205-H774 PolarHBondContact O-N 3.2Å; W205-Q777 HydrophobicContact CB-CG 4.47Å; W205-Q777 HydrophobicContact CD2-CB 3.48Å; W205-Q777 VanDerWaalsContact CD2-CB 3.48Å; W205-Q777 HydrophobicContact CD2-CG 3.88Å; W205-Q777 HydrophobicContact CE3-CB 3.57Å; W205-Q777 HydrophobicContact CE3-CG 4.37Å; W205-Q777 HydrophobicContact CG-CB 4.07Å; W205-Q777 HydrophobicContact CG-CG 3.91Å; W205-Q777 HydrophobicContact CH2-CB 3.83Å; W205-Q777 HydrophobicContact CZ2-CB 3.75Å; W205-Q777 HydrophobicContact CZ3-CB 3.74Å; W205-D781 HydrophobicContact CH2-CB 4Å; W205-D781 HydrophobicContact CZ2-CB 4.34Å
206R91.2Very high83.7Confident102 Ų10251.4 Ų51.439%0.38527%0.266SS..EExtended strand (participates in β ladder)trans-144.1137.3178.7-163.6177.3-67-178.9-4110.2I204 E208 V221 L222I204-R206 WeakPolarHBondContact CG2-O 3.4Å; R206-E208 WeakPolarHBondContact CD-OE1 3.42Å; R206-E208 WeakPolarHBondContact CD-OE2 3.39Å; R206-E208 HydrophobicContact CG-CG 4.22Å; R206-E208 IonicContact NH1-OE1 2.7Å; R206-V221 WeakPolarHBondContact O-CA 3.48Å; R206-L222 HydrophobicContact CB-CB 3.83Å; R206-L222 HydrophobicContact CB-CD2 4.33Å; R206-L222 PolarHBondContact N-O 2.76Å; R206-L222 PolarHBondContact O-N 3.08Å
207L93.4Very high83.5Confident3 Ų353.6 Ų53.62%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-135.1111.4173.6174.864000107.5I204 I219 H220 V221 F240 M243 E244 A247 L773I204-L207 HydrophobicContact CG2-CB 4.35Å; L207-I219 HydrophobicContact CD1-CG2 3.64Å; L207-H220 WeakPolarHBondContact CA-O 3.31Å; L207-V221 HydrophobicContact CD1-CG2 3.85Å; L207-F240 HydrophobicContact CD1-CD2 4.44Å; L207-F240 HydrophobicContact CD1-CE2 4.1Å; L207-F240 HydrophobicContact CG-CD2 4.48Å; L207-F240 HydrophobicContact CG-CE2 3.79Å; L207-F240 HydrophobicContact CG-CZ 4.22Å; L207-M243 HydrophobicContact CD1-CB 4.3Å; L207-M243 HydrophobicContact CD1-CE 3.84Å; L207-M243 HydrophobicContact CD2-CB 3.89Å; L207-E244 HydrophobicContact CD2-CB 4.27Å; L207-A247 HydrophobicContact CD2-CB 4.32Å; L207-L773 HydrophobicContact CB-CD1 3.67Å
208E91.4Very high83.5Confident37 Ų3752.4 Ų52.417%0.17327%0.271CS..EExtended strand (participates in β ladder)trans-147.3156.9-173.462.3-175.2168.900112.6R206 T210 H220R206-E208 WeakPolarHBondContact CD-OE1 3.42Å; R206-E208 WeakPolarHBondContact CD-OE2 3.39Å; R206-E208 HydrophobicContact CG-CG 4.22Å; R206-E208 IonicContact NH1-OE1 2.7Å; E208-T210 HydrophobicContact CG-CG2 3.95Å; E208-H220 HydrophobicContact CG-CB 3.86Å; E208-H220 PolarHBondContact N-O 2.74Å; E208-H220 PolarHBondContact O-N 2.89Å; E208-H220 IonicContact OE1-CE1 2.78Å; E208-H220 IonicContact OE1-CG 3.4Å; E208-H220 IonicContact OE1-ND1 3.2Å; E208-H220 PolarHBondContact OE1-ND1 3.15Å
209K91.2Very high83.7Confident93 Ų9350.8 Ų50.840%0.40426%0.263SS..EExtended strand (participates in β ladder)trans-87.9129.9170.1-60.3179.8-173.1172.40108.5L236 S237 F240K209-L236 HydrophobicContact CD-CD2 3.83Å; K209-L236 HydrophobicContact CG-CD2 4.02Å; K209-S237 PolarHBondContact NZ-OG 3.1Å; K209-F240 HydrophobicContact CD-CD1 4.44Å; K209-F240 HydrophobicContact CD-CD2 4.49Å; K209-F240 HydrophobicContact CD-CG 4.21Å; K209-F240 VanDerWaalsContact CE-CB 3.44Å; K209-F240 HydrophobicContact CG-CB 4.38Å; K209-F240 HydrophobicContact CG-CD1 4.3Å; K209-F240 HydrophobicContact CG-CD2 3.61Å; K209-F240 HydrophobicContact CG-CE2 3.92Å; K209-F240 HydrophobicContact CG-CG 3.82Å; K209-F240 HydrophobicContact CG-CZ 4.38Å
210T87.1Confident83.7Confident29 Ų2951 Ų5118%0.17826%0.264CS..EExtended strand (participates in β ladder)trans-129.6153179.655.10000111.3E208 S218 H220E208-T210 HydrophobicContact CG-CG2 3.95Å; T210-S218 PolarHBondContact N-O 3.02Å; T210-S218 PolarHBondContact O-N 2.66Å; T210-S218 PolarHBondContact O-OG 2.78Å; T210-S218 PolarHBondContact OG1-OG 3.35Å; T210-H220 HydrophobicContact CG2-CB 3.81Å
211S81.3Confident83.9Confident85 Ų8551 Ų5159%0.59426%0.264SS*.EExtended strand (participates in β ladder)trans-142.2123.9174.7-175.10000107.8
212N68.9Low84Confident92 Ų9252.7 Ų52.749%0.49227%0.273SS..EExtended strand (participates in β ladder)trans-132.2157.6-174.9-80-32.3000109.3I214 L215N212-I214 PolarHBondContact O-N 2.84Å; N212-L215 HydrophobicContact CB-CB 4.32Å; N212-L215 PolarHBondContact N-O 3.38Å; N212-L215 CarbonylContact O-C 3.58Å; N212-L215 VanDerWaalsContact O-C 3.27Å; N212-L215 PolarHBondContact O-N 3Å
213V60.4Low84.2Confident160 Ų16052.2 Ų52.297%0.9727%0.27SS*.THydrogen-bonded Turntrans-56-25-176.4-175.60000113.8
214I59.4Low83.9Confident132 Ų13256.5 Ų56.568%0.67729%0.29SS*.THydrogen-bonded Turntrans-95-23.8178.1-58.7172000112.3N212N212-I214 PolarHBondContact O-N 2.84Å
215L60.9Low83.5Confident19 Ų1959.4 Ų59.410%0.09932%0.32CS..EExtended strand (participates in β ladder)trans-120.2113.2-174-60.3176.9000109.7W167 N212 Y229W167-L215 HydrophobicContact CD2-CD2 3.47Å; W167-L215 VanDerWaalsContact CD2-CD2 3.47Å; W167-L215 HydrophobicContact CE3-CD2 3.87Å; W167-L215 HydrophobicContact CG-CD2 4.01Å; W167-L215 HydrophobicContact CH2-CD2 3.82Å; W167-L215 HydrophobicContact CZ2-CD2 3.42Å; W167-L215 VanDerWaalsContact CZ2-CD2 3.42Å; W167-L215 HydrophobicContact CZ3-CD2 4.03Å; N212-L215 HydrophobicContact CB-CB 4.32Å; N212-L215 PolarHBondContact N-O 3.38Å; N212-L215 CarbonylContact O-C 3.58Å; N212-L215 VanDerWaalsContact O-C 3.27Å; N212-L215 PolarHBondContact O-N 3Å; L215-Y229 HydrophobicContact CD1-CD1 4.13Å; L215-Y229 HydrophobicContact CD1-CG 4.23Å
216T68.9Low83.4Confident79 Ų7961.8 Ų61.849%0.48533%0.334SS..EExtended strand (participates in β ladder)trans-49.6160.9157.657.90000110.2S218 M232T216-S218 PolarHBondContact O-N 3.24Å; T216-M232 HydrophobicContact CG2-CE 4.03Å; T216-M232 WeakPolarHBondContact OG1-CE 3.31Å
217E84.9Confident83.4Confident132 Ų13261.2 Ų61.262%0.61734%0.338SS*.EExtended strand (participates in β ladder)trans-32.9122.1177.8-58.9-172.216100112.9L236E217-L236 HydrophobicContact CB-CD1 3.79Å; E217-L236 WeakPolarHBondContact O-CD1 3.4Å
218S91.1Very high83.4Confident1 Ų161.2 Ų61.21%0.00734%0.339CS..EExtended strand (participates in β ladder)trans-139.5154.3-173.266.70000111.1T210 T216 F230T210-S218 PolarHBondContact N-O 3.02Å; T210-S218 PolarHBondContact O-N 2.66Å; T210-S218 PolarHBondContact O-OG 2.78Å; T210-S218 PolarHBondContact OG1-OG 3.35Å; T216-S218 PolarHBondContact O-N 3.24Å; S218-F230 CarbonylContact C-O 3.6Å; S218-F230 WeakPolarHBondContact CA-O 3.32Å; S218-F230 VanDerWaalsContact CB-O 3.3Å; S218-F230 WeakPolarHBondContact CB-O 3.46Å
219I94.2Very high83.5Confident0 Ų062.3 Ų62.30%034%0.341CS..EExtended strand (participates in β ladder)trans-94.7123.1170-57.5178.9000107.2L207 V221 F230 L233 L236 T239 F240 M243L207-I219 HydrophobicContact CD1-CG2 3.64Å; I219-V221 HydrophobicContact CG2-CG2 4.19Å; I219-F230 PolarHBondContact N-O 2.78Å; I219-F230 PolarHBondContact O-N 3.46Å; I219-L233 HydrophobicContact CD1-CD1 3.59Å; I219-L233 HydrophobicContact CG1-CD1 3.96Å; I219-L236 HydrophobicContact CD1-CG 4.37Å; I219-L236 HydrophobicContact CG1-CD1 4.3Å; I219-L236 HydrophobicContact CG1-CD2 4.41Å; I219-L236 HydrophobicContact CG1-CG 4.02Å; I219-T239 HydrophobicContact CD1-CG2 3.88Å; I219-F240 HydrophobicContact CD1-CB 3.92Å; I219-F240 HydrophobicContact CD1-CD2 4.28Å; I219-F240 HydrophobicContact CG1-CB 4.48Å; I219-F240 HydrophobicContact CG1-CD2 4.21Å; I219-F240 HydrophobicContact CG2-CD2 4.03Å; I219-F240 HydrophobicContact CG2-CE2 4.48Å; I219-M243 HydrophobicContact CD1-SD 3.61Å; I219-M243 HydrophobicContact CG2-CE 3.87Å; I219-M243 HydrophobicContact CG2-SD 4.03Å
220H93.7Very high83.6Confident8 Ų857.9 Ų57.94%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-97.3129.2173.9178-140.9000109.3L207 E208 T210 D227 Y229L207-H220 WeakPolarHBondContact CA-O 3.31Å; E208-H220 HydrophobicContact CG-CB 3.86Å; E208-H220 PolarHBondContact N-O 2.74Å; E208-H220 PolarHBondContact O-N 2.89Å; E208-H220 IonicContact OE1-CE1 2.78Å; E208-H220 IonicContact OE1-CG 3.4Å; E208-H220 IonicContact OE1-ND1 3.2Å; E208-H220 PolarHBondContact OE1-ND1 3.15Å; T210-H220 HydrophobicContact CG2-CB 3.81Å; H220-D227 IonicContact CE1-OD1 2.74Å; H220-D227 IonicContact NE2-OD1 3.26Å; H220-D227 PolarHBondContact NE2-OD1 2.71Å; H220-D227 VanDerWaalsContact NE2-OD1 3.16Å; H220-Y229 HydrophobicContact CB-CD1 3.96Å; H220-Y229 HydrophobicContact CB-CE1 3.77Å; H220-Y229 AromaticContact CD2-CD1 3.85Å; H220-Y229 AromaticContact CD2-CE1 3.35Å; H220-Y229 WeakPolarHBondContact CD2-CE1 3.41Å; H220-Y229 AromaticContact CD2-CZ 3.45Å; H220-Y229 VanDerWaalsContact CD2-CZ 3.45Å; H220-Y229 AromaticContact CG-CE1 3.53Å; H220-Y229 AromaticContact NE2-CZ 3.72Å
221V94.8Very high83.7Confident0 Ų056.5 Ų56.50%031%0.314CS..EExtended strand (participates in β ladder)trans-126.1114.9176.7-175.50000108.3L184 I204 R206 L207 I219 H228 F230 M243L184-V221 HydrophobicContact CD1-CG1 4.34Å; L184-V221 HydrophobicContact CD1-CG2 4.11Å; I204-V221 HydrophobicContact CD1-CG1 3.83Å; I204-V221 HydrophobicContact CG1-CG1 3.99Å; I204-V221 HydrophobicContact CG2-CG1 4.04Å; R206-V221 WeakPolarHBondContact O-CA 3.48Å; L207-V221 HydrophobicContact CD1-CG2 3.85Å; I219-V221 HydrophobicContact CG2-CG2 4.19Å; V221-H228 HydrophobicContact CB-CB 4.28Å; V221-H228 PolarHBondContact N-O 3.19Å; V221-H228 WeakPolarHBondContact O-CB 3.49Å; V221-H228 PolarHBondContact O-CD2 3.03Å; V221-H228 PolarHBondContact O-N 3.25Å; V221-F230 HydrophobicContact CB-CE2 4.46Å; V221-F230 HydrophobicContact CG2-CD2 4.21Å; V221-F230 HydrophobicContact CG2-CE2 4.04Å; V221-M243 HydrophobicContact CG2-CE 3.8Å
222L93.4Very high83.8Confident35 Ų3557.9 Ų57.918%0.18331%0.312CS..EExtended strand (participates in β ladder)trans-96.2118.3172.3-179.966.3000108.8W205 R206W205-L222 HydrophobicContact CB-CD2 4.1Å; W205-L222 HydrophobicContact CB-CG 4.2Å; W205-L222 PolarHBondContact N-O 3.45Å; R206-L222 HydrophobicContact CB-CB 3.83Å; R206-L222 HydrophobicContact CB-CD2 4.33Å; R206-L222 PolarHBondContact N-O 2.76Å; R206-L222 PolarHBondContact O-N 3.08Å
223A90.8Very high84.5Confident0 Ų054.3 Ų54.30%029%0.293CS..EExtended strand (participates in β ladder)trans-138.7135.3177.500000110.2I199 G225 E226I199-A223 HydrophobicContact CD1-CB 4.2Å; I199-A223 HydrophobicContact CG1-CB 4.49Å; I199-A223 HydrophobicContact CG2-CB 3.67Å; A223-G225 PolarHBondContact O-N 3.26Å; A223-E226 PolarHBondContact N-O 3.16Å; A223-E226 VanDerWaalsContact N-O 3.1Å; A223-E226 PolarHBondContact O-N 3.03Å
224H81.2Confident85.3Confident112 Ų11254.3 Ų54.352%0.51929%0.287SS..THydrogen-bonded Turntrans51.821.8-175.1-55.697.4000116.2E203 E226E203-H224 IonicContact OE1-CE1 2.71Å; E203-H224 IonicContact OE1-NE2 3.19Å; E203-H224 IonicContact OE2-CE1 2.94Å; E203-H224 PolarHBondContact OE2-CE1 3.22Å; E203-H224 VanDerWaalsContact OE2-CE1 3.28Å; H224-E226 VanDerWaalsContact C-N 3.32Å
225G83.6Confident86.3Confident61 Ų6153.4 Ų53.463%0.62928%0.28SS*.THydrogen-bonded Turntrans78.111.2-172.800000114.9A223A223-G225 PolarHBondContact O-N 3.26Å
226E89.3Confident87.6Confident118 Ų11853.1 Ų53.155%0.55128%0.278SS*.EExtended strand (participates in β ladder)trans-101.9128.9169.1-63.1-171.6-176.400110.5A223 H224 H228A223-E226 PolarHBondContact N-O 3.16Å; A223-E226 VanDerWaalsContact N-O 3.1Å; A223-E226 PolarHBondContact O-N 3.03Å; H224-E226 VanDerWaalsContact C-N 3.32Å; E226-H228 PolarHBondContact O-CD2 3.25Å; E226-H228 IonicContact OE2-CE1 3.77Å
227D91.8Very high88.6Confident89 Ų8952.6 Ų52.648%0.47628%0.278SS..EExtended strand (participates in β ladder)trans-82.8123.7174.1-52.2-84.6000111.1H220 Y229H220-D227 IonicContact CE1-OD1 2.74Å; H220-D227 IonicContact NE2-OD1 3.26Å; H220-D227 PolarHBondContact NE2-OD1 2.71Å; H220-D227 VanDerWaalsContact NE2-OD1 3.16Å; D227-Y229 HydrophobicContact CB-CD2 4.48Å; D227-Y229 HydrophobicContact CB-CE2 3.67Å
228H93.2Very high88.8Confident4 Ų449.5 Ų49.52%0.01926%0.263CS..EExtended strand (participates in β ladder)trans-118121.6177.9-56.1-68.1000110.5Y166 I199 V221 E226 F230Y166-H228 HydrophobicContact CE2-CB 3.9Å; Y166-H228 AromaticContact CE2-ND1 3.82Å; Y166-H228 AromaticContact CZ-ND1 3.86Å; Y166-H228 PolarHBondContact OH-ND1 3.03Å; I199-H228 VanDerWaalsContact CD1-CD2 3.43Å; I199-H228 WeakPolarHBondContact CD1-CD2 3.37Å; V221-H228 HydrophobicContact CB-CB 4.28Å; V221-H228 PolarHBondContact N-O 3.19Å; V221-H228 WeakPolarHBondContact O-CB 3.49Å; V221-H228 PolarHBondContact O-CD2 3.03Å; V221-H228 PolarHBondContact O-N 3.25Å; E226-H228 PolarHBondContact O-CD2 3.25Å; E226-H228 IonicContact OE2-CE1 3.77Å; H228-F230 HydrophobicContact CB-CE2 4.01Å; H228-F230 HydrophobicContact CB-CZ 4.43Å
229Y93Very high88.8Confident59 Ų5949.5 Ų49.523%0.23126%0.263CS..EExtended strand (participates in β ladder)trans-113.3129.1-179.6-61.3-89.9000111.9Y166 W167 L215 H220 D227Y166-Y229 WeakPolarHBondContact CA-O 3.5Å; W167-Y229 PolarHBondContact N-O 2.83Å; L215-Y229 HydrophobicContact CD1-CD1 4.13Å; L215-Y229 HydrophobicContact CD1-CG 4.23Å; H220-Y229 HydrophobicContact CB-CD1 3.96Å; H220-Y229 HydrophobicContact CB-CE1 3.77Å; H220-Y229 AromaticContact CD2-CD1 3.85Å; H220-Y229 AromaticContact CD2-CE1 3.35Å; H220-Y229 WeakPolarHBondContact CD2-CE1 3.41Å; H220-Y229 AromaticContact CD2-CZ 3.45Å; H220-Y229 VanDerWaalsContact CD2-CZ 3.45Å; H220-Y229 AromaticContact CG-CE1 3.53Å; H220-Y229 AromaticContact NE2-CZ 3.72Å; D227-Y229 HydrophobicContact CB-CD2 4.48Å; D227-Y229 HydrophobicContact CB-CE2 3.67Å
230F93.3Very high88.8Confident0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-118.9120.7176.9-58.3-85.8000110.4S165 Y166 L177 L184 F186 L197 S218 I219 V221 H228S165-F230 WeakPolarHBondContact O-CA 3.24Å; Y166-F230 HydrophobicContact CD2-CD1 4.08Å; Y166-F230 AromaticContact CD2-CE1 3.58Å; Y166-F230 HydrophobicContact CD2-CE1 3.58Å; Y166-F230 AromaticContact CD2-CZ 3.84Å; Y166-F230 HydrophobicContact CD2-CZ 3.84Å; Y166-F230 HydrophobicContact CE2-CE1 4.44Å; Y166-F230 HydrophobicContact CE2-CZ 4.27Å; Y166-F230 HydrophobicContact CG-CE1 4.2Å; L177-F230 HydrophobicContact CD1-CD1 4.35Å; L177-F230 HydrophobicContact CD1-CE1 4.06Å; L177-F230 HydrophobicContact CD1-CZ 4.36Å; L184-F230 HydrophobicContact CD1-CE2 4.49Å; L184-F230 HydrophobicContact CD2-CE2 4.35Å; L184-F230 HydrophobicContact CD2-CZ 3.89Å; F186-F230 HydrophobicContact CB-CE1 4Å; F186-F230 HydrophobicContact CD2-CD1 4.37Å; F186-F230 HydrophobicContact CD2-CE1 4.03Å; F186-F230 HydrophobicContact CG-CE1 4.07Å; L197-F230 HydrophobicContact CD2-CZ 3.96Å; S218-F230 CarbonylContact C-O 3.6Å; S218-F230 WeakPolarHBondContact CA-O 3.32Å; S218-F230 VanDerWaalsContact CB-O 3.3Å; S218-F230 WeakPolarHBondContact CB-O 3.46Å; I219-F230 PolarHBondContact N-O 2.78Å; I219-F230 PolarHBondContact O-N 3.46Å; V221-F230 HydrophobicContact CB-CE2 4.46Å; V221-F230 HydrophobicContact CG2-CD2 4.21Å; V221-F230 HydrophobicContact CG2-CE2 4.04Å; H228-F230 HydrophobicContact CB-CE2 4.01Å; H228-F230 HydrophobicContact CB-CZ 4.43Å
231S90.1Very high88.6Confident1 Ų152.5 Ų52.51%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-129.7-178.5-178.776.80000112.4C164 S165 W167 L233C164-S231 WeakPolarHBondContact CA-O 3.42Å; C164-S231 WeakPolarHBondContact CB-O 3.27Å; S165-S231 PolarHBondContact N-O 2.78Å; S165-S231 PolarHBondContact O-N 3.15Å; W167-S231 PolarHBondContact NE1-OG 3.06Å; S231-L233 PolarHBondContact O-N 2.74Å
232M82.7Confident88.6Confident113 Ų11352.5 Ų52.556%0.55728%0.28SS*.  trans60.233.4-178.5-54.6-62.9163.600113.3T216T216-M232 HydrophobicContact CG2-CE 4.03Å; T216-M232 WeakPolarHBondContact OG1-CE 3.31Å
233L83.3Confident88.6Confident18 Ų1850.9 Ų50.99%0.09427%0.272CS..  trans-83.2123.8174.8-73.7163.4000110.3Y162 C164 I219 S231 H235 L236 T239Y162-L233 HydrophobicContact CG-CD2 4.36Å; C164-L233 HydrophobicContact CB-CD2 3.69Å; C164-L233 HydrophobicContact CB-CG 4.01Å; I219-L233 HydrophobicContact CD1-CD1 3.59Å; I219-L233 HydrophobicContact CG1-CD1 3.96Å; S231-L233 PolarHBondContact O-N 2.74Å; L233-H235 VanDerWaalsContact C-N 3.29Å; L233-H235 PolarHBondContact O-N 3.49Å; L233-L236 HydrophobicContact CB-CB 4Å; L233-L236 HydrophobicContact CD1-CD1 4.4Å; L233-L236 HydrophobicContact CD1-CG 4.32Å; L233-T239 HydrophobicContact CD1-CG2 4.05Å; L233-T239 HydrophobicContact CD2-CG2 4.08Å
234L76.9Confident88.7Confident159 Ų15951.6 Ų51.683%0.83228%0.275SS*.THydrogen-bonded Turntrans-55.6-40.7177.3-90.7157.8000113.4
235H81.3Confident89.1Confident114 Ų11446.5 Ų46.553%0.52825%0.252SS..THydrogen-bonded Turntrans-128.961.1-178.7-58.7-52.5000110L233 S237 E238 T239L233-H235 VanDerWaalsContact C-N 3.29Å; L233-H235 PolarHBondContact O-N 3.49Å; H235-S237 VanDerWaalsContact C-N 3.28Å; H235-S237 PolarHBondContact O-N 3.5Å; H235-E238 HydrophobicContact CB-CB 3.99Å; H235-E238 PolarHBondContact O-N 3.39Å; H235-E238 VanDerWaalsContact O-N 3.09Å; H235-T239 PolarHBondContact O-N 3.36Å; H235-T239 PolarHBondContact O-OG1 3.24Å
236L89.2Confident89.6Confident12 Ų1243.6 Ų43.66%0.06322%0.222CC..Hα-helixtrans-51.5-43.4-175.6-177.6146.1000113.2K209 E217 I219 L233 E238 T239 F240K209-L236 HydrophobicContact CD-CD2 3.83Å; K209-L236 HydrophobicContact CG-CD2 4.02Å; E217-L236 HydrophobicContact CB-CD1 3.79Å; E217-L236 WeakPolarHBondContact O-CD1 3.4Å; I219-L236 HydrophobicContact CD1-CG 4.37Å; I219-L236 HydrophobicContact CG1-CD1 4.3Å; I219-L236 HydrophobicContact CG1-CD2 4.41Å; I219-L236 HydrophobicContact CG1-CG 4.02Å; L233-L236 HydrophobicContact CB-CB 4Å; L233-L236 HydrophobicContact CD1-CD1 4.4Å; L233-L236 HydrophobicContact CD1-CG 4.32Å; L236-E238 PolarHBondContact O-N 2.85Å; L236-T239 PolarHBondContact O-N 2.93Å; L236-F240 VanDerWaalsContact O-CB 3.3Å; L236-F240 WeakPolarHBondContact O-CB 3.34Å; L236-F240 PolarHBondContact O-N 2.99Å
237S88.8Confident89.7Confident69 Ų6938 Ų3848%0.48320%0.195SC..Hα-helixtrans-68.5-33.3-179.5-79.30000113.8K209 H235 V241K209-S237 PolarHBondContact NZ-OG 3.1Å; H235-S237 VanDerWaalsContact C-N 3.28Å; H235-S237 PolarHBondContact O-N 3.5Å; S237-V241 WeakPolarHBondContact O-CG2 3.23Å; S237-V241 PolarHBondContact O-N 2.65Å
238E88.6Confident89.4Confident67 Ų6734.4 Ų34.431%0.31318%0.176SC..Hα-helixtrans-71.4-48.1173.8-175.3-167.6125.500110.4H235 L236 F240 V241 I242 K274H235-E238 HydrophobicContact CB-CB 3.99Å; H235-E238 PolarHBondContact O-N 3.39Å; H235-E238 VanDerWaalsContact O-N 3.09Å; L236-E238 PolarHBondContact O-N 2.85Å; E238-F240 VanDerWaalsContact C-N 3.28Å; E238-F240 PolarHBondContact O-N 3.43Å; E238-V241 PolarHBondContact O-N 2.87Å; E238-V241 VanDerWaalsContact O-N 3.11Å; E238-I242 PolarHBondContact O-N 2.97Å; E238-I242 VanDerWaalsContact O-N 3.08Å; E238-K274 WeakPolarHBondContact OE1-CE 3.33Å; E238-K274 IonicContact OE1-NZ 3.17Å; E238-K274 PolarHBondContact OE1-NZ 3Å
239T91.7Very high89Confident0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-52.8-48.3175.7-53.80000110.7Y162 L177 I219 L233 H235 L236 V241 I242 M243Y162-T239 HydrophobicContact CD2-CG2 3.65Å; Y162-T239 WeakPolarHBondContact CE1-OG1 3.43Å; Y162-T239 HydrophobicContact CE2-CG2 3.71Å; Y162-T239 HydrophobicContact CG-CG2 4.12Å; L177-T239 HydrophobicContact CD2-CG2 4.34Å; I219-T239 HydrophobicContact CD1-CG2 3.88Å; L233-T239 HydrophobicContact CD1-CG2 4.05Å; L233-T239 HydrophobicContact CD2-CG2 4.08Å; H235-T239 PolarHBondContact O-N 3.36Å; H235-T239 PolarHBondContact O-OG1 3.24Å; L236-T239 PolarHBondContact O-N 2.93Å; T239-V241 PolarHBondContact O-N 3.17Å; T239-I242 PolarHBondContact O-N 3.16Å; T239-M243 HydrophobicContact CG2-SD 3.95Å; T239-M243 VanDerWaalsContact O-CG 3.29Å; T239-M243 WeakPolarHBondContact O-CG 3.27Å; T239-M243 PolarHBondContact O-N 2.57Å
240F93.3Very high88.6Confident20 Ų2031.6 Ų31.69%0.08817%0.165CC..Hα-helixtrans-60.2-43.5178.5-176.5-90.5000112.9L207 K209 I219 L236 E238 I242 M243 E244L207-F240 HydrophobicContact CD1-CD2 4.44Å; L207-F240 HydrophobicContact CD1-CE2 4.1Å; L207-F240 HydrophobicContact CG-CD2 4.48Å; L207-F240 HydrophobicContact CG-CE2 3.79Å; L207-F240 HydrophobicContact CG-CZ 4.22Å; K209-F240 HydrophobicContact CD-CD1 4.44Å; K209-F240 HydrophobicContact CD-CD2 4.49Å; K209-F240 HydrophobicContact CD-CG 4.21Å; K209-F240 VanDerWaalsContact CE-CB 3.44Å; K209-F240 HydrophobicContact CG-CB 4.38Å; K209-F240 HydrophobicContact CG-CD1 4.3Å; K209-F240 HydrophobicContact CG-CD2 3.61Å; K209-F240 HydrophobicContact CG-CE2 3.92Å; K209-F240 HydrophobicContact CG-CG 3.82Å; K209-F240 HydrophobicContact CG-CZ 4.38Å; I219-F240 HydrophobicContact CD1-CB 3.92Å; I219-F240 HydrophobicContact CD1-CD2 4.28Å; I219-F240 HydrophobicContact CG1-CB 4.48Å; I219-F240 HydrophobicContact CG1-CD2 4.21Å; I219-F240 HydrophobicContact CG2-CD2 4.03Å; I219-F240 HydrophobicContact CG2-CE2 4.48Å; L236-F240 VanDerWaalsContact O-CB 3.3Å; L236-F240 WeakPolarHBondContact O-CB 3.34Å; L236-F240 PolarHBondContact O-N 2.99Å; E238-F240 VanDerWaalsContact C-N 3.28Å; E238-F240 PolarHBondContact O-N 3.43Å; F240-I242 VanDerWaalsContact C-N 3.33Å; F240-I242 PolarHBondContact O-N 3.05Å; F240-M243 PolarHBondContact O-N 2.84Å; F240-E244 HydrophobicContact CE1-CB 4.38Å; F240-E244 WeakPolarHBondContact O-CB 3.11Å; F240-E244 PolarHBondContact O-N 2.99Å
241V91.3Very high87.9Confident51 Ų5131.9 Ų31.931%0.30917%0.166SC..Hα-helixtrans-63.5-39.9178.2169.60000110.9S237 E238 T239 E244 Q245 A281S237-V241 WeakPolarHBondContact O-CG2 3.23Å; S237-V241 PolarHBondContact O-N 2.65Å; E238-V241 PolarHBondContact O-N 2.87Å; E238-V241 VanDerWaalsContact O-N 3.11Å; T239-V241 PolarHBondContact O-N 3.17Å; V241-E244 PolarHBondContact O-N 3.24Å; V241-Q245 HydrophobicContact CG1-CG 4.28Å; V241-Q245 VanDerWaalsContact O-CB 3.31Å; V241-Q245 WeakPolarHBondContact O-CB 3.38Å; V241-Q245 WeakPolarHBondContact O-CG 3.14Å; V241-Q245 PolarHBondContact O-N 3.19Å; V241-A281 HydrophobicContact CG1-CB 3.94Å
242I92.9Very high87.3Confident1 Ų133.7 Ų33.71%0.00517%0.174CC..Hα-helixtrans-63.9-42.8174.8-59.9-60.2000111.4T160 L179 E238 T239 F240 Q245 L246 K274 L277 E278T160-I242 HydrophobicContact CG2-CG2 3.98Å; L179-I242 HydrophobicContact CD1-CB 4.45Å; L179-I242 HydrophobicContact CD1-CG2 3.92Å; E238-I242 PolarHBondContact O-N 2.97Å; E238-I242 VanDerWaalsContact O-N 3.08Å; T239-I242 PolarHBondContact O-N 3.16Å; F240-I242 VanDerWaalsContact C-N 3.33Å; F240-I242 PolarHBondContact O-N 3.05Å; I242-Q245 PolarHBondContact O-N 3.48Å; I242-L246 HydrophobicContact CG2-CD1 4.02Å; I242-L246 WeakPolarHBondContact O-CG 3.37Å; I242-L246 PolarHBondContact O-N 2.87Å; I242-K274 HydrophobicContact CD1-CG 4.04Å; I242-K274 HydrophobicContact CG1-CG 4.45Å; I242-L277 HydrophobicContact CD1-CB 4.02Å; I242-L277 HydrophobicContact CG2-CD1 4.14Å; I242-E278 HydrophobicContact CD1-CG 3.93Å
243M95.1Very high87.1Confident0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-63.6-43.3176.2-64.6172.771.400112L177 L179 L184 W201 L207 I219 V221 T239 F240 Q245 L246 A247L177-M243 HydrophobicContact CD2-SD 4.35Å; L179-M243 HydrophobicContact CD1-CG 3.57Å; L179-M243 HydrophobicContact CD2-CG 4.18Å; L184-M243 HydrophobicContact CD1-CE 3.58Å; W201-M243 HydrophobicContact CH2-CB 4.05Å; W201-M243 HydrophobicContact CH2-CG 4Å; W201-M243 HydrophobicContact CZ3-CB 4.13Å; W201-M243 HydrophobicContact CZ3-CG 4.49Å; L207-M243 HydrophobicContact CD1-CB 4.3Å; L207-M243 HydrophobicContact CD1-CE 3.84Å; L207-M243 HydrophobicContact CD2-CB 3.89Å; I219-M243 HydrophobicContact CD1-SD 3.61Å; I219-M243 HydrophobicContact CG2-CE 3.87Å; I219-M243 HydrophobicContact CG2-SD 4.03Å; V221-M243 HydrophobicContact CG2-CE 3.8Å; T239-M243 HydrophobicContact CG2-SD 3.95Å; T239-M243 VanDerWaalsContact O-CG 3.29Å; T239-M243 WeakPolarHBondContact O-CG 3.27Å; T239-M243 PolarHBondContact O-N 2.57Å; F240-M243 PolarHBondContact O-N 2.84Å; M243-Q245 VanDerWaalsContact C-N 3.33Å; M243-Q245 PolarHBondContact O-N 2.86Å; M243-L246 PolarHBondContact O-N 3.02Å; M243-A247 VanDerWaalsContact O-CB 3.32Å; M243-A247 WeakPolarHBondContact O-CB 3.29Å; M243-A247 PolarHBondContact O-N 3.03Å
244E91.9Very high86.6Confident16 Ų1628.4 Ų28.48%0.07515%0.147CC..Hα-helixtrans-61.4-42.3176.2178.7-171.3-89.400111.2L207 F240 V241 N248 K769L207-E244 HydrophobicContact CD2-CB 4.27Å; F240-E244 HydrophobicContact CE1-CB 4.38Å; F240-E244 WeakPolarHBondContact O-CB 3.11Å; F240-E244 PolarHBondContact O-N 2.99Å; V241-E244 PolarHBondContact O-N 3.24Å; E244-N248 WeakPolarHBondContact CG-ND2 3.35Å; E244-N248 VanDerWaalsContact O-CB 3.32Å; E244-N248 WeakPolarHBondContact O-CB 3.3Å; E244-N248 PolarHBondContact O-N 3.32Å; E244-N248 PolarHBondContact O-ND2 3.24Å; E244-K769 WeakPolarHBondContact OE2-CD 3.42Å; E244-K769 IonicContact OE2-NZ 2.6Å; E244-K769 PolarHBondContact OE2-NZ 3.06Å
245Q90.6Very high86.3Confident5 Ų521.4 Ų21.42%0.02311%0.11CC..Hα-helixtrans-68.4-40.6179.3-72.1-73.3-45.700111.9V241 I242 M243 Y249 L277 H280 A281 E284V241-Q245 HydrophobicContact CG1-CG 4.28Å; V241-Q245 VanDerWaalsContact O-CB 3.31Å; V241-Q245 WeakPolarHBondContact O-CB 3.38Å; V241-Q245 WeakPolarHBondContact O-CG 3.14Å; V241-Q245 PolarHBondContact O-N 3.19Å; I242-Q245 PolarHBondContact O-N 3.48Å; M243-Q245 VanDerWaalsContact C-N 3.33Å; M243-Q245 PolarHBondContact O-N 2.86Å; Q245-Y249 WeakPolarHBondContact O-CB 3.05Å; Q245-Y249 PolarHBondContact O-N 3.03Å; Q245-L277 HydrophobicContact CB-CB 4.38Å; Q245-L277 HydrophobicContact CB-CD2 3.98Å; Q245-H280 PolarHBondContact OE1-CE1 3.26Å; Q245-H280 PolarHBondContact OE1-ND1 2.93Å; Q245-A281 HydrophobicContact CG-CB 4.07Å; Q245-E284 PolarHBondContact NE2-OE2 3.19Å
246L92.7Very high85.5Confident0 Ų018.8 Ų18.80%010%0.1CC..Hα-helixtrans-67.6-41.8174.2-72.7169.4000112.5V159 L179 W201 I242 M243 Y249 S250 I272 L277V159-L246 HydrophobicContact CG2-CD2 4.33Å; L179-L246 HydrophobicContact CB-CD1 3.91Å; L179-L246 HydrophobicContact CD1-CD1 4.48Å; W201-L246 HydrophobicContact CD2-CB 3.91Å; W201-L246 HydrophobicContact CE3-CB 4.39Å; W201-L246 HydrophobicContact CG-CB 4.32Å; W201-L246 HydrophobicContact CH2-CB 4.38Å; W201-L246 HydrophobicContact CH2-CD1 4.43Å; W201-L246 HydrophobicContact CZ2-CB 3.85Å; W201-L246 HydrophobicContact CZ2-CD1 3.62Å; W201-L246 HydrophobicContact CZ2-CG 4.38Å; I242-L246 HydrophobicContact CG2-CD1 4.02Å; I242-L246 WeakPolarHBondContact O-CG 3.37Å; I242-L246 PolarHBondContact O-N 2.87Å; M243-L246 PolarHBondContact O-N 3.02Å; L246-Y249 WeakPolarHBondContact O-CB 3.45Å; L246-Y249 PolarHBondContact O-N 3.12Å; L246-S250 PolarHBondContact O-N 2.84Å; L246-S250 PolarHBondContact O-OG 3.02Å; L246-I272 HydrophobicContact CD2-CG2 4.43Å; L246-L277 HydrophobicContact CD1-CD1 4.48Å; L246-L277 HydrophobicContact CD2-CD1 3.83Å; L246-L277 HydrophobicContact CG-CD1 3.91Å
247A91.5Very high83.8Confident0 Ų020.6 Ų20.60%011%0.107CC..Hα-helixtrans-61.3-49.4175.200000111.9W201 L207 M243 Y249 S250 I251 L773W201-A247 HydrophobicContact CE3-CB 4.03Å; L207-A247 HydrophobicContact CD2-CB 4.32Å; M243-A247 VanDerWaalsContact O-CB 3.32Å; M243-A247 WeakPolarHBondContact O-CB 3.29Å; M243-A247 PolarHBondContact O-N 3.03Å; A247-Y249 VanDerWaalsContact C-N 3.27Å; A247-Y249 PolarHBondContact O-N 3.4Å; A247-S250 PolarHBondContact O-N 3.19Å; A247-I251 WeakPolarHBondContact O-CB 3.49Å; A247-I251 PolarHBondContact O-N 3.32Å; A247-L773 HydrophobicContact CB-CD1 4.49Å; A247-L773 HydrophobicContact CB-CD2 4.09Å
248N85.3Confident82.1Confident13 Ų1320.9 Ų20.97%0.0710%0.101CC..Hα-helixtrans-63-33.6173.9-80.6-66.9000112.3E244 K252E244-N248 WeakPolarHBondContact CG-ND2 3.35Å; E244-N248 VanDerWaalsContact O-CB 3.32Å; E244-N248 WeakPolarHBondContact O-CB 3.3Å; E244-N248 PolarHBondContact O-N 3.32Å; E244-N248 PolarHBondContact O-ND2 3.24Å; N248-K252 VanDerWaalsContact O-CB 3.28Å; N248-K252 WeakPolarHBondContact O-CB 3.22Å; N248-K252 WeakPolarHBondContact O-CG 3.1Å; N248-K252 PolarHBondContact O-N 2.78Å
249Y85.3Confident80.3Confident5 Ų519.8 Ų19.82%0.0210%0.104CC..Hα-helixtrans-63.6-54.6176.6177.5-100.6000112.1T181 Q245 L246 A247 I251 K252 R253 F260 L266 P269 I272T181-Y249 HydrophobicContact CG2-CE1 4.29Å; Q245-Y249 WeakPolarHBondContact O-CB 3.05Å; Q245-Y249 PolarHBondContact O-N 3.03Å; L246-Y249 WeakPolarHBondContact O-CB 3.45Å; L246-Y249 PolarHBondContact O-N 3.12Å; A247-Y249 VanDerWaalsContact C-N 3.27Å; A247-Y249 PolarHBondContact O-N 3.4Å; Y249-I251 VanDerWaalsContact C-N 3.3Å; Y249-I251 PolarHBondContact O-N 3.02Å; Y249-K252 PolarHBondContact O-N 2.68Å; Y249-R253 VanDerWaalsContact O-CB 3.22Å; Y249-R253 WeakPolarHBondContact O-CB 3.41Å; Y249-R253 PolarHBondContact O-N 3.22Å; Y249-R253 WeakPolarHBondContact OH-CD 3.29Å; Y249-F260 HydrophobicContact CD2-CD1 4.32Å; Y249-F260 HydrophobicContact CD2-CD2 4.06Å; Y249-F260 AromaticContact CD2-CE1 3.8Å; Y249-F260 HydrophobicContact CD2-CE1 3.8Å; Y249-F260 AromaticContact CD2-CE2 3.47Å; Y249-F260 HydrophobicContact CD2-CE2 3.47Å; Y249-F260 VanDerWaalsContact CD2-CE2 3.47Å; Y249-F260 HydrophobicContact CD2-CG 4.45Å; Y249-F260 AromaticContact CD2-CZ 3.34Å; Y249-F260 HydrophobicContact CD2-CZ 3.34Å; Y249-F260 HydrophobicContact CE2-CD1 4.29Å; Y249-F260 AromaticContact CE2-CD2 3.71Å; Y249-F260 HydrophobicContact CE2-CD2 3.71Å; Y249-F260 HydrophobicContact CE2-CE1 4.21Å; Y249-F260 AromaticContact CE2-CE2 3.59Å; Y249-F260 HydrophobicContact CE2-CE2 3.59Å; Y249-F260 HydrophobicContact CE2-CG 4.06Å; Y249-F260 AromaticContact CE2-CZ 3.88Å; Y249-F260 HydrophobicContact CE2-CZ 3.88Å; Y249-F260 HydrophobicContact CG-CE2 4.37Å; Y249-F260 HydrophobicContact CG-CZ 4.26Å; Y249-L266 HydrophobicContact CD2-CB 4.24Å; Y249-L266 HydrophobicContact CE2-CB 3.99Å; Y249-L266 VanDerWaalsContact CE2-O 3.23Å; Y249-L266 WeakPolarHBondContact CE2-O 3.34Å; Y249-L266 PolarHBondContact OH-O 3.42Å; Y249-P269 HydrophobicContact CE1-CB 4.13Å; Y249-P269 WeakPolarHBondContact OH-CA 3.37Å; Y249-P269 WeakPolarHBondContact OH-CB 3.5Å; Y249-P269 WeakPolarHBondContact OH-CG 3.38Å; Y249-I272 HydrophobicContact CD1-CD1 3.75Å; Y249-I272 HydrophobicContact CD2-CD1 3.93Å; Y249-I272 HydrophobicContact CE1-CD1 3.38Å; Y249-I272 HydrophobicContact CE2-CD1 3.62Å; Y249-I272 HydrophobicContact CG-CD1 4Å
250S83.9Confident78.4Confident0 Ų020.6 Ų20.60%011%0.107CC..Hα-helixtrans-61.4-40.1178.9-66.40000111.7W201 L246 A247 L254W201-S250 WeakPolarHBondContact CB-OG 3.38Å; L246-S250 PolarHBondContact O-N 2.84Å; L246-S250 PolarHBondContact O-OG 3.02Å; A247-S250 PolarHBondContact O-N 3.19Å; S250-L254 VanDerWaalsContact O-CB 3.28Å; S250-L254 WeakPolarHBondContact O-CB 3.18Å; S250-L254 WeakPolarHBondContact O-CD1 3.49Å; S250-L254 WeakPolarHBondContact O-CG 3.41Å; S250-L254 PolarHBondContact O-N 3.1Å
251I79.2Confident76.4Confident5 Ų526.7 Ų26.73%0.02614%0.136CC..Hα-helixtrans-62.4-55.9174.7-79.3-173.9000112A247 Y249 R253 L254 F255 L773 I776A247-I251 WeakPolarHBondContact O-CB 3.49Å; A247-I251 PolarHBondContact O-N 3.32Å; Y249-I251 VanDerWaalsContact C-N 3.3Å; Y249-I251 PolarHBondContact O-N 3.02Å; I251-R253 VanDerWaalsContact C-N 3.32Å; I251-R253 PolarHBondContact O-N 3.08Å; I251-L254 PolarHBondContact O-N 3.28Å; I251-F255 HydrophobicContact CG1-CD2 4.46Å; I251-F255 HydrophobicContact CG1-CE2 4.36Å; I251-F255 WeakPolarHBondContact O-CB 3.25Å; I251-F255 VanDerWaalsContact O-CD2 3.32Å; I251-F255 WeakPolarHBondContact O-CD2 3.21Å; I251-F255 PolarHBondContact O-N 3.18Å; I251-L773 HydrophobicContact CD1-CD2 3.45Å; I251-L773 VanDerWaalsContact CD1-CD2 3.45Å; I251-L773 HydrophobicContact CD1-CG 4.38Å; I251-I776 HydrophobicContact CD1-CG2 4.35Å; I251-I776 HydrophobicContact CG2-CD1 3.41Å; I251-I776 VanDerWaalsContact CG2-CD1 3.41Å; I251-I776 HydrophobicContact CG2-CG2 4.29Å
252K76.9Confident74.6Confident39 Ų3927.3 Ų27.317%0.1715%0.152CC..Hα-helixtrans-54.8-51.5178.6-78.5171.9177.2176.40109N248 Y249 L254 D256 K257 A259 F260 E284N248-K252 VanDerWaalsContact O-CB 3.28Å; N248-K252 WeakPolarHBondContact O-CB 3.22Å; N248-K252 WeakPolarHBondContact O-CG 3.1Å; N248-K252 PolarHBondContact O-N 2.78Å; Y249-K252 PolarHBondContact O-N 2.68Å; K252-L254 PolarHBondContact O-N 2.96Å; K252-D256 CarbonylContact O-C 3.58Å; K252-D256 WeakPolarHBondContact O-CA 3.2Å; K252-D256 PolarHBondContact O-N 2.84Å; K252-K257 PolarHBondContact O-N 2.77Å; K252-A259 HydrophobicContact CB-CB 3.98Å; K252-A259 HydrophobicContact CD-CB 4.15Å; K252-A259 HydrophobicContact CG-CB 4.15Å; K252-F260 HydrophobicContact CB-CD2 4.43Å; K252-F260 HydrophobicContact CB-CE2 3.37Å; K252-F260 HydrophobicContact CB-CZ 3.5Å; K252-F260 VanDerWaalsContact CB-CZ 3.5Å; K252-F260 HydrophobicContact CD-CE1 4.05Å; K252-F260 HydrophobicContact CD-CE2 4.25Å; K252-F260 HydrophobicContact CD-CZ 3.51Å; K252-F260 HydrophobicContact CG-CE2 4.46Å; K252-F260 HydrophobicContact CG-CZ 4.14Å; K252-E284 IonicContact NZ-OE1 2.97Å; K252-E284 PolarHBondContact NZ-OE1 2.87Å
253R78.4Confident73.2Confident15 Ų1528.3 Ų28.36%0.05716%0.157CC..Hα-helixtrans-62.2-37.8-175.5175.2171.9158.9-137.73.9115.1N182 Y249 I251 F260 C817 Y818 M821N182-R253 PolarHBondContact OD1-NH1 3.2Å; Y249-R253 VanDerWaalsContact O-CB 3.22Å; Y249-R253 WeakPolarHBondContact O-CB 3.41Å; Y249-R253 PolarHBondContact O-N 3.22Å; Y249-R253 WeakPolarHBondContact OH-CD 3.29Å; I251-R253 VanDerWaalsContact C-N 3.32Å; I251-R253 PolarHBondContact O-N 3.08Å; R253-F260 HydrophobicContact CB-CD2 4.34Å; R253-F260 HydrophobicContact CB-CE2 4.1Å; R253-C817 PolarHBondContact NH2-O 3.28Å; R253-Y818 PolarHBondContact NH2-O 2.91Å; R253-M821 VanDerWaalsContact NH2-CE 3.3Å
254L74.2Confident71.8Confident5 Ų533.7 Ų33.73%0.02619%0.192CC..Hα-helixtrans-93.8-28.8-172.1-62.3166.4000113.3D202 S250 I251 K252 F814 C817 Y818 H829D202-L254 HydrophobicContact CB-CD1 4.09Å; S250-L254 VanDerWaalsContact O-CB 3.28Å; S250-L254 WeakPolarHBondContact O-CB 3.18Å; S250-L254 WeakPolarHBondContact O-CD1 3.49Å; S250-L254 WeakPolarHBondContact O-CG 3.41Å; S250-L254 PolarHBondContact O-N 3.1Å; I251-L254 PolarHBondContact O-N 3.28Å; K252-L254 PolarHBondContact O-N 2.96Å; L254-F814 HydrophobicContact CB-CD1 4.29Å; L254-F814 HydrophobicContact CB-CE1 3.9Å; L254-F814 HydrophobicContact CB-CZ 4.35Å; L254-F814 HydrophobicContact CD1-CD1 4.29Å; L254-F814 HydrophobicContact CD1-CE1 4.49Å; L254-F814 HydrophobicContact CD1-CG 4.35Å; L254-F814 HydrophobicContact CD2-CD1 3.98Å; L254-F814 HydrophobicContact CD2-CE1 4.44Å; L254-F814 HydrophobicContact CG-CD1 4.41Å; L254-F814 HydrophobicContact CG-CE1 4.5Å; L254-C817 HydrophobicContact CD2-CB 3.55Å; L254-Y818 HydrophobicContact CD1-CD1 4.33Å; L254-Y818 HydrophobicContact CD1-CE1 3.74Å; L254-Y818 HydrophobicContact CD2-CD1 4.37Å; L254-Y818 HydrophobicContact CD2-CE1 4.46Å; L254-H829 PolarHBondContact O-NE2 3.37Å
255F70.5Confident70.5Confident13 Ų1335.3 Ų35.36%0.05721%0.208CC..Hα-helixtrans-112.9-13-176.2-54.4-100.2000112.9D202 I251 E780 F814 P831 Y839D202-F255 HydrophobicContact CB-CE2 3.94Å; D202-F255 HydrophobicContact CB-CZ 4.26Å; I251-F255 HydrophobicContact CG1-CD2 4.46Å; I251-F255 HydrophobicContact CG1-CE2 4.36Å; I251-F255 WeakPolarHBondContact O-CB 3.25Å; I251-F255 VanDerWaalsContact O-CD2 3.32Å; I251-F255 WeakPolarHBondContact O-CD2 3.21Å; I251-F255 PolarHBondContact O-N 3.18Å; F255-E780 HydrophobicContact CD1-CG 4.01Å; F255-E780 VanDerWaalsContact CE1-CD 3.47Å; F255-E780 HydrophobicContact CE1-CG 3.61Å; F255-F814 HydrophobicContact CE1-CE2 4.48Å; F255-F814 AromaticContact CE1-CZ 3.8Å; F255-F814 HydrophobicContact CE1-CZ 3.8Å; F255-F814 HydrophobicContact CE2-CE2 4.38Å; F255-F814 AromaticContact CE2-CZ 3.96Å; F255-F814 HydrophobicContact CE2-CZ 3.96Å; F255-F814 AromaticContact CZ-CE2 3.84Å; F255-F814 HydrophobicContact CZ-CE2 3.84Å; F255-F814 AromaticContact CZ-CZ 3.47Å; F255-F814 HydrophobicContact CZ-CZ 3.47Å; F255-F814 VanDerWaalsContact CZ-CZ 3.47Å; F255-P831 WeakPolarHBondContact O-CB 3.46Å; F255-P831 WeakPolarHBondContact O-CG 3.44Å; F255-Y839 WeakPolarHBondContact CE1-OH 3.45Å
256D64.2Low69.6Low59 Ų5935.1 Ų35.132%0.31621%0.207SC..SBendtrans-14762.6179.9-177.518.7000111.1K252 E258 A259K252-D256 CarbonylContact O-C 3.58Å; K252-D256 WeakPolarHBondContact O-CA 3.2Å; K252-D256 PolarHBondContact O-N 2.84Å; D256-E258 PolarHBondContact O-N 2.96Å; D256-A259 PolarHBondContact O-N 2.96Å
257K53.7Low68.5Low50 Ų5038.3 Ų38.322%0.21723%0.23CC..THydrogen-bonded Turntrans-44.1-22.2-167.1-70.6178.3173.5175.70117.4K252 L826 H829K252-K257 PolarHBondContact O-N 2.77Å; K257-L826 WeakPolarHBondContact CE-O 3.31Å; K257-L826 PolarHBondContact NZ-O 2.97Å; K257-H829 WeakPolarHBondContact CE-O 3.42Å; K257-H829 VanDerWaalsContact NZ-N 3.13Å; K257-H829 PolarHBondContact NZ-O 3.4Å
258E52.3Low67.7Low74 Ų7440.8 Ų40.835%0.34624%0.243SC..THydrogen-bonded Turntrans-97.6-6.3-165.3-54.1-171.8140.600113.9D256 F260 K571D256-E258 PolarHBondContact O-N 2.96Å; E258-F260 VanDerWaalsContact C-N 3.29Å; E258-F260 PolarHBondContact O-N 3.2Å; E258-K571 VanDerWaalsContact CD-NZ 3.32Å; E258-K571 IonicContact OE1-NZ 2.75Å; E258-K571 WeakPolarHBondContact OE2-CD 3.49Å; E258-K571 WeakPolarHBondContact OE2-CE 3.31Å; E258-K571 WeakPolarHBondContact OE2-CG 3.3Å; E258-K571 IonicContact OE2-NZ 3.56Å; E258-K571 PolarHBondContact OE2-NZ 2.93Å
259A51.1Low67.2Low45 Ų4540.2 Ų40.237%0.37224%0.24SC..THydrogen-bonded Turntrans-63.1-24.6-173.300000115.6K252 D256K252-A259 HydrophobicContact CB-CB 3.98Å; K252-A259 HydrophobicContact CD-CB 4.15Å; K252-A259 HydrophobicContact CG-CB 4.15Å; D256-A259 PolarHBondContact O-N 2.96Å
260F52.4Low66.7Low16 Ų1642.3 Ų42.37%0.0725%0.251CS..THydrogen-bonded Turntrans-102.95.8-172.1-62.4-63.9000115.5Y249 K252 R253 E258 G262 E263 L266Y249-F260 HydrophobicContact CD2-CD1 4.32Å; Y249-F260 HydrophobicContact CD2-CD2 4.06Å; Y249-F260 AromaticContact CD2-CE1 3.8Å; Y249-F260 HydrophobicContact CD2-CE1 3.8Å; Y249-F260 AromaticContact CD2-CE2 3.47Å; Y249-F260 HydrophobicContact CD2-CE2 3.47Å; Y249-F260 VanDerWaalsContact CD2-CE2 3.47Å; Y249-F260 HydrophobicContact CD2-CG 4.45Å; Y249-F260 AromaticContact CD2-CZ 3.34Å; Y249-F260 HydrophobicContact CD2-CZ 3.34Å; Y249-F260 HydrophobicContact CE2-CD1 4.29Å; Y249-F260 AromaticContact CE2-CD2 3.71Å; Y249-F260 HydrophobicContact CE2-CD2 3.71Å; Y249-F260 HydrophobicContact CE2-CE1 4.21Å; Y249-F260 AromaticContact CE2-CE2 3.59Å; Y249-F260 HydrophobicContact CE2-CE2 3.59Å; Y249-F260 HydrophobicContact CE2-CG 4.06Å; Y249-F260 AromaticContact CE2-CZ 3.88Å; Y249-F260 HydrophobicContact CE2-CZ 3.88Å; Y249-F260 HydrophobicContact CG-CE2 4.37Å; Y249-F260 HydrophobicContact CG-CZ 4.26Å; K252-F260 HydrophobicContact CB-CD2 4.43Å; K252-F260 HydrophobicContact CB-CE2 3.37Å; K252-F260 HydrophobicContact CB-CZ 3.5Å; K252-F260 VanDerWaalsContact CB-CZ 3.5Å; K252-F260 HydrophobicContact CD-CE1 4.05Å; K252-F260 HydrophobicContact CD-CE2 4.25Å; K252-F260 HydrophobicContact CD-CZ 3.51Å; K252-F260 HydrophobicContact CG-CE2 4.46Å; K252-F260 HydrophobicContact CG-CZ 4.14Å; R253-F260 HydrophobicContact CB-CD2 4.34Å; R253-F260 HydrophobicContact CB-CE2 4.1Å; E258-F260 VanDerWaalsContact C-N 3.29Å; E258-F260 PolarHBondContact O-N 3.2Å; F260-G262 PolarHBondContact O-N 2.96Å; F260-G262 VanDerWaalsContact O-N 3.13Å; F260-E263 PolarHBondContact O-N 3.39Å; F260-L266 HydrophobicContact CD1-CB 3.73Å; F260-L266 HydrophobicContact CD1-CD1 4.04Å; F260-L266 HydrophobicContact CE1-CB 4.18Å; F260-L266 HydrophobicContact CE1-CD1 3.76Å; F260-L266 HydrophobicContact CG-CB 4.35Å
261Q50.8Low66.4Low148 Ų14846.5 Ų46.569%0.69227%0.271SS*.THydrogen-bonded Turntrans-64.1-19.4-177-67.1178.9-3.100113.6
262G52.8Low66.6Low64 Ų6446.6 Ų46.666%0.6627%0.271SS*.THydrogen-bonded Turntrans-99.6-1.5178.500000116.2F260F260-G262 PolarHBondContact O-N 2.96Å; F260-G262 VanDerWaalsContact O-N 3.13Å
263E65.1Low67Low23 Ų2347 Ų4711%0.10728%0.277CS..  trans-124.793.4-170.6-70.1-177.6165.900112.1F260 A265 L266 S267 H280 R287F260-E263 PolarHBondContact O-N 3.39Å; E263-A265 PolarHBondContact O-N 3.5Å; E263-L266 PolarHBondContact O-N 2.86Å; E263-S267 PolarHBondContact O-N 3.34Å; E263-H280 IonicContact OE1-CD2 3.73Å; E263-H280 PolarHBondContact OE1-CD2 3.15Å; E263-H280 VanDerWaalsContact OE1-CD2 3.31Å; E263-H280 IonicContact OE1-NE2 2.99Å; E263-H280 PolarHBondContact OE1-NE2 2.88Å; E263-H280 IonicContact OE2-CD2 2.62Å; E263-H280 PolarHBondContact OE2-CD2 3.29Å; E263-H280 IonicContact OE2-NE2 3.8Å; E263-H280 PolarHBondContact OE2-NE2 3.05Å; E263-H280 VanDerWaalsContact OE2-NE2 3.09Å; E263-R287 IonicContact OE1-CZ 3.29Å; E263-R287 VanDerWaalsContact OE1-CZ 3.26Å; E263-R287 IonicContact OE1-NH1 2.71Å; E263-R287 PolarHBondContact OE1-NH1 2.66Å; E263-R287 IonicContact OE1-NH2 2.77Å; E263-R287 PolarHBondContact OE1-NH2 3.5Å
264P64.1Low67.5Low113 Ų11347.5 Ų47.573%0.73428%0.279SS*.THydrogen-bonded Turntrans-57.5-23.4-173.5-28.435.8000115.7L266 S267P264-L266 VanDerWaalsContact C-N 3.34Å; P264-S267 WeakPolarHBondContact CA-OG 3.44Å; P264-S267 PolarHBondContact O-OG 3.29Å
265A65Low68Low49 Ų4952.6 Ų52.641%0.40530%0.298SS..THydrogen-bonded Turntrans-75.8-19.7178.600000113.8E263E263-A265 PolarHBondContact O-N 3.5Å
266L72.7Confident68.7Low2 Ų252.5 Ų52.51%0.0130%0.301CS..THydrogen-bonded Turntrans-120.8-11.4-177.4-58.8-176.7000113Y249 F260 E263 P264 D268 I272 L277 H280Y249-L266 HydrophobicContact CD2-CB 4.24Å; Y249-L266 HydrophobicContact CE2-CB 3.99Å; Y249-L266 VanDerWaalsContact CE2-O 3.23Å; Y249-L266 WeakPolarHBondContact CE2-O 3.34Å; Y249-L266 PolarHBondContact OH-O 3.42Å; F260-L266 HydrophobicContact CD1-CB 3.73Å; F260-L266 HydrophobicContact CD1-CD1 4.04Å; F260-L266 HydrophobicContact CE1-CB 4.18Å; F260-L266 HydrophobicContact CE1-CD1 3.76Å; F260-L266 HydrophobicContact CG-CB 4.35Å; E263-L266 PolarHBondContact O-N 2.86Å; P264-L266 VanDerWaalsContact C-N 3.34Å; L266-D268 VanDerWaalsContact C-N 3.29Å; L266-D268 PolarHBondContact O-N 3.44Å; L266-I272 HydrophobicContact CD2-CD1 4.02Å; L266-I272 HydrophobicContact CD2-CG1 4.06Å; L266-I272 HydrophobicContact CD2-CG2 4.42Å; L266-L277 HydrophobicContact CD2-CD2 3.67Å; L266-L277 HydrophobicContact CD2-CG 4.48Å; L266-H280 HydrophobicContact CD1-CB 4.14Å
267S69.3Low69.9Low67 Ų6749.7 Ų49.747%0.46929%0.286SS..SBendtrans-64.3-27.8-179.761.10000114.3E263 P264E263-S267 PolarHBondContact O-N 3.34Å; P264-S267 WeakPolarHBondContact CA-OG 3.44Å; P264-S267 PolarHBondContact O-OG 3.29Å
268D75.4Confident71.5Confident51 Ų5149.6 Ų49.627%0.27329%0.286SS..  trans-112.8109.8169.9-174.4-3.9000110L266 L270 Q271L266-D268 VanDerWaalsContact C-N 3.29Å; L266-D268 PolarHBondContact O-N 3.44Å; D268-L270 PolarHBondContact O-N 2.76Å; D268-L270 VanDerWaalsContact O-N 3.13Å; D268-L270 VanDerWaalsContact OD1-CB 3.29Å; D268-L270 WeakPolarHBondContact OD1-CB 3.49Å; D268-L270 PolarHBondContact OD1-N 3.04Å; D268-Q271 HydrophobicContact CB-CB 4.3Å; D268-Q271 HydrophobicContact CB-CG 3.9Å; D268-Q271 PolarHBondContact O-N 3.3Å; D268-Q271 WeakPolarHBondContact OD2-CG 3.3Å
269P74.3Confident73.1Confident2 Ų248.6 Ų48.61%0.01329%0.291CS..G310 helixtrans-59.9-23177.4-6.613.1000113.5T181 Y249 Q271 M821T181-P269 HydrophobicContact CG2-CB 3.61Å; T181-P269 VanDerWaalsContact CG2-O 3.3Å; T181-P269 WeakPolarHBondContact CG2-O 3.47Å; T181-P269 PolarHBondContact OG1-O 2.92Å; T181-P269 VanDerWaalsContact OG1-O 3.08Å; Y249-P269 HydrophobicContact CE1-CB 4.13Å; Y249-P269 WeakPolarHBondContact OH-CA 3.37Å; Y249-P269 WeakPolarHBondContact OH-CB 3.5Å; Y249-P269 WeakPolarHBondContact OH-CG 3.38Å; P269-Q271 PolarHBondContact O-N 3.33Å; P269-M821 WeakPolarHBondContact CD-SD 3.3Å; P269-M821 HydrophobicContact CG-CE 3.84Å; P269-M821 HydrophobicContact CG-SD 3.39Å; P269-M821 WeakPolarHBondContact CG-SD 3.41Å
270L73.7Confident74.8Confident48 Ų4847 Ų4725%0.25128%0.275SS..G310 helixtrans-79.5-2.4177-53.6177.4000112.4Q155 K157 D268Q155-L270 WeakPolarHBondContact O-CD2 3.49Å; K157-L270 VanDerWaalsContact CD-O 3.23Å; K157-L270 WeakPolarHBondContact CD-O 3.33Å; K157-L270 WeakPolarHBondContact CE-O 3.48Å; K157-L270 PolarHBondContact NZ-O 3.22Å; D268-L270 PolarHBondContact O-N 2.76Å; D268-L270 VanDerWaalsContact O-N 3.13Å; D268-L270 VanDerWaalsContact OD1-CB 3.29Å; D268-L270 WeakPolarHBondContact OD1-CB 3.49Å; D268-L270 PolarHBondContact OD1-N 3.04Å
271Q77.2Confident76.6Confident89 Ų8947 Ų4742%0.41628%0.278SS..G310 helixtrans-121.36177.6-50.4-60-16.200113.3D268 P269 T273D268-Q271 HydrophobicContact CB-CB 4.3Å; D268-Q271 HydrophobicContact CB-CG 3.9Å; D268-Q271 PolarHBondContact O-N 3.3Å; D268-Q271 WeakPolarHBondContact OD2-CG 3.3Å; P269-Q271 PolarHBondContact O-N 3.33Å; Q271-T273 PolarHBondContact O-N 3.13Å
272I84.4Confident78.4Confident7 Ų745 Ų454%0.03627%0.267CS..  trans-64.5129.1176.4-65.7-177.1000109.6V159 T181 L246 Y249 L266 L277V159-I272 HydrophobicContact CG2-CG2 4.22Å; T181-I272 HydrophobicContact CG2-CD1 4.42Å; L246-I272 HydrophobicContact CD2-CG2 4.43Å; Y249-I272 HydrophobicContact CD1-CD1 3.75Å; Y249-I272 HydrophobicContact CD2-CD1 3.93Å; Y249-I272 HydrophobicContact CE1-CD1 3.38Å; Y249-I272 HydrophobicContact CE2-CD1 3.62Å; Y249-I272 HydrophobicContact CG-CD1 4Å; L266-I272 HydrophobicContact CD2-CD1 4.02Å; L266-I272 HydrophobicContact CD2-CG1 4.06Å; L266-I272 HydrophobicContact CD2-CG2 4.42Å; I272-L277 HydrophobicContact CG2-CD1 3.78Å; I272-L277 HydrophobicContact CG2-CD2 3.94Å; I272-L277 HydrophobicContact CG2-CG 3.79Å
273T86.3Confident80.2Confident46 Ų4642.1 Ų42.128%0.28224%0.237SC..  trans-128.6156.617857.90000109.9Q271 R275 G276 L277Q271-T273 PolarHBondContact O-N 3.13Å; T273-R275 VanDerWaalsContact C-N 3.3Å; T273-R275 PolarHBondContact O-N 3.26Å; T273-G276 PolarHBondContact O-N 2.93Å; T273-G276 PolarHBondContact OG1-N 3.43Å; T273-L277 PolarHBondContact O-N 2.97Å
274K87.2Confident81.2Confident27 Ų2743.1 Ų43.112%0.11724%0.242CC..Hα-helixtrans-49.4-51.2173.9-176.8-170.7175-171.30111.7E133 V159 E238 I242 G276 L277 E278E133-K274 WeakPolarHBondContact OE1-CB 3.43Å; V159-K274 HydrophobicContact CG1-CB 4.49Å; E238-K274 WeakPolarHBondContact OE1-CE 3.33Å; E238-K274 IonicContact OE1-NZ 3.17Å; E238-K274 PolarHBondContact OE1-NZ 3Å; I242-K274 HydrophobicContact CD1-CG 4.04Å; I242-K274 HydrophobicContact CG1-CG 4.45Å; K274-G276 VanDerWaalsContact C-N 3.32Å; K274-G276 PolarHBondContact O-N 3.31Å; K274-L277 PolarHBondContact O-N 3.46Å; K274-E278 VanDerWaalsContact CE-OE1 3.22Å; K274-E278 WeakPolarHBondContact CE-OE1 3.49Å; K274-E278 IonicContact NZ-OE1 3.41Å; K274-E278 WeakPolarHBondContact O-CG 3.08Å; K274-E278 PolarHBondContact O-N 3.1Å
275R84.6Confident82.3Confident112 Ų11243.5 Ų43.542%0.42323%0.234SC..Hα-helixtrans-62.2-35.1179-68.9-173.5175.7-174.66.7113.1L132 D134 T273 A279L132-R275 WeakPolarHBondContact O-CD 3.4Å; L132-R275 PolarHBondContact O-NE 3.05Å; L132-R275 PolarHBondContact O-NH1 2.79Å; L132-R275 PolarHBondContact O-NH2 3.33Å; D134-R275 IonicContact OD1-NH2 3.7Å; D134-R275 PolarHBondContact OD1-NH2 3.38Å; T273-R275 VanDerWaalsContact C-N 3.3Å; T273-R275 PolarHBondContact O-N 3.26Å; R275-A279 WeakPolarHBondContact O-CB 3.47Å; R275-A279 PolarHBondContact O-N 2.82Å
276G85.6Confident83.6Confident11 Ų1141.6 Ų41.611%0.11322%0.217CC..Hα-helixtrans-63-46.8173.300000112.5T273 K274 A279 H280T273-G276 PolarHBondContact O-N 2.93Å; T273-G276 PolarHBondContact OG1-N 3.43Å; K274-G276 VanDerWaalsContact C-N 3.32Å; K274-G276 PolarHBondContact O-N 3.31Å; G276-A279 PolarHBondContact O-N 3.43Å; G276-H280 WeakPolarHBondContact O-CB 3.41Å; G276-H280 PolarHBondContact O-N 3.06Å
277L89.1Confident84.4Confident0 Ų042.8 Ų42.80%022%0.221CC..Hα-helixtrans-64.5-40.8176.8-65.7164.4000112.1V159 I242 Q245 L246 L266 I272 T273 K274 H280 A281V159-L277 HydrophobicContact CG1-CD1 3.7Å; I242-L277 HydrophobicContact CD1-CB 4.02Å; I242-L277 HydrophobicContact CG2-CD1 4.14Å; Q245-L277 HydrophobicContact CB-CB 4.38Å; Q245-L277 HydrophobicContact CB-CD2 3.98Å; L246-L277 HydrophobicContact CD1-CD1 4.48Å; L246-L277 HydrophobicContact CD2-CD1 3.83Å; L246-L277 HydrophobicContact CG-CD1 3.91Å; L266-L277 HydrophobicContact CD2-CD2 3.67Å; L266-L277 HydrophobicContact CD2-CG 4.48Å; I272-L277 HydrophobicContact CG2-CD1 3.78Å; I272-L277 HydrophobicContact CG2-CD2 3.94Å; I272-L277 HydrophobicContact CG2-CG 3.79Å; T273-L277 PolarHBondContact O-N 2.97Å; K274-L277 PolarHBondContact O-N 3.46Å; L277-H280 PolarHBondContact O-N 3.45Å; L277-A281 WeakPolarHBondContact O-CB 3.35Å; L277-A281 PolarHBondContact O-N 3.09Å
278E87.9Confident85.3Confident48 Ų4842.4 Ų42.422%0.22422%0.221CC..Hα-helixtrans-63.6-42.3174.7-72.4-177.3-154.900113I242 K274 K282I242-E278 HydrophobicContact CD1-CG 3.93Å; K274-E278 VanDerWaalsContact CE-OE1 3.22Å; K274-E278 WeakPolarHBondContact CE-OE1 3.49Å; K274-E278 IonicContact NZ-OE1 3.41Å; K274-E278 WeakPolarHBondContact O-CG 3.08Å; K274-E278 PolarHBondContact O-N 3.1Å; E278-K282 WeakPolarHBondContact O-CB 3.42Å; E278-K282 VanDerWaalsContact O-CD 3.3Å; E278-K282 WeakPolarHBondContact O-CD 3.33Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 2.97Å; E278-K282 VanDerWaalsContact O-N 3.07Å; E278-K282 IonicContact OE2-NZ 3.15Å; E278-K282 PolarHBondContact OE2-NZ 3Å
279A86.5Confident85.8Confident53 Ų5343.4 Ų43.444%0.43822%0.223SC..Hα-helixtrans-64.8-44.1177.400000110.6R275 G276 K282 S283R275-A279 WeakPolarHBondContact O-CB 3.47Å; R275-A279 PolarHBondContact O-N 2.82Å; G276-A279 PolarHBondContact O-N 3.43Å; A279-K282 PolarHBondContact O-N 2.92Å; A279-S283 PolarHBondContact O-N 2.85Å; A279-S283 PolarHBondContact O-OG 2.98Å
280H87.4Confident86.5Confident11 Ų1143.7 Ų43.75%0.05122%0.224CC..Hα-helixtrans-60.2-47.5174.5173.6-104.6000112.2Q245 E263 L266 G276 L277 K282 S283 E284 R287Q245-H280 PolarHBondContact OE1-CE1 3.26Å; Q245-H280 PolarHBondContact OE1-ND1 2.93Å; E263-H280 IonicContact OE1-CD2 3.73Å; E263-H280 PolarHBondContact OE1-CD2 3.15Å; E263-H280 VanDerWaalsContact OE1-CD2 3.31Å; E263-H280 IonicContact OE1-NE2 2.99Å; E263-H280 PolarHBondContact OE1-NE2 2.88Å; E263-H280 IonicContact OE2-CD2 2.62Å; E263-H280 PolarHBondContact OE2-CD2 3.29Å; E263-H280 IonicContact OE2-NE2 3.8Å; E263-H280 PolarHBondContact OE2-NE2 3.05Å; E263-H280 VanDerWaalsContact OE2-NE2 3.09Å; L266-H280 HydrophobicContact CD1-CB 4.14Å; G276-H280 WeakPolarHBondContact O-CB 3.41Å; G276-H280 PolarHBondContact O-N 3.06Å; L277-H280 PolarHBondContact O-N 3.45Å; H280-K282 VanDerWaalsContact C-N 3.3Å; H280-K282 PolarHBondContact O-N 3.2Å; H280-S283 CarbonylContact O-C 3.49Å; H280-S283 WeakPolarHBondContact O-CA 3.14Å; H280-S283 WeakPolarHBondContact O-CB 3.5Å; H280-S283 PolarHBondContact O-N 2.84Å; H280-E284 IonicContact CE1-OE1 2.83Å; H280-E284 PolarHBondContact CE1-OE1 2.95Å; H280-E284 IonicContact CE1-OE2 2.71Å; H280-E284 PolarHBondContact CE1-OE2 2.7Å; H280-E284 VanDerWaalsContact CE1-OE2 3.31Å; H280-E284 IonicContact ND1-OE2 3.76Å; H280-E284 WeakPolarHBondContact NE2-CG 3.33Å; H280-E284 IonicContact NE2-OE1 3.52Å; H280-E284 PolarHBondContact O-N 2.97Å; H280-R287 PolarHBondContact NE2-NH2 3.37Å
281A88.7Confident87.1Confident15 Ų1544.5 Ų44.512%0.12422%0.224CC..Hα-helixtrans-59.6-38.9177.300000112.7V241 Q245 L277 E284 Q285V241-A281 HydrophobicContact CG1-CB 3.94Å; Q245-A281 HydrophobicContact CG-CB 4.07Å; L277-A281 WeakPolarHBondContact O-CB 3.35Å; L277-A281 PolarHBondContact O-N 3.09Å; A281-E284 PolarHBondContact O-N 2.86Å; A281-Q285 PolarHBondContact O-N 2.96Å
282K88.9Confident87.7Confident106 Ų10640.6 Ų40.646%0.46121%0.206SC..Hα-helixtrans-66.4-39.4173.9-69.2160.8-169.21580111.5E278 A279 H280 F286 L298E278-K282 WeakPolarHBondContact O-CB 3.42Å; E278-K282 VanDerWaalsContact O-CD 3.3Å; E278-K282 WeakPolarHBondContact O-CD 3.33Å; E278-K282 WeakPolarHBondContact O-CG 3.47Å; E278-K282 PolarHBondContact O-N 2.97Å; E278-K282 VanDerWaalsContact O-N 3.07Å; E278-K282 IonicContact OE2-NZ 3.15Å; E278-K282 PolarHBondContact OE2-NZ 3Å; A279-K282 PolarHBondContact O-N 2.92Å; H280-K282 VanDerWaalsContact C-N 3.3Å; H280-K282 PolarHBondContact O-N 3.2Å; K282-F286 VanDerWaalsContact O-CB 3.29Å; K282-F286 WeakPolarHBondContact O-CB 3.49Å; K282-F286 PolarHBondContact O-N 3.13Å; K282-L298 HydrophobicContact CB-CD2 4.17Å
283S90.6Very high87.8Confident5 Ų541 Ų414%0.03521%0.209CC..Hα-helixtrans-67.2-40.6172.7-740000113.2A279 H280 F286 R287 N297 L298A279-S283 PolarHBondContact O-N 2.85Å; A279-S283 PolarHBondContact O-OG 2.98Å; H280-S283 CarbonylContact O-C 3.49Å; H280-S283 WeakPolarHBondContact O-CA 3.14Å; H280-S283 WeakPolarHBondContact O-CB 3.5Å; H280-S283 PolarHBondContact O-N 2.84Å; S283-F286 PolarHBondContact O-N 2.71Å; S283-R287 WeakPolarHBondContact O-CB 3.19Å; S283-R287 VanDerWaalsContact O-CG 3.29Å; S283-R287 WeakPolarHBondContact O-CG 3.34Å; S283-R287 PolarHBondContact O-N 2.85Å; S283-R287 PolarHBondContact O-NE 2.93Å; S283-N297 PolarHBondContact OG-OD1 2.91Å; S283-L298 PolarHBondContact OG-N 3.15Å
284E86.9Confident87.5Confident43 Ų4343.8 Ų43.820%0.20122%0.217CC..Hα-helixtrans-59.6-49.4171.9-82.4-171.3141.600110.9Q245 K252 H280 A281 F286 R287 A288Q245-E284 PolarHBondContact NE2-OE2 3.19Å; K252-E284 IonicContact NZ-OE1 2.97Å; K252-E284 PolarHBondContact NZ-OE1 2.87Å; H280-E284 IonicContact CE1-OE1 2.83Å; H280-E284 PolarHBondContact CE1-OE1 2.95Å; H280-E284 IonicContact CE1-OE2 2.71Å; H280-E284 PolarHBondContact CE1-OE2 2.7Å; H280-E284 VanDerWaalsContact CE1-OE2 3.31Å; H280-E284 IonicContact ND1-OE2 3.76Å; H280-E284 WeakPolarHBondContact NE2-CG 3.33Å; H280-E284 IonicContact NE2-OE1 3.52Å; H280-E284 PolarHBondContact O-N 2.97Å; A281-E284 PolarHBondContact O-N 2.86Å; E284-F286 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 3.43Å; E284-R287 VanDerWaalsContact CG-NH2 3.29Å; E284-R287 PolarHBondContact O-N 2.85Å; E284-A288 VanDerWaalsContact O-CB 3.3Å; E284-A288 WeakPolarHBondContact O-CB 2.99Å; E284-A288 PolarHBondContact O-N 2.93Å
285Q87.6Confident87.4Confident122 Ų12249 Ų4957%0.5724%0.242SC*.Hα-helixtrans-61.3-41.4178.8-170.9-179.813.900112.1A281 F289A281-Q285 PolarHBondContact O-N 2.96Å; Q285-F289 VanDerWaalsContact O-CB 3.32Å; Q285-F289 WeakPolarHBondContact O-CB 3.35Å; Q285-F289 PolarHBondContact O-N 2.85Å
286F91.1Very high87.6Confident9 Ų944.1 Ų44.14%0.03922%0.224CC..Hα-helixtrans-63.5-49.4175.9166.9-106.4000112.4K282 S283 E284 A288 F289 F290 L292 L298 C320 C327K282-F286 VanDerWaalsContact O-CB 3.29Å; K282-F286 WeakPolarHBondContact O-CB 3.49Å; K282-F286 PolarHBondContact O-N 3.13Å; S283-F286 PolarHBondContact O-N 2.71Å; E284-F286 VanDerWaalsContact C-N 3.33Å; E284-F286 PolarHBondContact O-N 3.43Å; F286-A288 PolarHBondContact O-N 3.08Å; F286-F289 PolarHBondContact O-N 3.28Å; F286-F290 AromaticContact CD2-CD2 3.46Å; F286-F290 HydrophobicContact CD2-CD2 3.46Å; F286-F290 VanDerWaalsContact CD2-CD2 3.46Å; F286-F290 AromaticContact CD2-CE2 3.7Å; F286-F290 HydrophobicContact CD2-CE2 3.7Å; F286-F290 AromaticContact CE2-CD2 3.49Å; F286-F290 HydrophobicContact CE2-CD2 3.49Å; F286-F290 VanDerWaalsContact CE2-CD2 3.49Å; F286-F290 AromaticContact CE2-CE2 3.77Å; F286-F290 HydrophobicContact CE2-CE2 3.77Å; F286-F290 HydrophobicContact CE2-CG 4.48Å; F286-F290 HydrophobicContact CG-CD2 4.47Å; F286-F290 PolarHBondContact O-N 2.85Å; F286-F290 VanDerWaalsContact O-N 3.16Å; F286-L292 HydrophobicContact CD1-CD1 4.26Å; F286-L292 HydrophobicContact CE1-CD1 3.4Å; F286-L292 HydrophobicContact CE2-CD1 3.97Å; F286-L292 HydrophobicContact CZ-CD1 3.23Å; F286-L298 HydrophobicContact CB-CB 4.14Å; F286-L298 HydrophobicContact CB-CD1 4.32Å; F286-L298 HydrophobicContact CB-CD2 4.21Å; F286-L298 HydrophobicContact CB-CG 4.47Å; F286-L298 HydrophobicContact CD1-CB 3.97Å; F286-L298 HydrophobicContact CD1-CD1 4.22Å; F286-L298 HydrophobicContact CD2-CD1 3.77Å; F286-L298 HydrophobicContact CE2-CD1 4.11Å; F286-L298 HydrophobicContact CG-CB 4.07Å; F286-L298 HydrophobicContact CG-CD1 3.83Å; F286-L298 HydrophobicContact CG-CG 4.39Å; F286-L298 HydrophobicContact CZ-CD1 4.45Å; F286-C320 HydrophobicContact CD2-CB 3.74Å; F286-C320 HydrophobicContact CE2-CB 3.45Å; F286-C320 VanDerWaalsContact CE2-CB 3.45Å; F286-C327 HydrophobicContact CE2-CB 4.18Å
287R90.5Very high87.8Confident27 Ų2746.3 Ų46.310%0.10223%0.233CC..Hα-helixtrans-57.9-46.2175.7-76.3178.2-70.8-171.3-0.6111.4E263 H280 S283 E284 R291 L292 K294 E296E263-R287 IonicContact OE1-CZ 3.29Å; E263-R287 VanDerWaalsContact OE1-CZ 3.26Å; E263-R287 IonicContact OE1-NH1 2.71Å; E263-R287 PolarHBondContact OE1-NH1 2.66Å; E263-R287 IonicContact OE1-NH2 2.77Å; E263-R287 PolarHBondContact OE1-NH2 3.5Å; H280-R287 PolarHBondContact NE2-NH2 3.37Å; S283-R287 WeakPolarHBondContact O-CB 3.19Å; S283-R287 VanDerWaalsContact O-CG 3.29Å; S283-R287 WeakPolarHBondContact O-CG 3.34Å; S283-R287 PolarHBondContact O-N 2.85Å; S283-R287 PolarHBondContact O-NE 2.93Å; E284-R287 VanDerWaalsContact CG-NH2 3.29Å; E284-R287 PolarHBondContact O-N 2.85Å; R287-R291 CarbonylContact O-C 3.48Å; R287-R291 WeakPolarHBondContact O-CA 3.44Å; R287-R291 PolarHBondContact O-N 3.44Å; R287-L292 PolarHBondContact O-N 3.17Å; R287-K294 PolarHBondContact NH1-O 2.89Å; R287-E296 WeakPolarHBondContact CD-O 3.44Å; R287-E296 WeakPolarHBondContact CG-O 3.25Å
288A86.6Confident87.9Confident58 Ų5848.2 Ų48.248%0.47924%0.243SC..Hα-helixtrans-65.7-45.5-179.200000112.6E284 F286 R291E284-A288 VanDerWaalsContact O-CB 3.3Å; E284-A288 WeakPolarHBondContact O-CB 2.99Å; E284-A288 PolarHBondContact O-N 2.93Å; F286-A288 PolarHBondContact O-N 3.08Å; A288-R291 PolarHBondContact O-N 3.47Å
289F87.4Confident88.1Confident72 Ų7249.9 Ų49.932%0.31625%0.253SS..Hα-helixtrans-64.2-45.9-178.5-175.6-84000112.5Q285 F286 A329 H337Q285-F289 VanDerWaalsContact O-CB 3.32Å; Q285-F289 WeakPolarHBondContact O-CB 3.35Å; Q285-F289 PolarHBondContact O-N 2.85Å; F286-F289 PolarHBondContact O-N 3.28Å; F289-A329 HydrophobicContact CD1-CB 4.48Å; F289-A329 HydrophobicContact CE1-CB 3.61Å; F289-A329 HydrophobicContact CZ-CB 3.93Å; F289-H337 HydrophobicContact CE1-CB 4.29Å
290F88.9Confident88.3Confident8 Ų848.4 Ų48.44%0.03524%0.237CC..Hα-helixtrans-932.8-179.2-66.6-70.2000113.8F286 L292 C320 C327 A329 H337 I339F286-F290 AromaticContact CD2-CD2 3.46Å; F286-F290 HydrophobicContact CD2-CD2 3.46Å; F286-F290 VanDerWaalsContact CD2-CD2 3.46Å; F286-F290 AromaticContact CD2-CE2 3.7Å; F286-F290 HydrophobicContact CD2-CE2 3.7Å; F286-F290 AromaticContact CE2-CD2 3.49Å; F286-F290 HydrophobicContact CE2-CD2 3.49Å; F286-F290 VanDerWaalsContact CE2-CD2 3.49Å; F286-F290 AromaticContact CE2-CE2 3.77Å; F286-F290 HydrophobicContact CE2-CE2 3.77Å; F286-F290 HydrophobicContact CE2-CG 4.48Å; F286-F290 HydrophobicContact CG-CD2 4.47Å; F286-F290 PolarHBondContact O-N 2.85Å; F286-F290 VanDerWaalsContact O-N 3.16Å; F290-L292 VanDerWaalsContact C-N 3.3Å; F290-L292 HydrophobicContact CB-CD1 3.96Å; F290-L292 HydrophobicContact CB-CD2 4.26Å; F290-L292 HydrophobicContact CB-CG 3.73Å; F290-L292 PolarHBondContact O-N 3.39Å; F290-C320 HydrophobicContact CE2-CB 4.11Å; F290-C327 HydrophobicContact CD1-CB 3.85Å; F290-C327 HydrophobicContact CD2-CB 3.95Å; F290-C327 HydrophobicContact CE1-CB 3.64Å; F290-C327 HydrophobicContact CE2-CB 3.75Å; F290-C327 HydrophobicContact CG-CB 3.98Å; F290-C327 HydrophobicContact CZ-CB 3.58Å; F290-A329 HydrophobicContact CE1-CB 4.12Å; F290-A329 HydrophobicContact CZ-CB 3.69Å; F290-H337 HydrophobicContact CE1-CB 4.27Å; F290-I339 HydrophobicContact CB-CD1 4.21Å; F290-I339 HydrophobicContact CB-CG1 4.15Å; F290-I339 HydrophobicContact CD1-CD1 4.26Å; F290-I339 HydrophobicContact CD1-CG1 3.69Å; F290-I339 HydrophobicContact CG-CG1 4.33Å; F290-I339 VanDerWaalsContact O-CD1 3.22Å; F290-I339 WeakPolarHBondContact O-CD1 3.38Å
291R85.8Confident88.5Confident65 Ų6551.3 Ų51.325%0.24526%0.256CS..THydrogen-bonded Turntrans47.947.1-174.4-57.7-173-173.613710.8113.6R287 A288 R604 F674 Y675 D676R287-R291 CarbonylContact O-C 3.48Å; R287-R291 WeakPolarHBondContact O-CA 3.44Å; R287-R291 PolarHBondContact O-N 3.44Å; A288-R291 PolarHBondContact O-N 3.47Å; R291-R604 WeakPolarHBondContact O-CD 3.16Å; R291-R604 PolarHBondContact O-NH1 2.94Å; R291-F674 PolarHBondContact NH1-O 3.46Å; R291-Y675 VanDerWaalsContact CZ-O 3.24Å; R291-Y675 PolarHBondContact NH1-O 3.46Å; R291-Y675 PolarHBondContact NH2-O 3.26Å; R291-D676 PolarHBondContact NH2-O 2.81Å
292L89.1Confident88.7Confident7 Ų751.5 Ų51.54%0.03725%0.254CS..  trans-84.9157.7-179-60.4176.6000112.1F286 R287 F290 E296 Y325 I339 R604F286-L292 HydrophobicContact CD1-CD1 4.26Å; F286-L292 HydrophobicContact CE1-CD1 3.4Å; F286-L292 HydrophobicContact CE2-CD1 3.97Å; F286-L292 HydrophobicContact CZ-CD1 3.23Å; R287-L292 PolarHBondContact O-N 3.17Å; F290-L292 VanDerWaalsContact C-N 3.3Å; F290-L292 HydrophobicContact CB-CD1 3.96Å; F290-L292 HydrophobicContact CB-CD2 4.26Å; F290-L292 HydrophobicContact CB-CG 3.73Å; F290-L292 PolarHBondContact O-N 3.39Å; L292-E296 HydrophobicContact CB-CB 4.1Å; L292-E296 HydrophobicContact CB-CG 4.19Å; L292-Y325 HydrophobicContact CD1-CD2 4.42Å; L292-Y325 HydrophobicContact CD1-CG 4.39Å; L292-Y325 HydrophobicContact CD2-CD1 3.76Å; L292-Y325 HydrophobicContact CD2-CD2 3.96Å; L292-Y325 HydrophobicContact CD2-CE1 3.94Å; L292-Y325 HydrophobicContact CD2-CE2 4.15Å; L292-Y325 HydrophobicContact CD2-CG 3.77Å; L292-I339 HydrophobicContact CD2-CG2 3.84Å; L292-R604 WeakPolarHBondContact O-CD 3.27Å
293P86.5Confident88.9Confident15 Ų1551.4 Ų51.410%0.09726%0.255CS..  trans-50.7154.8173.6-27.936.7000113.2E295 E296 Y325 D509P293-E295 WeakPolarHBondContact CB-OE2 3.43Å; P293-E295 PolarHBondContact O-N 3.42Å; P293-E295 VanDerWaalsContact O-N 3.15Å; P293-E296 HydrophobicContact CB-CG 4.42Å; P293-E296 PolarHBondContact O-N 2.73Å; P293-E296 VanDerWaalsContact O-N 3.16Å; P293-Y325 HydrophobicContact CG-CE2 4.44Å; P293-D509 WeakPolarHBondContact CG-OD1 3.26Å
294K81.2Confident89.1Confident105 Ų10551.2 Ų51.246%0.45725%0.254SS..THydrogen-bonded Turntrans-64.2-23-174.7-80.7174.5167.7161.90112.4R287 E296 E603R287-K294 PolarHBondContact NH1-O 2.89Å; K294-E296 VanDerWaalsContact C-N 3.33Å; K294-E603 WeakPolarHBondContact CE-O 3.35Å; K294-E603 PolarHBondContact NZ-O 2.76Å
295E84.4Confident89.3Confident138 Ų13852.7 Ų52.765%0.64526%0.26SS*.THydrogen-bonded Turntrans-77-21.2-177.6-56.866.2-14200111.9P293 N297P293-E295 WeakPolarHBondContact CB-OE2 3.43Å; P293-E295 PolarHBondContact O-N 3.42Å; P293-E295 VanDerWaalsContact O-N 3.15Å; E295-N297 PolarHBondContact O-N 3.02Å; E295-N297 PolarHBondContact O-ND2 2.88Å; E295-N297 VanDerWaalsContact O-ND2 3.12Å
296E88.3Confident89.6Confident9 Ų946.9 Ų46.94%0.04223%0.233CC..  trans-75.1113.8-176.1-67.4-59.1134.100112.3R287 L292 P293 K294 S322 E323 N324 Y325R287-E296 WeakPolarHBondContact CD-O 3.44Å; R287-E296 WeakPolarHBondContact CG-O 3.25Å; L292-E296 HydrophobicContact CB-CB 4.1Å; L292-E296 HydrophobicContact CB-CG 4.19Å; P293-E296 HydrophobicContact CB-CG 4.42Å; P293-E296 PolarHBondContact O-N 2.73Å; P293-E296 VanDerWaalsContact O-N 3.16Å; K294-E296 VanDerWaalsContact C-N 3.33Å; E296-S322 WeakPolarHBondContact OE2-CB 3.46Å; E296-S322 PolarHBondContact OE2-OG 3.09Å; E296-E323 PolarHBondContact OE2-N 3.29Å; E296-N324 WeakPolarHBondContact OE1-CB 3.42Å; E296-N324 PolarHBondContact OE1-ND2 2.86Å; E296-N324 PolarHBondContact OE2-N 2.93Å; E296-N324 VanDerWaalsContact OE2-N 3.07Å; E296-Y325 HydrophobicContact CG-CD2 3.75Å; E296-Y325 HydrophobicContact CG-CE2 3.78Å
297N89.8Confident89.5Confident56 Ų5650.6 Ų50.630%0.29925%0.246SC..  trans-102.9144.9175.4-79.1-87.6000111.2S283 E295 L299 S322S283-N297 PolarHBondContact OG-OD1 2.91Å; E295-N297 PolarHBondContact O-N 3.02Å; E295-N297 PolarHBondContact O-ND2 2.88Å; E295-N297 VanDerWaalsContact O-ND2 3.12Å; N297-L299 PolarHBondContact O-N 3.21Å; N297-S322 WeakPolarHBondContact O-CA 3.48Å; N297-S322 WeakPolarHBondContact O-CB 3.12Å
298L92.8Very high89.3Confident41 Ų4149.4 Ų49.422%0.21524%0.242CC..  trans-75.3117.7178.2-178.764.9000110.3K282 S283 F286 V301 C320K282-L298 HydrophobicContact CB-CD2 4.17Å; S283-L298 PolarHBondContact OG-N 3.15Å; F286-L298 HydrophobicContact CB-CB 4.14Å; F286-L298 HydrophobicContact CB-CD1 4.32Å; F286-L298 HydrophobicContact CB-CD2 4.21Å; F286-L298 HydrophobicContact CB-CG 4.47Å; F286-L298 HydrophobicContact CD1-CB 3.97Å; F286-L298 HydrophobicContact CD1-CD1 4.22Å; F286-L298 HydrophobicContact CD2-CD1 3.77Å; F286-L298 HydrophobicContact CE2-CD1 4.11Å; F286-L298 HydrophobicContact CG-CB 4.07Å; F286-L298 HydrophobicContact CG-CD1 3.83Å; F286-L298 HydrophobicContact CG-CG 4.39Å; F286-L298 HydrophobicContact CZ-CD1 4.45Å; L298-V301 HydrophobicContact CD1-CG2 3.8Å; L298-V301 HydrophobicContact CD2-CG2 3.7Å; L298-V301 HydrophobicContact CG-CG2 4.03Å; L298-C320 HydrophobicContact CD1-CB 3.91Å
299L90.4Very high89Confident82 Ų8249.3 Ų49.343%0.42924%0.237SC..  trans-98.3-48.5-176.2-59.8179.2000112.8N297 L321 E323N297-L299 PolarHBondContact O-N 3.21Å; L299-L321 PolarHBondContact N-O 3.24Å; L299-E323 HydrophobicContact CD1-CB 4.45Å; L299-E323 WeakPolarHBondContact CD1-OE2 3.28Å
300E90.9Very high88.6Confident23 Ų2348.2 Ų48.211%0.10723%0.232CC..EExtended strand (participates in β ladder)trans-141.9144.4-178.8-60.3-169.8175.800111.1H302 L321 R378E300-H302 IonicContact OE2-CD2 2.62Å; E300-H302 IonicContact OE2-CE1 2.58Å; E300-H302 IonicContact OE2-NE2 3.41Å; E300-H302 PolarHBondContact OE2-NE2 3.49Å; E300-L321 HydrophobicContact CB-CB 4.31Å; E300-L321 PolarHBondContact N-O 3.47Å; E300-L321 PolarHBondContact O-N 2.99Å; E300-R378 IonicContact OE1-CZ 2.76Å; E300-R378 IonicContact OE1-NE 3.66Å; E300-R378 PolarHBondContact OE1-NE 3.47Å; E300-R378 IonicContact OE1-NH2 2.73Å; E300-R378 PolarHBondContact OE1-NH2 3.38Å; E300-R378 IonicContact OE2-NE 3.89Å
301V92.7Very high88.1Confident72 Ų7249.8 Ų49.844%0.43624%0.244SC..EExtended strand (participates in β ladder)trans-126.8127.4172.3179.70000108.8L298 K318 I319L298-V301 HydrophobicContact CD1-CG2 3.8Å; L298-V301 HydrophobicContact CD2-CG2 3.7Å; L298-V301 HydrophobicContact CG-CG2 4.03Å; V301-K318 HydrophobicContact CG1-CB 4.18Å; V301-K318 HydrophobicContact CG1-CD 4.06Å; V301-K318 HydrophobicContact CG1-CG 4.32Å; V301-I319 CarbonylContact C-O 3.52Å; V301-I319 WeakPolarHBondContact CA-O 3.42Å
302H92.6Very high88Confident19 Ų1953.4 Ų53.49%0.08826%0.263CS..EExtended strand (participates in β ladder)trans-128.8124179.6-63.6-89.2000110.6E300 K318 I319 V373 R374 L379E300-H302 IonicContact OE2-CD2 2.62Å; E300-H302 IonicContact OE2-CE1 2.58Å; E300-H302 IonicContact OE2-NE2 3.41Å; E300-H302 PolarHBondContact OE2-NE2 3.49Å; H302-K318 CarbonylContact O-C 2.82Å; H302-K318 WeakPolarHBondContact O-CA 3.47Å; H302-I319 HydrophobicContact CB-CB 4.42Å; H302-I319 PolarHBondContact N-O 3.02Å; H302-I319 PolarHBondContact O-N 3.37Å; H302-V373 HydrophobicContact CB-CG1 4.16Å; H302-R374 PolarHBondContact ND1-O 2.81Å; H302-L379 HydrophobicContact CB-CD2 4.39Å
303E93.6Very high87.9Confident104 Ų10457.9 Ų57.949%0.48628%0.283SS..EExtended strand (participates in β ladder)trans-66.2137.2168.8-62-175.6137.800109.7R374E303-R374 IonicContact OE2-NH2 3.16Å
304S93.4Very high87.9Confident1 Ų160.8 Ų60.81%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-161.3167.5-178.968.60000112.4G317 I319S304-G317 PolarHBondContact N-O 2.62Å; S304-G317 PolarHBondContact O-N 3.31Å; S304-I319 WeakPolarHBondContact OG-CD1 3.27Å; S304-I319 WeakPolarHBondContact OG-CG1 3.49Å
305F92.8Very high88.3Confident73 Ų7356 Ų5632%0.3228%0.277SS..EExtended strand (participates in β ladder)trans-107.1120.6165.9-69-98.1000110.4N314 T315 L316 F370 S371 E372F305-N314 HydrophobicContact CB-CB 4.02Å; F305-N314 HydrophobicContact CD1-CB 4.12Å; F305-N314 HydrophobicContact CG-CB 4.48Å; F305-T315 WeakPolarHBondContact CA-O 3.18Å; F305-L316 HydrophobicContact CD1-CB 3.97Å; F305-L316 HydrophobicContact CD1-CD1 4.36Å; F305-L316 HydrophobicContact CD2-CD1 4.2Å; F305-L316 HydrophobicContact CE1-CB 3.68Å; F305-L316 HydrophobicContact CE1-CD1 4.02Å; F305-L316 HydrophobicContact CE1-CD2 4.47Å; F305-L316 HydrophobicContact CE1-CG 4.26Å; F305-L316 HydrophobicContact CE2-CD1 3.84Å; F305-L316 HydrophobicContact CG-CD1 4.45Å; F305-L316 HydrophobicContact CZ-CB 4.23Å; F305-L316 HydrophobicContact CZ-CD1 3.75Å; F305-L316 HydrophobicContact CZ-CD2 4.3Å; F305-L316 HydrophobicContact CZ-CG 4.31Å; F305-F370 CarbonylContact O-C 3.57Å; F305-F370 VanDerWaalsContact O-CA 3.3Å; F305-F370 WeakPolarHBondContact O-CA 3.27Å; F305-S371 WeakPolarHBondContact CB-OG 3.22Å; F305-S371 PolarHBondContact N-O 3.06Å; F305-S371 PolarHBondContact O-N 3.48Å; F305-S371 PolarHBondContact O-OG 2.9Å; F305-E372 HydrophobicContact CD2-CB 4.14Å; F305-E372 HydrophobicContact CE2-CB 4.48Å
306L92.6Very high88.7Confident0 Ų052.5 Ų52.50%026%0.262CS..EExtended strand (participates in β ladder)trans-88.1128.1171.9171.964.8000110V308 N314 T315 F328 I338 L368 F370 F478L306-V308 HydrophobicContact CD2-CG2 4.46Å; L306-V308 HydrophobicContact CG-CG2 4.39Å; L306-V308 PolarHBondContact O-N 2.74Å; L306-N314 CarbonylContact O-C 3.54Å; L306-N314 WeakPolarHBondContact O-CA 3.3Å; L306-T315 PolarHBondContact N-O 3.38Å; L306-T315 PolarHBondContact O-N 3.34Å; L306-F328 HydrophobicContact CB-CD1 4.18Å; L306-F328 HydrophobicContact CB-CD2 4.22Å; L306-F328 HydrophobicContact CB-CE1 3.73Å; L306-F328 HydrophobicContact CB-CE2 3.76Å; L306-F328 HydrophobicContact CB-CG 4.41Å; L306-F328 HydrophobicContact CB-CZ 3.5Å; L306-F328 VanDerWaalsContact CB-CZ 3.5Å; L306-F328 HydrophobicContact CD2-CD1 3.49Å; L306-F328 VanDerWaalsContact CD2-CD1 3.49Å; L306-F328 HydrophobicContact CD2-CE1 3.64Å; L306-F328 HydrophobicContact CD2-CG 4.04Å; L306-F328 HydrophobicContact CD2-CZ 4.3Å; L306-F328 HydrophobicContact CG-CD1 4.47Å; L306-F328 HydrophobicContact CG-CE1 4.34Å; L306-I338 HydrophobicContact CD2-CD1 3.6Å; L306-I338 HydrophobicContact CD2-CG1 4.44Å; L306-L368 HydrophobicContact CD1-CB 4.18Å; L306-L368 HydrophobicContact CD1-CD2 4.41Å; L306-F370 HydrophobicContact CB-CD1 4.15Å; L306-F370 HydrophobicContact CB-CE1 4.17Å; L306-F370 HydrophobicContact CD1-CD1 4.05Å; L306-F370 HydrophobicContact CD1-CE1 3.74Å; L306-F370 HydrophobicContact CD1-CZ 4.1Å; L306-F370 HydrophobicContact CG-CE1 4.39Å; L306-F478 HydrophobicContact CD2-CE1 4.14Å
307W89.9Confident89Confident87 Ų8752.3 Ų52.333%0.3326%0.262SS..EExtended strand (participates in β ladder)trans-70.1117.9166.9176.1-99.8000110.4P309 H312 N314 R369W307-P309 WeakPolarHBondContact O-CD 3.39Å; W307-H312 HydrophobicContact CH2-CB 4.05Å; W307-H312 WeakPolarHBondContact CH2-O 3.42Å; W307-H312 HydrophobicContact CZ2-CB 4.3Å; W307-H312 WeakPolarHBondContact CZ3-O 3.22Å; W307-N314 WeakPolarHBondContact CA-OD1 3.35Å; W307-R369 HydrophobicContact CB-CB 4.09Å; W307-R369 PolarHBondContact N-O 2.94Å
308V85.3Confident89.2Confident2 Ų254.8 Ų54.81%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-98.1111.4-179.8177.40000109.5L306 F310 S311 H312 F313 T315 F478L306-V308 HydrophobicContact CD2-CG2 4.46Å; L306-V308 HydrophobicContact CG-CG2 4.39Å; L306-V308 PolarHBondContact O-N 2.74Å; V308-F310 VanDerWaalsContact C-N 3.34Å; V308-F310 HydrophobicContact CG1-CD1 4.03Å; V308-F310 HydrophobicContact CG1-CD2 3.71Å; V308-F310 HydrophobicContact CG1-CE1 3.57Å; V308-F310 HydrophobicContact CG1-CE2 3.19Å; V308-F310 HydrophobicContact CG1-CG 4.09Å; V308-F310 HydrophobicContact CG1-CZ 3.12Å; V308-F310 PolarHBondContact O-N 2.95Å; V308-S311 WeakPolarHBondContact CB-OG 3.43Å; V308-S311 WeakPolarHBondContact CG1-OG 3.42Å; V308-S311 PolarHBondContact O-N 2.83Å; V308-H312 PolarHBondContact O-N 2.94Å; V308-H312 VanDerWaalsContact O-N 3.15Å; V308-F313 PolarHBondContact N-O 2.94Å; V308-T315 VanDerWaalsContact CG2-OG1 3.32Å; V308-T315 WeakPolarHBondContact CG2-OG1 3.47Å; V308-F478 HydrophobicContact CG1-CD1 4.47Å; V308-F478 HydrophobicContact CG1-CE1 4.39Å; V308-F478 HydrophobicContact CG2-CE1 4.45Å
309P80.4Confident89.3Confident57 Ų5752.8 Ų52.837%0.3726%0.26SS..THydrogen-bonded Turntrans-61.6-36.1-166.4-26.535.3000115.2W307 H312 F478W307-P309 WeakPolarHBondContact O-CD 3.39Å; P309-H312 PolarHBondContact O-CE1 2.84Å; P309-F478 HydrophobicContact CG-CZ 4.15Å
310F80.2Confident89.5Confident49 Ų4949.5 Ų49.522%0.21524%0.244CC..THydrogen-bonded Turntrans-84.9-20.6-173.849-100.7000114.3V308 E470 Y471 F478 T480V308-F310 VanDerWaalsContact C-N 3.34Å; V308-F310 HydrophobicContact CG1-CD1 4.03Å; V308-F310 HydrophobicContact CG1-CD2 3.71Å; V308-F310 HydrophobicContact CG1-CE1 3.57Å; V308-F310 HydrophobicContact CG1-CE2 3.19Å; V308-F310 HydrophobicContact CG1-CG 4.09Å; V308-F310 HydrophobicContact CG1-CZ 3.12Å; V308-F310 PolarHBondContact O-N 2.95Å; F310-E470 HydrophobicContact CB-CG 3.38Å; F310-E470 HydrophobicContact CG-CG 4.1Å; F310-Y471 AromaticContact CD1-CD1 3.8Å; F310-Y471 HydrophobicContact CD1-CD1 3.8Å; F310-Y471 AromaticContact CD1-CE1 3.76Å; F310-Y471 HydrophobicContact CD1-CE1 3.76Å; F310-Y471 HydrophobicContact CD1-CG 4.4Å; F310-Y471 HydrophobicContact CD2-CD1 4.46Å; F310-Y471 AromaticContact CD2-CE1 3.61Å; F310-Y471 HydrophobicContact CD2-CE1 3.61Å; F310-Y471 AromaticContact CD2-CZ 3.87Å; F310-Y471 AromaticContact CE1-CD1 3.37Å; F310-Y471 HydrophobicContact CE1-CD1 3.37Å; F310-Y471 AromaticContact CE1-CE1 3.47Å; F310-Y471 HydrophobicContact CE1-CE1 3.47Å; F310-Y471 VanDerWaalsContact CE1-CE1 3.47Å; F310-Y471 HydrophobicContact CE1-CG 4.29Å; F310-Y471 HydrophobicContact CE2-CD1 4.11Å; F310-Y471 AromaticContact CE2-CE1 3.32Å; F310-Y471 HydrophobicContact CE2-CE1 3.32Å; F310-Y471 HydrophobicContact CG-CD1 4.33Å; F310-Y471 AromaticContact CG-CE1 3.83Å; F310-Y471 HydrophobicContact CG-CE1 3.83Å; F310-Y471 AromaticContact CZ-CD1 3.54Å; F310-Y471 HydrophobicContact CZ-CD1 3.54Å; F310-Y471 AromaticContact CZ-CE1 3.24Å; F310-Y471 HydrophobicContact CZ-CE1 3.24Å; F310-F478 HydrophobicContact CE1-CB 3.88Å; F310-F478 AromaticContact CE1-CD1 3.55Å; F310-F478 HydrophobicContact CE1-CD1 3.55Å; F310-F478 HydrophobicContact CE1-CE1 4.22Å; F310-F478 AromaticContact CE1-CG 3.81Å; F310-F478 HydrophobicContact CE1-CG 3.81Å; F310-F478 HydrophobicContact CZ-CB 4.31Å; F310-F478 AromaticContact CZ-CD1 3.96Å; F310-F478 HydrophobicContact CZ-CD1 3.96Å; F310-F478 HydrophobicContact CZ-CG 4.45Å; F310-T480 HydrophobicContact CZ-CG2 4.01Å
311S77.9Confident89.7Confident40 Ų4048.5 Ų48.528%0.2824%0.239SC..THydrogen-bonded Turntrans-102.1-8.5177.270.30000113.3V308 F313V308-S311 WeakPolarHBondContact CB-OG 3.43Å; V308-S311 WeakPolarHBondContact CG1-OG 3.42Å; V308-S311 PolarHBondContact O-N 2.83Å; S311-F313 VanDerWaalsContact CB-CD1 3.45Å; S311-F313 WeakPolarHBondContact O-CD1 3.42Å; S311-F313 PolarHBondContact O-N 3.27Å; S311-F313 VanDerWaalsContact OG-CD1 3.23Å; S311-F313 WeakPolarHBondContact OG-CD1 3.26Å; S311-F313 VanDerWaalsContact OG-CE1 3.29Å; S311-F313 WeakPolarHBondContact OG-CE1 3.44Å
312H83.3Confident89.7Confident141 Ų14145 Ų4565%0.65322%0.218SC*.THydrogen-bonded Turntrans54.229.1-177.9-60-76.6000114.3W307 V308 P309W307-H312 HydrophobicContact CH2-CB 4.05Å; W307-H312 WeakPolarHBondContact CH2-O 3.42Å; W307-H312 HydrophobicContact CZ2-CB 4.3Å; W307-H312 WeakPolarHBondContact CZ3-O 3.22Å; V308-H312 PolarHBondContact O-N 2.94Å; V308-H312 VanDerWaalsContact O-N 3.15Å; P309-H312 PolarHBondContact O-CE1 2.84Å
313F86.3Confident89.5Confident102 Ų10248.8 Ų48.845%0.44724%0.236SC..EExtended strand (participates in β ladder)trans-133.3165.9174.270.4-107.8000113V308 S311 T315V308-F313 PolarHBondContact N-O 2.94Å; S311-F313 VanDerWaalsContact CB-CD1 3.45Å; S311-F313 WeakPolarHBondContact O-CD1 3.42Å; S311-F313 PolarHBondContact O-N 3.27Å; S311-F313 VanDerWaalsContact OG-CD1 3.23Å; S311-F313 WeakPolarHBondContact OG-CD1 3.26Å; S311-F313 VanDerWaalsContact OG-CE1 3.29Å; S311-F313 WeakPolarHBondContact OG-CE1 3.44Å; F313-T315 VanDerWaalsContact CE2-OG1 3.27Å; F313-T315 WeakPolarHBondContact CE2-OG1 3.48Å
314N87.2Confident89.4Confident75 Ų7547.5 Ų47.540%0.40123%0.232SC..EExtended strand (participates in β ladder)trans-91.3112.2177.8-89-16.7000110.1F305 L306 W307F305-N314 HydrophobicContact CB-CB 4.02Å; F305-N314 HydrophobicContact CD1-CB 4.12Å; F305-N314 HydrophobicContact CG-CB 4.48Å; L306-N314 CarbonylContact O-C 3.54Å; L306-N314 WeakPolarHBondContact O-CA 3.3Å; W307-N314 WeakPolarHBondContact CA-OD1 3.35Å
315T90.1Very high89.3Confident5 Ų547.9 Ų47.93%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-86.5123.5176-63.40000110.3F305 L306 V308 F313F305-T315 WeakPolarHBondContact CA-O 3.18Å; L306-T315 PolarHBondContact N-O 3.38Å; L306-T315 PolarHBondContact O-N 3.34Å; V308-T315 VanDerWaalsContact CG2-OG1 3.32Å; V308-T315 WeakPolarHBondContact CG2-OG1 3.47Å; F313-T315 VanDerWaalsContact CE2-OG1 3.27Å; F313-T315 WeakPolarHBondContact CE2-OG1 3.48Å
316L92.8Very high89.4Confident65 Ų6544.5 Ų44.534%0.3422%0.219SC..EExtended strand (participates in β ladder)trans-69.4135.1172.9-179.253.4000110.7F305 S330 Q331F305-L316 HydrophobicContact CD1-CB 3.97Å; F305-L316 HydrophobicContact CD1-CD1 4.36Å; F305-L316 HydrophobicContact CD2-CD1 4.2Å; F305-L316 HydrophobicContact CE1-CB 3.68Å; F305-L316 HydrophobicContact CE1-CD1 4.02Å; F305-L316 HydrophobicContact CE1-CD2 4.47Å; F305-L316 HydrophobicContact CE1-CG 4.26Å; F305-L316 HydrophobicContact CE2-CD1 3.84Å; F305-L316 HydrophobicContact CG-CD1 4.45Å; F305-L316 HydrophobicContact CZ-CB 4.23Å; F305-L316 HydrophobicContact CZ-CD1 3.75Å; F305-L316 HydrophobicContact CZ-CD2 4.3Å; F305-L316 HydrophobicContact CZ-CG 4.31Å; L316-S330 WeakPolarHBondContact O-CA 3.47Å; L316-Q331 PolarHBondContact O-N 3.27Å
317G93.6Very high89.5Confident4 Ų444.5 Ų44.54%0.04122%0.219CC..EExtended strand (participates in β ladder)trans-173-161.9179.100000113.5S304 A329S304-G317 PolarHBondContact N-O 2.62Å; S304-G317 PolarHBondContact O-N 3.31Å; G317-A329 CarbonylContact C-O 3.53Å; G317-A329 WeakPolarHBondContact CA-O 3.35Å
318K94.2Very high89.7Confident108 Ų10840.5 Ų40.547%0.4720%0.204SC..EExtended strand (participates in β ladder)trans-124.6130.1-178.7-66.3176.2-178.8176.40109.9V301 H302 F328 A329V301-K318 HydrophobicContact CG1-CB 4.18Å; V301-K318 HydrophobicContact CG1-CD 4.06Å; V301-K318 HydrophobicContact CG1-CG 4.32Å; H302-K318 CarbonylContact O-C 2.82Å; H302-K318 WeakPolarHBondContact O-CA 3.47Å; K318-F328 WeakPolarHBondContact O-CA 3.43Å; K318-F328 WeakPolarHBondContact O-CD2 3.39Å; K318-A329 PolarHBondContact N-O 3.37Å; K318-A329 PolarHBondContact O-N 2.81Å
319I94.8Very high90.1Very high0 Ų041 Ų410%021%0.208CC..EExtended strand (participates in β ladder)trans-81.2126.7161.8-59.6161.2000106.4V301 H302 S304 L326 C327 F328 F370 V373 L379V301-I319 CarbonylContact C-O 3.52Å; V301-I319 WeakPolarHBondContact CA-O 3.42Å; H302-I319 HydrophobicContact CB-CB 4.42Å; H302-I319 PolarHBondContact N-O 3.02Å; H302-I319 PolarHBondContact O-N 3.37Å; S304-I319 WeakPolarHBondContact OG-CD1 3.27Å; S304-I319 WeakPolarHBondContact OG-CG1 3.49Å; I319-L326 HydrophobicContact CG2-CD1 4.33Å; I319-C327 CarbonylContact C-O 3.59Å; I319-C327 WeakPolarHBondContact CA-O 3.24Å; I319-F328 HydrophobicContact CG1-CD2 4.19Å; I319-F370 HydrophobicContact CD1-CB 4.04Å; I319-F370 HydrophobicContact CD1-CD1 3.61Å; I319-F370 HydrophobicContact CD1-CD2 4.29Å; I319-F370 HydrophobicContact CD1-CE1 4.09Å; I319-F370 HydrophobicContact CD1-CG 3.72Å; I319-F370 HydrophobicContact CG1-CD1 3.71Å; I319-F370 HydrophobicContact CG1-CE1 3.75Å; I319-F370 HydrophobicContact CG1-CG 4.31Å; I319-F370 HydrophobicContact CG1-CZ 4.38Å; I319-V373 HydrophobicContact CD1-CG1 4.39Å; I319-V373 HydrophobicContact CD1-CG2 4.33Å; I319-L379 HydrophobicContact CD1-CD2 3.89Å; I319-L379 HydrophobicContact CG2-CD2 4.48Å
320C94.9Very high90.6Very high13 Ų1338.5 Ų38.59%0.08819%0.192CC..EExtended strand (participates in β ladder)trans-117.4127.8174.4-620000108.3F286 F290 L298 C327F286-C320 HydrophobicContact CD2-CB 3.74Å; F286-C320 HydrophobicContact CE2-CB 3.45Å; F286-C320 VanDerWaalsContact CE2-CB 3.45Å; F290-C320 HydrophobicContact CE2-CB 4.11Å; L298-C320 HydrophobicContact CD1-CB 3.91Å; C320-C327 HydrophobicContact CB-CB 4.36Å; C320-C327 PolarHBondContact N-O 2.99Å; C320-C327 PolarHBondContact O-N 3.39Å
321L94.3Very high90.8Very high1 Ų143.5 Ų43.51%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-107.9136.4176.5-78.1-167.9000111.5L299 E300 L326 M342 L379 T382 I383L299-L321 PolarHBondContact N-O 3.24Å; E300-L321 HydrophobicContact CB-CB 4.31Å; E300-L321 PolarHBondContact N-O 3.47Å; E300-L321 PolarHBondContact O-N 2.99Å; L321-L326 HydrophobicContact CD2-CB 3.88Å; L321-L326 HydrophobicContact CD2-CD1 3.85Å; L321-L326 HydrophobicContact CD2-CG 4.15Å; L321-M342 HydrophobicContact CD2-CE 3.52Å; L321-L379 HydrophobicContact CD1-CD1 3.35Å; L321-L379 HydrophobicContact CG-CD1 3.94Å; L321-T382 HydrophobicContact CD1-CG2 3.62Å; L321-I383 HydrophobicContact CD1-CG1 4.12Å; L321-I383 HydrophobicContact CD2-CG1 4.2Å
322S93.1Very high90.6Very high0 Ų044.5 Ų44.50%022%0.219CC..  trans-121.2-169.1160.970.60000110.2E296 N297 Y325E296-S322 WeakPolarHBondContact OE2-CB 3.46Å; E296-S322 PolarHBondContact OE2-OG 3.09Å; N297-S322 WeakPolarHBondContact O-CA 3.48Å; N297-S322 WeakPolarHBondContact O-CB 3.12Å; S322-Y325 PolarHBondContact N-O 3.33Å; S322-Y325 WeakPolarHBondContact OG-CB 3.36Å; S322-Y325 PolarHBondContact OG-N 3.22Å
323E88.8Confident89.9Confident98 Ų9838.9 Ų38.946%0.45820%0.198SC..SBendtrans-72.3-41.9-177.7-165.457.6-155.500111.5E296 L299 R386E296-E323 PolarHBondContact OE2-N 3.29Å; L299-E323 HydrophobicContact CD1-CB 4.45Å; L299-E323 WeakPolarHBondContact CD1-OE2 3.28Å; E323-R386 VanDerWaalsContact CD-NE 3.32Å; E323-R386 IonicContact OE1-CZ 3.2Å; E323-R386 IonicContact OE1-NE 3.45Å; E323-R386 PolarHBondContact OE1-NE 3.33Å; E323-R386 IonicContact OE1-NH2 2.76Å; E323-R386 IonicContact OE2-CZ 2.72Å; E323-R386 VanDerWaalsContact OE2-CZ 3.26Å; E323-R386 IonicContact OE2-NE 3.53Å; E323-R386 PolarHBondContact OE2-NE 3.15Å; E323-R386 IonicContact OE2-NH2 3.6Å; E323-R386 PolarHBondContact OE2-NH2 3.42Å
324N90.7Very high89Confident77 Ų7737.6 Ų37.641%0.41220%0.202SC..SBendtrans-105.5-4.5-179.6-62.3-68000115E296 P341 M342E296-N324 WeakPolarHBondContact OE1-CB 3.42Å; E296-N324 PolarHBondContact OE1-ND2 2.86Å; E296-N324 PolarHBondContact OE2-N 2.93Å; E296-N324 VanDerWaalsContact OE2-N 3.07Å; N324-P341 CarbonylContact O-C 3.59Å; N324-P341 WeakPolarHBondContact O-CA 3.28Å; N324-M342 WeakPolarHBondContact O-CG 3.3Å; N324-M342 PolarHBondContact O-N 2.95Å
325Y93.1Very high88.1Confident9 Ų938.4 Ų38.44%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-133.4141.8-175.3-60.4-94.9000114.5L292 P293 E296 S322 I339 I340 P341 N508L292-Y325 HydrophobicContact CD1-CD2 4.42Å; L292-Y325 HydrophobicContact CD1-CG 4.39Å; L292-Y325 HydrophobicContact CD2-CD1 3.76Å; L292-Y325 HydrophobicContact CD2-CD2 3.96Å; L292-Y325 HydrophobicContact CD2-CE1 3.94Å; L292-Y325 HydrophobicContact CD2-CE2 4.15Å; L292-Y325 HydrophobicContact CD2-CG 3.77Å; P293-Y325 HydrophobicContact CG-CE2 4.44Å; E296-Y325 HydrophobicContact CG-CD2 3.75Å; E296-Y325 HydrophobicContact CG-CE2 3.78Å; S322-Y325 PolarHBondContact N-O 3.33Å; S322-Y325 WeakPolarHBondContact OG-CB 3.36Å; S322-Y325 PolarHBondContact OG-N 3.22Å; Y325-I339 HydrophobicContact CD1-CG2 3.75Å; Y325-I339 HydrophobicContact CE1-CG2 4.2Å; Y325-I340 WeakPolarHBondContact CA-O 3.47Å; Y325-P341 HydrophobicContact CD1-CB 4.38Å; Y325-P341 HydrophobicContact CD1-CG 4.31Å; Y325-P341 HydrophobicContact CE1-CB 4.22Å; Y325-P341 HydrophobicContact CE1-CG 4.01Å; Y325-N508 HydrophobicContact CE1-CB 4.42Å; Y325-N508 VanDerWaalsContact OH-CB 3.26Å; Y325-N508 WeakPolarHBondContact OH-CB 3.35Å
326L94.4Very high87.8Confident2 Ų238.3 Ų38.31%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-107.9115.6161.9170.4131.8000108.1I319 L321 I340 M342 V360 I383I319-L326 HydrophobicContact CG2-CD1 4.33Å; L321-L326 HydrophobicContact CD2-CB 3.88Å; L321-L326 HydrophobicContact CD2-CD1 3.85Å; L321-L326 HydrophobicContact CD2-CG 4.15Å; L326-I340 HydrophobicContact CD2-CB 4.24Å; L326-I340 HydrophobicContact CD2-CD1 3.91Å; L326-I340 PolarHBondContact N-O 3.33Å; L326-I340 PolarHBondContact O-N 3.28Å; L326-M342 HydrophobicContact CB-CE 3.98Å; L326-M342 HydrophobicContact CB-SD 4.38Å; L326-V360 HydrophobicContact CD1-CG2 4.44Å; L326-I383 HydrophobicContact CD1-CD1 3.51Å; L326-I383 HydrophobicContact CD1-CG1 3.99Å
327C94.8Very high87.7Confident0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-116.1152.3-178-650000111F286 F290 I319 C320 I338F286-C327 HydrophobicContact CE2-CB 4.18Å; F290-C327 HydrophobicContact CD1-CB 3.85Å; F290-C327 HydrophobicContact CD2-CB 3.95Å; F290-C327 HydrophobicContact CE1-CB 3.64Å; F290-C327 HydrophobicContact CE2-CB 3.75Å; F290-C327 HydrophobicContact CG-CB 3.98Å; F290-C327 HydrophobicContact CZ-CB 3.58Å; I319-C327 CarbonylContact C-O 3.59Å; I319-C327 WeakPolarHBondContact CA-O 3.24Å; C320-C327 HydrophobicContact CB-CB 4.36Å; C320-C327 PolarHBondContact N-O 2.99Å; C320-C327 PolarHBondContact O-N 3.39Å; C327-I338 CarbonylContact C-O 3.5Å; C327-I338 VanDerWaalsContact CA-O 3.3Å; C327-I338 WeakPolarHBondContact CA-O 3.38Å
328F94.1Very high87.6Confident2 Ų237.1 Ų37.11%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-133.7135.6169175.4-91.7000110.3L306 K318 I319 H337 I338 F370L306-F328 HydrophobicContact CB-CD1 4.18Å; L306-F328 HydrophobicContact CB-CD2 4.22Å; L306-F328 HydrophobicContact CB-CE1 3.73Å; L306-F328 HydrophobicContact CB-CE2 3.76Å; L306-F328 HydrophobicContact CB-CG 4.41Å; L306-F328 HydrophobicContact CB-CZ 3.5Å; L306-F328 VanDerWaalsContact CB-CZ 3.5Å; L306-F328 HydrophobicContact CD2-CD1 3.49Å; L306-F328 VanDerWaalsContact CD2-CD1 3.49Å; L306-F328 HydrophobicContact CD2-CE1 3.64Å; L306-F328 HydrophobicContact CD2-CG 4.04Å; L306-F328 HydrophobicContact CD2-CZ 4.3Å; L306-F328 HydrophobicContact CG-CD1 4.47Å; L306-F328 HydrophobicContact CG-CE1 4.34Å; K318-F328 WeakPolarHBondContact O-CA 3.43Å; K318-F328 WeakPolarHBondContact O-CD2 3.39Å; I319-F328 HydrophobicContact CG1-CD2 4.19Å; F328-H337 CarbonylContact O-C 3.47Å; F328-H337 WeakPolarHBondContact O-CA 3.33Å; F328-H337 VanDerWaalsContact O-CB 3.28Å; F328-H337 WeakPolarHBondContact O-CB 3.15Å; F328-I338 PolarHBondContact N-O 3.34Å; F328-I338 PolarHBondContact O-N 3.15Å; F328-F370 HydrophobicContact CB-CE1 4.14Å; F328-F370 HydrophobicContact CD2-CD1 4.25Å; F328-F370 AromaticContact CD2-CE1 3.73Å; F328-F370 HydrophobicContact CD2-CE1 3.73Å; F328-F370 HydrophobicContact CE2-CE1 4.44Å; F328-F370 HydrophobicContact CG-CE1 4.09Å
329A92.6Very high87.5Confident13 Ų1333.4 Ų33.411%0.10718%0.179CC..EExtended strand (participates in β ladder)trans-127.3131169.600000110.8F289 F290 G317 K318 H337F289-A329 HydrophobicContact CD1-CB 4.48Å; F289-A329 HydrophobicContact CE1-CB 3.61Å; F289-A329 HydrophobicContact CZ-CB 3.93Å; F290-A329 HydrophobicContact CE1-CB 4.12Å; F290-A329 HydrophobicContact CZ-CB 3.69Å; G317-A329 CarbonylContact C-O 3.53Å; G317-A329 WeakPolarHBondContact CA-O 3.35Å; K318-A329 PolarHBondContact N-O 3.37Å; K318-A329 PolarHBondContact O-N 2.81Å; A329-H337 HydrophobicContact CB-CB 4.48Å
330S91.2Very high87.4Confident5 Ų533.5 Ų33.54%0.03518%0.18CC..EExtended strand (participates in β ladder)trans-57.9153.8166.952.50000111.9L316 D332 G333 Q335 C336L316-S330 WeakPolarHBondContact O-CA 3.47Å; S330-D332 VanDerWaalsContact C-N 3.27Å; S330-D332 PolarHBondContact O-N 2.92Å; S330-G333 WeakPolarHBondContact O-CA 3.3Å; S330-G333 PolarHBondContact O-N 3.1Å; S330-Q335 PolarHBondContact OG-N 3.01Å; S330-C336 VanDerWaalsContact CB-O 3.3Å; S330-C336 WeakPolarHBondContact CB-O 3.29Å; S330-C336 PolarHBondContact N-O 3.31Å; S330-C336 PolarHBondContact OG-N 3.41Å; S330-C336 VanDerWaalsContact OG-N 3.08Å; S330-C336 PolarHBondContact OG-O 3.41Å
331Q84.8Confident87.3Confident154 Ų15433 Ų3372%0.7218%0.177SC*.THydrogen-bonded Turntrans-58-34.2-172.7-172.517913.600114.2L316L316-Q331 PolarHBondContact O-N 3.27Å
332D72.8Confident87.1Confident61 Ų6133.3 Ų33.333%0.32618%0.178SC..THydrogen-bonded Turntrans-90.9-3.7175.96141.3000113.9S330 S334 Q335S330-D332 VanDerWaalsContact C-N 3.27Å; S330-D332 PolarHBondContact O-N 2.92Å; D332-S334 PolarHBondContact O-N 3.47Å; D332-S334 VanDerWaalsContact O-N 3.15Å; D332-S334 WeakPolarHBondContact OD1-CA 3.2Å; D332-S334 WeakPolarHBondContact OD1-CB 3.19Å; D332-S334 PolarHBondContact OD1-N 3.24Å; D332-S334 PolarHBondContact OD1-OG 3.27Å; D332-Q335 PolarHBondContact OD1-N 3.02Å; D332-Q335 WeakPolarHBondContact OD2-CG 3.41Å; D332-Q335 PolarHBondContact OD2-NE2 3.28Å
333G68.4Low86.8Confident22 Ų2235 Ų3523%0.22718%0.184CC..SBendtrans70.3-7.8-17600000115.4S330S330-G333 WeakPolarHBondContact O-CA 3.3Å; S330-G333 PolarHBondContact O-N 3.1Å
334S68.4Low86.8Confident75 Ų7531.4 Ų31.452%0.52417%0.168SC..SBendtrans-106.4-28.7-166.576.10000114D332D332-S334 PolarHBondContact O-N 3.47Å; D332-S334 VanDerWaalsContact O-N 3.15Å; D332-S334 WeakPolarHBondContact OD1-CA 3.2Å; D332-S334 WeakPolarHBondContact OD1-CB 3.19Å; D332-S334 PolarHBondContact OD1-N 3.24Å; D332-S334 PolarHBondContact OD1-OG 3.27Å
335Q67.4Low86.8Confident93 Ų9328 Ų2844%0.43515%0.15SC..SBendtrans-69.2-50.8-179.8-69.6177.23500111.9S330 D332S330-Q335 PolarHBondContact OG-N 3.01Å; D332-Q335 PolarHBondContact OD1-N 3.02Å; D332-Q335 WeakPolarHBondContact OD2-CG 3.41Å; D332-Q335 PolarHBondContact OD2-NE2 3.28Å
336C84.9Confident86.6Confident3 Ų333 Ų332%0.0218%0.175CC..  trans-160.9145.9179-171.20000111.9S330 F478 F479S330-C336 VanDerWaalsContact CB-O 3.3Å; S330-C336 WeakPolarHBondContact CB-O 3.29Å; S330-C336 PolarHBondContact N-O 3.31Å; S330-C336 PolarHBondContact OG-N 3.41Å; S330-C336 VanDerWaalsContact OG-N 3.08Å; S330-C336 PolarHBondContact OG-O 3.41Å; C336-F478 WeakPolarHBondContact SG-CD1 3.35Å; C336-F479 WeakPolarHBondContact CA-O 3.25Å
337H90.4Very high86.3Confident42 Ų4236.1 Ų36.119%0.19419%0.193CC..EExtended strand (participates in β ladder)trans-138.4160.6156.564.8-89.8000111.4F289 F290 F328 A329 F479F289-H337 HydrophobicContact CE1-CB 4.29Å; F290-H337 HydrophobicContact CE1-CB 4.27Å; F328-H337 CarbonylContact O-C 3.47Å; F328-H337 WeakPolarHBondContact O-CA 3.33Å; F328-H337 VanDerWaalsContact O-CB 3.28Å; F328-H337 WeakPolarHBondContact O-CB 3.15Å; A329-H337 HydrophobicContact CB-CB 4.48Å; H337-F479 AromaticContact CD2-CD2 3.55Å; H337-F479 VanDerWaalsContact CE1-CB 3.42Å; H337-F479 WeakPolarHBondContact CE1-CB 3.43Å; H337-F479 PolarHBondContact N-O 2.96Å; H337-F479 VanDerWaalsContact N-O 3.13Å; H337-F479 WeakPolarHBondContact NE2-CB 3.41Å; H337-F479 AromaticContact NE2-CD2 3.55Å; H337-F479 AromaticContact NE2-CG 3.59Å; H337-F479 PolarHBondContact O-N 3.25Å
338I91.3Very high86Confident2 Ų236.4 Ų36.41%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-140.8141.7179.8-47.6180000108.8L306 C327 F328 I340 L368 F478L306-I338 HydrophobicContact CD2-CD1 3.6Å; L306-I338 HydrophobicContact CD2-CG1 4.44Å; C327-I338 CarbonylContact C-O 3.5Å; C327-I338 VanDerWaalsContact CA-O 3.3Å; C327-I338 WeakPolarHBondContact CA-O 3.38Å; F328-I338 PolarHBondContact N-O 3.34Å; F328-I338 PolarHBondContact O-N 3.15Å; I338-I340 HydrophobicContact CG2-CD1 3.98Å; I338-I340 HydrophobicContact CG2-CG1 3.91Å; I338-L368 HydrophobicContact CD1-CD1 3.8Å; I338-L368 HydrophobicContact CD1-CD2 3.99Å; I338-L368 HydrophobicContact CG2-CD1 4.42Å; I338-F478 HydrophobicContact CD1-CD1 3.8Å; I338-F478 HydrophobicContact CD1-CD2 3.99Å; I338-F478 HydrophobicContact CD1-CE1 3.62Å; I338-F478 HydrophobicContact CD1-CE2 3.83Å; I338-F478 HydrophobicContact CD1-CG 3.98Å; I338-F478 HydrophobicContact CD1-CZ 3.64Å; I338-F478 HydrophobicContact CG1-CD1 4.3Å; I338-F478 HydrophobicContact CG1-CG 4.27Å
339I92.8Very high85.7Confident29 Ų2940.8 Ų40.815%0.14921%0.214CC..EExtended strand (participates in β ladder)trans-126.5111.1175.5-60.5157.6000107.5F290 L292 Y325 F479F290-I339 HydrophobicContact CB-CD1 4.21Å; F290-I339 HydrophobicContact CB-CG1 4.15Å; F290-I339 HydrophobicContact CD1-CD1 4.26Å; F290-I339 HydrophobicContact CD1-CG1 3.69Å; F290-I339 HydrophobicContact CG-CG1 4.33Å; F290-I339 VanDerWaalsContact O-CD1 3.22Å; F290-I339 WeakPolarHBondContact O-CD1 3.38Å; L292-I339 HydrophobicContact CD2-CG2 3.84Å; Y325-I339 HydrophobicContact CD1-CG2 3.75Å; Y325-I339 HydrophobicContact CE1-CG2 4.2Å; I339-F479 HydrophobicContact CD1-CE2 4.2Å
340I92.3Very high85.3Confident2 Ų244 Ų441%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-114.2116.9178.8-69159.8000109.5Y325 L326 I338 E344 V345 V362 L368Y325-I340 WeakPolarHBondContact CA-O 3.47Å; L326-I340 HydrophobicContact CD2-CB 4.24Å; L326-I340 HydrophobicContact CD2-CD1 3.91Å; L326-I340 PolarHBondContact N-O 3.33Å; L326-I340 PolarHBondContact O-N 3.28Å; I338-I340 HydrophobicContact CG2-CD1 3.98Å; I338-I340 HydrophobicContact CG2-CG1 3.91Å; I340-E344 HydrophobicContact CG2-CB 4.39Å; I340-V345 HydrophobicContact CG2-CG2 3.69Å; I340-V362 HydrophobicContact CD1-CG2 3.87Å; I340-V362 HydrophobicContact CG2-CG1 4.28Å; I340-V362 HydrophobicContact CG2-CG2 4.39Å; I340-L368 HydrophobicContact CD1-CD1 3.33Å; I340-L368 HydrophobicContact CD1-CG 4.16Å
341P92.2Very high84Confident3 Ų346.1 Ų46.12%0.01924%0.24CC..EExtended strand (participates in β ladder)trans-62.3136.2167.2-18.130.6000110.7N324 Y325 R343 E344 T475 N508N324-P341 CarbonylContact O-C 3.59Å; N324-P341 WeakPolarHBondContact O-CA 3.28Å; Y325-P341 HydrophobicContact CD1-CB 4.38Å; Y325-P341 HydrophobicContact CD1-CG 4.31Å; Y325-P341 HydrophobicContact CE1-CB 4.22Å; Y325-P341 HydrophobicContact CE1-CG 4.01Å; P341-R343 HydrophobicContact CB-CG 3.92Å; P341-R343 PolarHBondContact O-N 3.2Å; P341-R343 VanDerWaalsContact O-N 3.09Å; P341-E344 HydrophobicContact CB-CG 4.32Å; P341-E344 HydrophobicContact CG-CG 4.34Å; P341-E344 WeakPolarHBondContact O-CB 3.16Å; P341-E344 PolarHBondContact O-N 2.94Å; P341-T475 HydrophobicContact CG-CG2 4.28Å; P341-N508 WeakPolarHBondContact CG-OD1 3.28Å
342M90.3Very high83.2Confident7 Ų744.7 Ų44.73%0.03424%0.237CC..G310 helixtrans-57.9-28-178.6-73.9-67.5-17400113.2L321 N324 L326 E344 V345 I383 R386L321-M342 HydrophobicContact CD2-CE 3.52Å; N324-M342 WeakPolarHBondContact O-CG 3.3Å; N324-M342 PolarHBondContact O-N 2.95Å; L326-M342 HydrophobicContact CB-CE 3.98Å; L326-M342 HydrophobicContact CB-SD 4.38Å; M342-E344 PolarHBondContact O-N 3.45Å; M342-V345 PolarHBondContact O-N 2.99Å; M342-V345 VanDerWaalsContact O-N 3.16Å; M342-V345 HydrophobicContact SD-CG2 4.49Å; M342-I383 HydrophobicContact SD-CG2 4.22Å; M342-R386 HydrophobicContact CG-CB 4.3Å; M342-R386 HydrophobicContact SD-CB 4.23Å
343R87.8Confident82.7Confident36 Ų3646.8 Ų46.814%0.13626%0.257CS..G310 helixtrans-64.6-18.1173.566.3171-165.8-95.9-10.1114.6P341 N508P341-R343 HydrophobicContact CB-CG 3.92Å; P341-R343 PolarHBondContact O-N 3.2Å; P341-R343 VanDerWaalsContact O-N 3.09Å; R343-N508 PolarHBondContact NH1-O 3.3Å; R343-N508 PolarHBondContact NH2-OD1 2.83Å
344E88.9Confident82.7Confident23 Ų2350.6 Ų50.611%0.10728%0.28CS..G310 helixtrans-91.8-11.7175.8-57.2-53.2143.800112.7I340 P341 M342 I346 V362 R363I340-E344 HydrophobicContact CG2-CB 4.39Å; P341-E344 HydrophobicContact CB-CG 4.32Å; P341-E344 HydrophobicContact CG-CG 4.34Å; P341-E344 WeakPolarHBondContact O-CB 3.16Å; P341-E344 PolarHBondContact O-N 2.94Å; M342-E344 PolarHBondContact O-N 3.45Å; E344-I346 PolarHBondContact O-N 2.77Å; E344-V362 HydrophobicContact CB-CG1 3.91Å; E344-V362 CarbonylContact O-C 3.24Å; E344-V362 WeakPolarHBondContact O-CA 3.45Å; E344-V362 WeakPolarHBondContact O-CG1 3.36Å; E344-R363 VanDerWaalsContact CD-NH1 3.28Å; E344-R363 PolarHBondContact O-N 2.87Å; E344-R363 IonicContact OE1-NH1 3.27Å; E344-R363 PolarHBondContact OE1-NH1 2.83Å; E344-R363 WeakPolarHBondContact OE2-CB 3.46Å; E344-R363 WeakPolarHBondContact OE2-CD 3.41Å; E344-R363 IonicContact OE2-CZ 3.24Å; E344-R363 IonicContact OE2-NE 3.88Å; E344-R363 IonicContact OE2-NH1 3.81Å; E344-R363 PolarHBondContact OE2-NH1 3.06Å
345V90.4Very high82.7Confident5 Ų549.2 Ų49.23%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-80.6116.4178-173.30000109.9I340 M342 V348 V360 I383 C387I340-V345 HydrophobicContact CG2-CG2 3.69Å; M342-V345 PolarHBondContact O-N 2.99Å; M342-V345 VanDerWaalsContact O-N 3.16Å; M342-V345 HydrophobicContact SD-CG2 4.49Å; V345-V348 HydrophobicContact CG1-CG2 4.12Å; V345-V360 HydrophobicContact CG1-CG1 3.64Å; V345-V360 HydrophobicContact CG2-CG1 4.15Å; V345-I383 HydrophobicContact CG1-CG2 4.26Å; V345-C387 WeakPolarHBondContact CG1-SG 3.35Å
346I88.8Confident83.4Confident113 Ų11351.6 Ų51.658%0.57928%0.275SS*.EExtended strand (participates in β ladder)trans-90.4-45-178.1-62.7178.6000111.2E344 C361 R363E344-I346 PolarHBondContact O-N 2.77Å; I346-C361 PolarHBondContact N-O 2.6Å; I346-R363 HydrophobicContact CD1-CB 4.05Å; I346-R363 HydrophobicContact CD1-CG 4.43Å; I346-R363 HydrophobicContact CG1-CB 4.46Å
347N87.3Confident83.5Confident69 Ų6951.9 Ų51.937%0.36928%0.278SS..EExtended strand (participates in β ladder)trans-150159.6-176-17024.4000111.4E349 C361N347-E349 WeakPolarHBondContact ND2-CG 3.45Å; N347-E349 PolarHBondContact ND2-OE1 2.79Å; N347-C361 HydrophobicContact CB-CB 4.11Å; N347-C361 PolarHBondContact N-O 2.96Å; N347-C361 PolarHBondContact O-N 3.16Å
348V89.9Confident83.6Confident5 Ų549.9 Ų49.93%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-133.2107.9176-177.90000108.9V345 L358 T359 A380 I383 R384V345-V348 HydrophobicContact CG1-CG2 4.12Å; V348-L358 HydrophobicContact CG1-CD1 3.34Å; V348-L358 HydrophobicContact CG1-CG 4.2Å; V348-T359 CarbonylContact C-O 3.27Å; V348-T359 WeakPolarHBondContact CA-O 3.32Å; V348-A380 HydrophobicContact CG1-CB 3.99Å; V348-I383 HydrophobicContact CG2-CB 4.11Å; V348-I383 HydrophobicContact CG2-CG2 3.55Å; V348-R384 PolarHBondContact O-NH2 2.87Å
349E87.7Confident83.6Confident94 Ų9450.2 Ų50.244%0.43927%0.27SS..EExtended strand (participates in β ladder)trans-99.4147.1-175.8-64.6169.4-162.600111.5N347 T359N347-E349 WeakPolarHBondContact ND2-CG 3.45Å; N347-E349 PolarHBondContact ND2-OE1 2.79Å; E349-T359 PolarHBondContact N-O 3.46Å; E349-T359 PolarHBondContact O-N 3.39Å
350K82.6Confident83.5Confident80 Ų8048.8 Ų48.835%0.34826%0.263SS..  trans-116.494.2178.8-64.7174.8-179.9175.70107.6D352 Y376 A380 N381K350-D352 VanDerWaalsContact C-N 3.33Å; K350-D352 PolarHBondContact O-N 3.2Å; K350-Y376 HydrophobicContact CG-CE2 4.5Å; K350-A380 HydrophobicContact CD-CB 4.42Å; K350-A380 HydrophobicContact CG-CB 4.37Å; K350-N381 PolarHBondContact NZ-OD1 3.09Å
351P65.2Low83.4Confident51 Ų5149.8 Ų49.833%0.33127%0.27SS..  trans-78.283.1-174.731.8-34.1000110.3S355 A357P351-S355 VanDerWaalsContact O-CB 3.29Å; P351-S355 WeakPolarHBondContact O-CB 3.3Å; P351-S355 PolarHBondContact O-OG 3.21Å; P351-A357 HydrophobicContact CG-CB 3.87Å
352D67.3Low83.2Confident123 Ų12349.9 Ų49.966%0.65827%0.271SS*.  trans75.6150-173-54.4-37.6000116.3K350 S354 S355K350-D352 VanDerWaalsContact C-N 3.33Å; K350-D352 PolarHBondContact O-N 3.2Å; D352-S354 VanDerWaalsContact C-N 3.3Å; D352-S354 PolarHBondContact O-N 2.69Å; D352-S355 PolarHBondContact O-OG 3.33Å
353S63.6Low82.9Confident106 Ų10655.5 Ų55.574%0.74129%0.291SS*.SBendtrans-75.9-15.5-178.851.10000113.8Y376S353-Y376 PolarHBondContact O-OH 3.11Å
354S66.8Low82.1Confident102 Ų10256.8 Ų56.871%0.71332%0.316SS*.SBendtrans-90.5-20.3-18051.30000114.2D352 R356D352-S354 VanDerWaalsContact C-N 3.3Å; D352-S354 PolarHBondContact O-N 2.69Å; S354-R356 PolarHBondContact O-N 3.1Å
355S69Low80.9Confident45 Ų4565.2 Ų65.232%0.31535%0.353SS..SBendtrans-84.3-9.4-16265.20000115.9P351 D352 A357P351-S355 VanDerWaalsContact O-CB 3.29Å; P351-S355 WeakPolarHBondContact O-CB 3.3Å; P351-S355 PolarHBondContact O-OG 3.21Å; D352-S355 PolarHBondContact O-OG 3.33Å; S355-A357 PolarHBondContact O-N 3.36Å; S355-A357 PolarHBondContact OG-N 2.9Å
356R83.1Confident80.2Confident143 Ų14368 Ų6854%0.5436%0.363SS..  trans46.527.9-171.1-64.3-179.4174.3172-2.8113.7S354 E372 V373S354-R356 PolarHBondContact O-N 3.1Å; R356-E372 WeakPolarHBondContact CD-OE2 3.29Å; R356-E372 IonicContact NH1-OE2 2.84Å; R356-E372 PolarHBondContact NH1-OE2 3.43Å; R356-E372 PolarHBondContact O-N 2.84Å; R356-V373 PolarHBondContact O-N 2.82Å; R356-V373 VanDerWaalsContact O-N 3.08Å
357A87Confident80.1Confident9 Ų965.5 Ų65.57%0.07436%0.358CS..  trans-107.6156.8-174.100000111.3P351 S355 F370P351-A357 HydrophobicContact CG-CB 3.87Å; S355-A357 PolarHBondContact O-N 3.36Å; S355-A357 PolarHBondContact OG-N 2.9Å; A357-F370 CarbonylContact C-O 3.55Å; A357-F370 VanDerWaalsContact CA-O 3.25Å; A357-F370 WeakPolarHBondContact CA-O 3.45Å; A357-F370 WeakPolarHBondContact CB-O 3.46Å
358L90.8Very high80.2Confident0 Ų062.7 Ų62.70%034%0.343CS..EExtended strand (participates in β ladder)trans-140.9121.5-176.1-176.266.8000108.6V348 V360 F370 L379 A380 I383V348-L358 HydrophobicContact CG1-CD1 3.34Å; V348-L358 HydrophobicContact CG1-CG 4.2Å; L358-V360 HydrophobicContact CD2-CG2 4.27Å; L358-V360 HydrophobicContact CG-CG2 4.23Å; L358-F370 HydrophobicContact CB-CB 4.35Å; L358-F370 PolarHBondContact N-O 3.08Å; L358-F370 PolarHBondContact O-N 3.33Å; L358-L379 HydrophobicContact CD2-CD2 3.75Å; L358-L379 HydrophobicContact CD2-CG 4.01Å; L358-A380 HydrophobicContact CD1-CB 3.49Å; L358-A380 VanDerWaalsContact CD1-CB 3.49Å; L358-I383 HydrophobicContact CD2-CD1 3.91Å
359T91.3Very high80.3Confident9 Ų968.9 Ų68.96%0.05537%0.366CS..EExtended strand (participates in β ladder)trans-107117.9173.6-550000109V348 E349 A367 L368V348-T359 CarbonylContact C-O 3.27Å; V348-T359 WeakPolarHBondContact CA-O 3.32Å; E349-T359 PolarHBondContact N-O 3.46Å; E349-T359 PolarHBondContact O-N 3.39Å; T359-A367 HydrophobicContact CG2-CB 3.83Å; T359-L368 CarbonylContact C-O 3.55Å; T359-L368 VanDerWaalsContact CA-O 3.28Å; T359-L368 WeakPolarHBondContact CA-O 3.34Å
360V91.6Very high80.5Confident0 Ų064.4 Ų64.40%035%0.345CS..EExtended strand (participates in β ladder)trans-101.1112.8177.1-177.70000108.4L326 V345 L358 V362 A367 L368 F370 I383L326-V360 HydrophobicContact CD1-CG2 4.44Å; V345-V360 HydrophobicContact CG1-CG1 3.64Å; V345-V360 HydrophobicContact CG2-CG1 4.15Å; L358-V360 HydrophobicContact CD2-CG2 4.27Å; L358-V360 HydrophobicContact CG-CG2 4.23Å; V360-V362 HydrophobicContact CG1-CG2 4.37Å; V360-A367 CarbonylContact O-C 3.59Å; V360-A367 WeakPolarHBondContact O-CA 3.29Å; V360-L368 PolarHBondContact N-O 2.96Å; V360-L368 PolarHBondContact O-N 2.89Å; V360-F370 HydrophobicContact CB-CE2 4.35Å; V360-F370 HydrophobicContact CG2-CD2 4.18Å; V360-F370 HydrophobicContact CG2-CE2 3.88Å; V360-I383 HydrophobicContact CG2-CD1 4.45Å
361C90.4Very high81Confident23 Ų2361.7 Ų61.716%0.15534%0.336CS..EExtended strand (participates in β ladder)trans-92.4121.8-178.8-62.70000109.7I346 N347I346-C361 PolarHBondContact N-O 2.6Å; N347-C361 HydrophobicContact CB-CB 4.11Å; N347-C361 PolarHBondContact N-O 2.96Å; N347-C361 PolarHBondContact O-N 3.16Å
362V88.1Confident82.2Confident5 Ų564.4 Ų64.43%0.0335%0.345CS..EExtended strand (participates in β ladder)trans-112.7151.8-172.8-170.40000109.7I340 E344 V360 K365 R366I340-V362 HydrophobicContact CD1-CG2 3.87Å; I340-V362 HydrophobicContact CG2-CG1 4.28Å; I340-V362 HydrophobicContact CG2-CG2 4.39Å; E344-V362 HydrophobicContact CB-CG1 3.91Å; E344-V362 CarbonylContact O-C 3.24Å; E344-V362 WeakPolarHBondContact O-CA 3.45Å; E344-V362 WeakPolarHBondContact O-CG1 3.36Å; V360-V362 HydrophobicContact CG1-CG2 4.37Å; V362-K365 PolarHBondContact O-N 2.82Å; V362-R366 PolarHBondContact N-O 3.35Å; V362-R366 PolarHBondContact O-N 3.01Å
363R82.6Confident83.1Confident124 Ų12458.7 Ų58.747%0.46831%0.314SS..THydrogen-bonded Turntrans-51.7144.3172.3-165.7177.8-75.9142.6-10.8110.8E344 I346E344-R363 VanDerWaalsContact CD-NH1 3.28Å; E344-R363 PolarHBondContact O-N 2.87Å; E344-R363 IonicContact OE1-NH1 3.27Å; E344-R363 PolarHBondContact OE1-NH1 2.83Å; E344-R363 WeakPolarHBondContact OE2-CB 3.46Å; E344-R363 WeakPolarHBondContact OE2-CD 3.41Å; E344-R363 IonicContact OE2-CZ 3.24Å; E344-R363 IonicContact OE2-NE 3.88Å; E344-R363 IonicContact OE2-NH1 3.81Å; E344-R363 PolarHBondContact OE2-NH1 3.06Å; I346-R363 HydrophobicContact CD1-CB 4.05Å; I346-R363 HydrophobicContact CD1-CG 4.43Å; I346-R363 HydrophobicContact CG1-CB 4.46Å
364G72Confident84.2Confident64 Ų6462 Ų6266%0.6631%0.31SS*.THydrogen-bonded Turntrans8915.3-170.500000115.3R366G364-R366 VanDerWaalsContact C-N 3.31Å; G364-R366 PolarHBondContact O-N 3.18Å
365K63.3Low85Confident200 Ų20062.6 Ų62.687%0.8731%0.306SS*.THydrogen-bonded Turntrans62.229.7179.1-54.9-173178.7-171.20114.4V362V362-K365 PolarHBondContact O-N 2.82Å
366R75.6Confident85.8Confident64 Ų6461.5 Ų61.524%0.24230%0.295CS..EExtended strand (participates in β ladder)trans-96.3145.8173.1-78.3-176.1156.3-139.7-12.8111.1V362 G364 Y471 G472 S476V362-R366 PolarHBondContact N-O 3.35Å; V362-R366 PolarHBondContact O-N 3.01Å; G364-R366 VanDerWaalsContact C-N 3.31Å; G364-R366 PolarHBondContact O-N 3.18Å; R366-Y471 PolarHBondContact NH1-O 2.94Å; R366-Y471 PolarHBondContact NH2-O 3.35Å; R366-G472 VanDerWaalsContact NH2-N 3.14Å; R366-S476 WeakPolarHBondContact CD-OG 3.48Å; R366-S476 PolarHBondContact NH1-O 3.46Å
367A86.7Confident85.9Confident59 Ų5959.8 Ų59.849%0.48829%0.293SS..EExtended strand (participates in β ladder)trans-132.2115.8175.800000109.3T359 V360T359-A367 HydrophobicContact CG2-CB 3.83Å; V360-A367 CarbonylContact O-C 3.59Å; V360-A367 WeakPolarHBondContact O-CA 3.29Å
368L90.1Very high86Confident10 Ų1066.5 Ų66.55%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-85.6127.4171.7-63-166.7000109.2L306 I338 I340 T359 V360 F370 F478L306-L368 HydrophobicContact CD1-CB 4.18Å; L306-L368 HydrophobicContact CD1-CD2 4.41Å; I338-L368 HydrophobicContact CD1-CD1 3.8Å; I338-L368 HydrophobicContact CD1-CD2 3.99Å; I338-L368 HydrophobicContact CG2-CD1 4.42Å; I340-L368 HydrophobicContact CD1-CD1 3.33Å; I340-L368 HydrophobicContact CD1-CG 4.16Å; T359-L368 CarbonylContact C-O 3.55Å; T359-L368 VanDerWaalsContact CA-O 3.28Å; T359-L368 WeakPolarHBondContact CA-O 3.34Å; V360-L368 PolarHBondContact N-O 2.96Å; V360-L368 PolarHBondContact O-N 2.89Å; L368-F370 HydrophobicContact CB-CE2 3.79Å; L368-F370 HydrophobicContact CB-CZ 4.1Å; L368-F370 HydrophobicContact CD1-CE2 4.28Å; L368-F370 HydrophobicContact CD1-CZ 3.91Å; L368-F478 HydrophobicContact CD2-CE2 3.77Å; L368-F478 HydrophobicContact CD2-CZ 3.54Å
369R91.3Very high85.9Confident136 Ų13666.5 Ų66.551%0.51332%0.316SS..EExtended strand (participates in β ladder)trans-108.6115.6177.4-178.9-178.2-66.2156.1-1.1109.9W307W307-R369 HydrophobicContact CB-CB 4.09Å; W307-R369 PolarHBondContact N-O 2.94Å
370F92.9Very high85.8Confident0 Ų066.1 Ų66.10%031%0.314CS..EExtended strand (participates in β ladder)trans-101.1148171.3-54.5-85.9000110F305 L306 I319 F328 A357 L358 V360 L368 V373F305-F370 CarbonylContact O-C 3.57Å; F305-F370 VanDerWaalsContact O-CA 3.3Å; F305-F370 WeakPolarHBondContact O-CA 3.27Å; L306-F370 HydrophobicContact CB-CD1 4.15Å; L306-F370 HydrophobicContact CB-CE1 4.17Å; L306-F370 HydrophobicContact CD1-CD1 4.05Å; L306-F370 HydrophobicContact CD1-CE1 3.74Å; L306-F370 HydrophobicContact CD1-CZ 4.1Å; L306-F370 HydrophobicContact CG-CE1 4.39Å; I319-F370 HydrophobicContact CD1-CB 4.04Å; I319-F370 HydrophobicContact CD1-CD1 3.61Å; I319-F370 HydrophobicContact CD1-CD2 4.29Å; I319-F370 HydrophobicContact CD1-CE1 4.09Å; I319-F370 HydrophobicContact CD1-CG 3.72Å; I319-F370 HydrophobicContact CG1-CD1 3.71Å; I319-F370 HydrophobicContact CG1-CE1 3.75Å; I319-F370 HydrophobicContact CG1-CG 4.31Å; I319-F370 HydrophobicContact CG1-CZ 4.38Å; F328-F370 HydrophobicContact CB-CE1 4.14Å; F328-F370 HydrophobicContact CD2-CD1 4.25Å; F328-F370 AromaticContact CD2-CE1 3.73Å; F328-F370 HydrophobicContact CD2-CE1 3.73Å; F328-F370 HydrophobicContact CE2-CE1 4.44Å; F328-F370 HydrophobicContact CG-CE1 4.09Å; A357-F370 CarbonylContact C-O 3.55Å; A357-F370 VanDerWaalsContact CA-O 3.25Å; A357-F370 WeakPolarHBondContact CA-O 3.45Å; A357-F370 WeakPolarHBondContact CB-O 3.46Å; L358-F370 HydrophobicContact CB-CB 4.35Å; L358-F370 PolarHBondContact N-O 3.08Å; L358-F370 PolarHBondContact O-N 3.33Å; V360-F370 HydrophobicContact CB-CE2 4.35Å; V360-F370 HydrophobicContact CG2-CD2 4.18Å; V360-F370 HydrophobicContact CG2-CE2 3.88Å; L368-F370 HydrophobicContact CB-CE2 3.79Å; L368-F370 HydrophobicContact CB-CZ 4.1Å; L368-F370 HydrophobicContact CD1-CE2 4.28Å; L368-F370 HydrophobicContact CD1-CZ 3.91Å; F370-V373 HydrophobicContact CB-CG2 3.84Å
371S92.1Very high85.7Confident23 Ų2369.9 Ų69.916%0.16133%0.334CS..EExtended strand (participates in β ladder)trans-140.6160-179.451.90000111.9F305 V373F305-S371 WeakPolarHBondContact CB-OG 3.22Å; F305-S371 PolarHBondContact N-O 3.06Å; F305-S371 PolarHBondContact O-N 3.48Å; F305-S371 PolarHBondContact O-OG 2.9Å; S371-V373 PolarHBondContact O-N 2.82Å
372E90Very high85.6Confident108 Ų10869.8 Ų69.851%0.50533%0.333SS..SBendtrans53.734.9-171.2-68.6-67.9176.600114.5F305 R356 R374F305-E372 HydrophobicContact CD2-CB 4.14Å; F305-E372 HydrophobicContact CE2-CB 4.48Å; R356-E372 WeakPolarHBondContact CD-OE2 3.29Å; R356-E372 IonicContact NH1-OE2 2.84Å; R356-E372 PolarHBondContact NH1-OE2 3.43Å; R356-E372 PolarHBondContact O-N 2.84Å; E372-R374 PolarHBondContact O-N 3.03Å
373V87.9Confident85.7Confident2 Ų269.6 Ų69.61%0.01233%0.331CS..  trans-78.6121.3-178.5-167.80000109.9H302 I319 R356 F370 S371 L379H302-V373 HydrophobicContact CB-CG1 4.16Å; I319-V373 HydrophobicContact CD1-CG1 4.39Å; I319-V373 HydrophobicContact CD1-CG2 4.33Å; R356-V373 PolarHBondContact O-N 2.82Å; R356-V373 VanDerWaalsContact O-N 3.08Å; F370-V373 HydrophobicContact CB-CG2 3.84Å; S371-V373 PolarHBondContact O-N 2.82Å; V373-L379 HydrophobicContact CG1-CD2 3.66Å
374R85.2Confident85.9Confident175 Ų17568.4 Ų68.466%0.6633%0.327SS*.THydrogen-bonded Turntrans-65.2142.9170.6-61.1-170.7-168-173.510.1109.7H302 E303 E372 Y376H302-R374 PolarHBondContact ND1-O 2.81Å; E303-R374 IonicContact OE2-NH2 3.16Å; E372-R374 PolarHBondContact O-N 3.03Å; R374-Y376 PolarHBondContact O-N 3.16Å
375D84Confident86.6Confident116 Ų11668.8 Ų68.862%0.6232%0.319SS*.THydrogen-bonded Turntrans47.632.5-178.8-58.4-29.8000115.1Q377 R378 L379D375-Q377 PolarHBondContact O-N 3.04Å; D375-R378 HydrophobicContact CB-CB 4.33Å; D375-R378 WeakPolarHBondContact O-CA 3.47Å; D375-R378 WeakPolarHBondContact O-CB 3.5Å; D375-R378 PolarHBondContact O-N 2.87Å; D375-L379 PolarHBondContact O-N 2.92Å
376Y85.5Confident87.5Confident22 Ų2261.8 Ų61.89%0.08629%0.288CS..Hα-helixtrans-50.2-28.2-17581.5-73.5000114.3K350 S353 R374 A380K350-Y376 HydrophobicContact CG-CE2 4.5Å; S353-Y376 PolarHBondContact O-OH 3.11Å; R374-Y376 PolarHBondContact O-N 3.16Å; Y376-A380 WeakPolarHBondContact O-CB 3.26Å; Y376-A380 PolarHBondContact O-N 2.84Å
377Q86.4Confident87.6Confident107 Ų10760 Ų6050%0.528%0.284SS..Hα-helixtrans-67.5-41.9175.5-60-170.93.800112.8D375 N381D375-Q377 PolarHBondContact O-N 3.04Å; Q377-N381 PolarHBondContact O-N 2.89Å; Q377-N381 PolarHBondContact O-ND2 2.92Å; Q377-N381 PolarHBondContact O-OD1 2.87Å
378R88.5Confident86.4Confident150 Ų15059.6 Ų59.657%0.56629%0.287SS*.Hα-helixtrans-63.4-55.6173.1173.2-178165.6164.4-0.1108.7E300 D375 A380 N381 T382E300-R378 IonicContact OE1-CZ 2.76Å; E300-R378 IonicContact OE1-NE 3.66Å; E300-R378 PolarHBondContact OE1-NE 3.47Å; E300-R378 IonicContact OE1-NH2 2.73Å; E300-R378 PolarHBondContact OE1-NH2 3.38Å; E300-R378 IonicContact OE2-NE 3.89Å; D375-R378 HydrophobicContact CB-CB 4.33Å; D375-R378 WeakPolarHBondContact O-CA 3.47Å; D375-R378 WeakPolarHBondContact O-CB 3.5Å; D375-R378 PolarHBondContact O-N 2.87Å; R378-A380 VanDerWaalsContact C-N 3.31Å; R378-A380 PolarHBondContact O-N 3.38Å; R378-N381 CarbonylContact O-C 3.56Å; R378-N381 WeakPolarHBondContact O-CA 3.11Å; R378-N381 WeakPolarHBondContact O-CB 3.43Å; R378-N381 PolarHBondContact O-N 3.4Å; R378-T382 PolarHBondContact O-N 2.87Å; R378-T382 PolarHBondContact O-OG1 2.83Å
379L89.1Confident84.7Confident0 Ų065.7 Ų65.70%032%0.318CS..Hα-helixtrans-53.2-47.6-179.6-179.861.5000112.3H302 I319 L321 L358 V373 D375 N381 T382 I383H302-L379 HydrophobicContact CB-CD2 4.39Å; I319-L379 HydrophobicContact CD1-CD2 3.89Å; I319-L379 HydrophobicContact CG2-CD2 4.48Å; L321-L379 HydrophobicContact CD1-CD1 3.35Å; L321-L379 HydrophobicContact CG-CD1 3.94Å; L358-L379 HydrophobicContact CD2-CD2 3.75Å; L358-L379 HydrophobicContact CD2-CG 4.01Å; V373-L379 HydrophobicContact CG1-CD2 3.66Å; D375-L379 PolarHBondContact O-N 2.92Å; L379-N381 PolarHBondContact O-N 3.47Å; L379-T382 WeakPolarHBondContact O-CB 3.48Å; L379-T382 PolarHBondContact O-N 3.23Å; L379-I383 HydrophobicContact CD1-CD1 3.93Å; L379-I383 HydrophobicContact CD1-CG1 4.19Å; L379-I383 HydrophobicContact CG-CD1 3.85Å; L379-I383 VanDerWaalsContact O-CG1 3.32Å; L379-I383 WeakPolarHBondContact O-CG1 3.44Å; L379-I383 PolarHBondContact O-N 3.09Å
380A88.6Confident82.5Confident0 Ų062.4 Ų62.40%032%0.315CS..Hα-helixtrans-62.8-25.9178.100000114.2V348 K350 L358 Y376 R378 R384V348-A380 HydrophobicContact CG1-CB 3.99Å; K350-A380 HydrophobicContact CD-CB 4.42Å; K350-A380 HydrophobicContact CG-CB 4.37Å; L358-A380 HydrophobicContact CD1-CB 3.49Å; L358-A380 VanDerWaalsContact CD1-CB 3.49Å; Y376-A380 WeakPolarHBondContact O-CB 3.26Å; Y376-A380 PolarHBondContact O-N 2.84Å; R378-A380 VanDerWaalsContact C-N 3.31Å; R378-A380 PolarHBondContact O-N 3.38Å; A380-R384 WeakPolarHBondContact O-CB 3.4Å; A380-R384 PolarHBondContact O-N 3Å; A380-R384 PolarHBondContact O-NH1 3.37Å; A380-R384 VanDerWaalsContact O-NH1 3.14Å
381N88.4Confident79.7Confident80 Ų8065.4 Ų65.443%0.42834%0.34SS..Hα-helixtrans-84.7-41.9176-64.1-4.2000110.2K350 Q377 R378 L379 I383 R384 S385K350-N381 PolarHBondContact NZ-OD1 3.09Å; Q377-N381 PolarHBondContact O-N 2.89Å; Q377-N381 PolarHBondContact O-ND2 2.92Å; Q377-N381 PolarHBondContact O-OD1 2.87Å; R378-N381 CarbonylContact O-C 3.56Å; R378-N381 WeakPolarHBondContact O-CA 3.11Å; R378-N381 WeakPolarHBondContact O-CB 3.43Å; R378-N381 PolarHBondContact O-N 3.4Å; L379-N381 PolarHBondContact O-N 3.47Å; N381-I383 VanDerWaalsContact C-N 3.3Å; N381-I383 PolarHBondContact O-N 3.16Å; N381-R384 PolarHBondContact O-N 2.97Å; N381-R384 PolarHBondContact OD1-NH1 3.36Å; N381-R384 VanDerWaalsContact OD1-NH1 3.14Å; N381-S385 WeakPolarHBondContact O-CB 3.45Å; N381-S385 PolarHBondContact O-N 3.46Å; N381-S385 PolarHBondContact O-OG 3.46Å
382T89.3Confident76.9Confident21 Ų2168.5 Ų68.513%0.12936%0.362CS..Hα-helixtrans-55.8-39.3173.2-590000112.8L321 R378 L379 S385 R386L321-T382 HydrophobicContact CD1-CG2 3.62Å; R378-T382 PolarHBondContact O-N 2.87Å; R378-T382 PolarHBondContact O-OG1 2.83Å; L379-T382 WeakPolarHBondContact O-CB 3.48Å; L379-T382 PolarHBondContact O-N 3.23Å; T382-S385 PolarHBondContact O-OG 3.38Å; T382-S385 VanDerWaalsContact O-OG 3.08Å; T382-R386 VanDerWaalsContact CG2-NH1 3.25Å; T382-R386 PolarHBondContact O-NH1 2.95Å; T382-R386 VanDerWaalsContact O-NH1 3.12Å
383I89.4Confident74.2Confident0 Ų068.8 Ų68.80%037%0.373CS..Hα-helixtrans-73.1-51.3173.7-60.3160.4000109.8L321 L326 M342 V345 V348 L358 V360 L379 N381 S385 R386 C387L321-I383 HydrophobicContact CD1-CG1 4.12Å; L321-I383 HydrophobicContact CD2-CG1 4.2Å; L326-I383 HydrophobicContact CD1-CD1 3.51Å; L326-I383 HydrophobicContact CD1-CG1 3.99Å; M342-I383 HydrophobicContact SD-CG2 4.22Å; V345-I383 HydrophobicContact CG1-CG2 4.26Å; V348-I383 HydrophobicContact CG2-CB 4.11Å; V348-I383 HydrophobicContact CG2-CG2 3.55Å; L358-I383 HydrophobicContact CD2-CD1 3.91Å; V360-I383 HydrophobicContact CG2-CD1 4.45Å; L379-I383 HydrophobicContact CD1-CD1 3.93Å; L379-I383 HydrophobicContact CD1-CG1 4.19Å; L379-I383 HydrophobicContact CG-CD1 3.85Å; L379-I383 VanDerWaalsContact O-CG1 3.32Å; L379-I383 WeakPolarHBondContact O-CG1 3.44Å; L379-I383 PolarHBondContact O-N 3.09Å; N381-I383 VanDerWaalsContact C-N 3.3Å; N381-I383 PolarHBondContact O-N 3.16Å; I383-S385 PolarHBondContact O-N 3.45Å; I383-R386 WeakPolarHBondContact O-CA 3.42Å; I383-R386 PolarHBondContact O-N 3.4Å; I383-C387 PolarHBondContact O-N 3.49Å; I383-C387 PolarHBondContact O-SG 2.93Å
384R88.3Confident71.5Confident99 Ų9976.7 Ų76.737%0.37441%0.41SS..Hα-helixtrans-59.5-31.2-177.5-169.2-178.2-57.288.113.7113.2V348 A380 N381 R386V348-R384 PolarHBondContact O-NH2 2.87Å; A380-R384 WeakPolarHBondContact O-CB 3.4Å; A380-R384 PolarHBondContact O-N 3Å; A380-R384 PolarHBondContact O-NH1 3.37Å; A380-R384 VanDerWaalsContact O-NH1 3.14Å; N381-R384 PolarHBondContact O-N 2.97Å; N381-R384 PolarHBondContact OD1-NH1 3.36Å; N381-R384 VanDerWaalsContact OD1-NH1 3.14Å; R384-R386 VanDerWaalsContact C-N 3.26Å; R384-R386 PolarHBondContact O-N 3.16Å
385S85.7Confident69Low72 Ų7275.1 Ų75.150%0.50341%0.41SS..THydrogen-bonded Turntrans-74-13.1175.163.10000114.1N381 T382 I383 I389N381-S385 WeakPolarHBondContact O-CB 3.45Å; N381-S385 PolarHBondContact O-N 3.46Å; N381-S385 PolarHBondContact O-OG 3.46Å; T382-S385 PolarHBondContact O-OG 3.38Å; T382-S385 VanDerWaalsContact O-OG 3.08Å; I383-S385 PolarHBondContact O-N 3.45Å; S385-I389 VanDerWaalsContact O-CD1 3.25Å; S385-I389 WeakPolarHBondContact O-CD1 3.47Å
386R83Confident66.3Low54 Ų5474.3 Ų74.320%0.20441%0.413CS..THydrogen-bonded Turntrans-106.3-21.1176.7-70.5179.117478.6-0.9113.3E323 M342 T382 I383 R384 G388E323-R386 VanDerWaalsContact CD-NE 3.32Å; E323-R386 IonicContact OE1-CZ 3.2Å; E323-R386 IonicContact OE1-NE 3.45Å; E323-R386 PolarHBondContact OE1-NE 3.33Å; E323-R386 IonicContact OE1-NH2 2.76Å; E323-R386 IonicContact OE2-CZ 2.72Å; E323-R386 VanDerWaalsContact OE2-CZ 3.26Å; E323-R386 IonicContact OE2-NE 3.53Å; E323-R386 PolarHBondContact OE2-NE 3.15Å; E323-R386 IonicContact OE2-NH2 3.6Å; E323-R386 PolarHBondContact OE2-NH2 3.42Å; M342-R386 HydrophobicContact CG-CB 4.3Å; M342-R386 HydrophobicContact SD-CB 4.23Å; T382-R386 VanDerWaalsContact CG2-NH1 3.25Å; T382-R386 PolarHBondContact O-NH1 2.95Å; T382-R386 VanDerWaalsContact O-NH1 3.12Å; I383-R386 WeakPolarHBondContact O-CA 3.42Å; I383-R386 PolarHBondContact O-N 3.4Å; R384-R386 VanDerWaalsContact C-N 3.26Å; R384-R386 PolarHBondContact O-N 3.16Å; R386-G388 PolarHBondContact O-N 3.31Å
387C76.1Confident63.6Low25 Ų2577.3 Ų77.317%0.16944%0.442CS..THydrogen-bonded Turntrans-55.7135.1172.7-62.30000111.7V345 I383 I389V345-C387 WeakPolarHBondContact CG1-SG 3.35Å; I383-C387 PolarHBondContact O-N 3.49Å; I383-C387 PolarHBondContact O-SG 2.93Å; C387-I389 VanDerWaalsContact C-N 3.34Å; C387-I389 PolarHBondContact O-N 2.89Å
388G61.6Low60.9Low52 Ų5275.9 Ų75.954%0.53644%0.444SS..THydrogen-bonded Turntrans78.9-1.3167.100000117.3R386 S390R386-G388 PolarHBondContact O-N 3.31Å; G388-S390 VanDerWaalsContact C-N 3.33Å; G388-S390 PolarHBondContact O-N 3.14Å
389I55.7Low58.2Low138 Ų13873.3 Ų73.371%0.70845%0.449SS*.THydrogen-bonded Turntrans-72.2-23.1-177.7-66.1-178.2000113.2S385 C387S385-I389 VanDerWaalsContact O-CD1 3.25Å; S385-I389 WeakPolarHBondContact O-CD1 3.47Å; C387-I389 VanDerWaalsContact C-N 3.34Å; C387-I389 PolarHBondContact O-N 2.89Å
390S45Very low55.4Low66 Ų6681 Ų8146%0.46249%0.485SS..THydrogen-bonded Turntrans-120.147-173.6-161.90000113.7G388G388-S390 VanDerWaalsContact C-N 3.33Å; G388-S390 PolarHBondContact O-N 3.14Å
391A33.7Very low52.5Low63 Ų6384.2 Ų84.252%0.52151%0.512SS..  trans-109.582.9174.600000111.3
392S33.8Very low49.9Very low88 Ų8886.9 Ų86.962%0.61553%0.525SS*.  trans-68127.7165.9-177.40000110Q394S392-Q394 PolarHBondContact O-N 3.42Å
393P33.4Very low47.1Very low115 Ų11596 Ų9675%0.74756%0.557SS**THydrogen-bonded Turntrans-87.968.6-168.135.6-37.2000113
394Q31.3Very low44.1Very low168 Ų16898.2 Ų98.279%0.78558%0.58SS**THydrogen-bonded Turntrans-133.2-15.3172.4-71.8-165.7-16.800116.9S392S392-Q394 PolarHBondContact O-N 3.42Å
395H31.6Very low41.3Very low142 Ų142101.4 Ų101.466%0.65760%0.599SS**SBendtrans-95.58.5178.8-88.2-68.6000116A397H395-A397 PolarHBondContact O-N 2.58Å
396S27.2Very low38.7Very low99 Ų99104 Ų10469%0.69262%0.616SS**THydrogen-bonded Turntrans-71.9-4-179.249.10000115.3
397A28.9Very low36.1Very low84 Ų84110.3 Ų110.369%0.69465%0.647SS**THydrogen-bonded Turntrans-95.7-22-17600000115.2H395H395-A397 PolarHBondContact O-N 2.58Å
398S31.1Very low33.8Very low77 Ų77113.4 Ų113.454%0.53867%0.669SS.*SBendtrans-89.4-18.8-173.2560000114.7
399S30.4Very low32.3Very low96 Ų96119 Ų11967%0.67169%0.686SS**SBendtrans-86.9-13.2-176.6-167.60000114.3
400E30.3Very low31.2Very low161 Ų161119.2 Ų119.275%0.75269%0.687SS**SBendtrans-83.1-22.9175.8-67.6-162.4134.100113.4I402 R403E400-I402 PolarHBondContact O-N 2.84Å; E400-R403 PolarHBondContact O-N 3.42Å
401A28.3Very low30.4Very low68 Ų68122.5 Ų122.556%0.56270%0.7SS**G310 helixtrans-61.2-40-178.600000113.5R403 G404A401-R403 PolarHBondContact O-N 2.87Å; A401-R403 VanDerWaalsContact O-N 3.09Å; A401-G404 PolarHBondContact O-N 3.07Å
402I34.2Very low30Very low137 Ų137128 Ų12870%0.70371%0.714SS**G310 helixtrans-69.4-10.8-177.1-58.2175.3000112.2E400E400-I402 PolarHBondContact O-N 2.84Å
403R29.6Very low29.7Very low213 Ų213133.3 Ų133.380%0.80473%0.727SS**G310 helixtrans-92-9.4-179.6-129.2174.8-176.1-139.1-7.4114.5E400 A401E400-R403 PolarHBondContact O-N 3.42Å; A401-R403 PolarHBondContact O-N 2.87Å; A401-R403 VanDerWaalsContact O-N 3.09Å
404G27.8Very low29.4Very low46 Ų46136.4 Ų136.447%0.47473%0.731SS.*THydrogen-bonded Turntrans-84.9-31.2-176.300000115.3A401 C406A401-G404 PolarHBondContact O-N 3.07Å; G404-C406 PolarHBondContact O-N 3.19Å
405E28.9Very low29.2Very low165 Ų165135.5 Ų135.577%0.77173%0.731SS**THydrogen-bonded Turntrans-83.6-0.6-162.5-64.6-172.4138.400115.9
406C30.7Very low28.9Very low128 Ų128135.5 Ų135.587%0.86574%0.736SS**THydrogen-bonded Turntrans-102.512.7179.4-80.10000114.7G404G404-C406 PolarHBondContact O-N 3.19Å
407Q28.9Very low29.1Very low185 Ų185136 Ų13686%0.86474%0.737SS**SBendtrans-144.613.9-171.9-123.616112.900118.6
408S27.2Very low29Very low90 Ų90140.9 Ų140.963%0.62975%0.746SS**  trans-1274179.262.50000117I410S408-I410 PolarHBondContact O-N 3.15Å
409L29.9Very low28.8Very low171 Ų171145.1 Ų145.190%0.89576%0.762SS**  trans-81.338.1178.9-71.6175.2000114.7
410I33.9Very low28.7Very low141 Ų141147.6 Ų147.672%0.72377%0.773SS**SBendtrans-137.3120.9164.7-58-178.6000107.8S408S408-I410 PolarHBondContact O-N 3.15Å
411N27.6Very low28.7Very low136 Ų136146.3 Ų146.373%0.72778%0.777SS**SBendtrans78.185.8-177.8-47.2-33.8000116.3
412H24.8Very low28.7Very low179 Ų179151.1 Ų151.183%0.82979%0.792SS**  -175.9135.191.6-101.8-79.7000111.9
413F28.1Very low28.4Very low199 Ų199153.7 Ų153.787%0.87380%0.803SS**  trans-97.1163.1159.3-97.2-95.7000108.6
414E27.8Very low28.6Very low180 Ų180151 Ų15184%0.84181%0.81SS**  trans72.3134.5-179.8-54.6170.4167.600112.7
415D25.9Very low28.6Very low148 Ų148152.1 Ų152.179%0.79182%0.821SS**  cis-157.2157.816.4-141.1-11.8000114.1
416N24.8Very low28.5Very low143 Ų143153.7 Ų153.777%0.76583%0.829SS**  trans66.9130.2160-142.734.7000122.7
417P31.7Very low28.7Very low110 Ų110157 Ų15771%0.71483%0.828SS**  trans-114.3117.5176.237.1-24.5000114.7
418E27.7Very low28.6Very low185 Ų185155.3 Ų155.386%0.86483%0.825SS**  trans-171.5103.9161.2-113.1165.6-148.500109.7
419D27.2Very low28.9Very low166 Ų166157.3 Ų157.389%0.88883%0.834SS**SBendtrans15738.2155.7-91.5-16.5000115.3
420V28.1Very low29.4Very low149 Ų149153.3 Ų153.390%0.90382%0.82SS**  trans-13748.7164.4-157.10000112.4
421T30.6Very low29.8Very low134 Ų134155.7 Ų155.782%0.82283%0.825SS**  trans-133.380.2170.8-40.80000110.6
422L28.4Very low31.1Very low169 Ų169152.5 Ų152.589%0.88582%0.818SS**  trans176.1108.5154.9-99.8161.7000109.7
423M25.9Very low33Very low190 Ų190146.6 Ų146.694%0.93680%0.795SS**  trans165.449.5146.1-84.7-87.117100110.3
424V34.4Very low34.7Very low158 Ų158138.3 Ų138.396%0.95876%0.761SS**  trans-88113.2160.11740000107.4
425G28.4Very low36.8Very low68 Ų68135.2 Ų135.270%0.70176%0.755SS**  trans133.489.8163.300000115.9
426Q26.9Very low39.2Very low199 Ų199133.2 Ų133.293%0.9374%0.741SS**  trans-154145.2136-112.6163.510.300111
427K33.7Very low41.7Very low196 Ų196127.1 Ų127.185%0.85271%0.71SS**  trans-83.9113.6-175.7-70.5174.5171.1-178.90110.2
428D27.5Very low43.9Very low151 Ų151122 Ų12281%0.80768%0.676SS**  trans-160.755.6163.5-95.2-38.3000111.3
429T34Very low46.3Very low131 Ų131114 Ų11480%0.80464%0.639SS**THydrogen-bonded Turntrans-90.12-169430000116.4
430S40.8Very low48.4Very low88 Ų88109.6 Ų109.662%0.61562%0.619SS**THydrogen-bonded Turntrans-86.9-10.9-175.561.80000115.7
431K42.2Very low50.4Low190 Ų190106.2 Ų106.283%0.82660%0.598SS**SBendtrans-113.5-10.3-171.1-65.5-173.4179.7-179.10116
432A54.5Low52Low69 Ų69102.9 Ų102.957%0.5757%0.572SS**PPolyproline II helixtrans-81.8128.1-179.600000111.4R560A432-R560 PolarHBondContact O-NH1 3.22Å; A432-R560 PolarHBondContact O-NH2 2.93Å
433V64.3Low53.8Low56 Ų5698.2 Ų98.234%0.33955%0.546SS..PPolyproline II helixtrans-70.1136.5165.5175.60000108.4T435 Y517 E591V433-T435 PolarHBondContact O-N 3.02Å; V433-Y517 HydrophobicContact CG1-CE1 4.21Å; V433-E591 HydrophobicContact CG1-CB 3.96Å; V433-E591 HydrophobicContact CG1-CG 4.33Å
434S63.2Low55.2Low24 Ų2493.5 Ų93.517%0.16853%0.529CS..PPolyproline II helixtrans-71.2117.1177.8-168.80000110.7E436 E591S434-E436 VanDerWaalsContact C-N 3.27Å; S434-E436 PolarHBondContact OG-O 3.41Å; S434-E591 PolarHBondContact N-OE2 3.16Å
435T73.2Confident56.1Low115 Ų11591 Ų9171%0.70651%0.507SS*.SBendtrans-80.1-8.6176.851.20000113.5V433 K590V433-T435 PolarHBondContact O-N 3.02Å; T435-K590 VanDerWaalsContact O-CD 3.27Å; T435-K590 WeakPolarHBondContact O-CD 3.37Å
436E75.8Confident57.2Low107 Ų10794 Ų9450%0.551%0.507SS..SBendtrans-126161177.2-63.8-170.5-164.400111.4S434 T440 V441S434-E436 VanDerWaalsContact C-N 3.27Å; S434-E436 PolarHBondContact OG-O 3.41Å; E436-T440 PolarHBondContact OE2-OG1 2.99Å; E436-V441 HydrophobicContact CB-CG2 4.43Å
437A77.8Confident58.3Low14 Ų1490.5 Ų90.512%0.11650%0.499CS..  trans-74.4145.2174.700000110.4M439 T440 A589A437-M439 PolarHBondContact O-N 3Å; A437-M439 VanDerWaalsContact O-N 3.1Å; A437-T440 PolarHBondContact O-N 3.45Å; A437-T440 VanDerWaalsContact O-N 3.09Å; A437-T440 PolarHBondContact O-OG1 2.79Å; A437-A589 WeakPolarHBondContact CA-O 3.21Å; A437-A589 WeakPolarHBondContact CB-O 3.46Å
438L77.6Confident59Low2 Ų290 Ų901%0.0150%0.5CS..Hα-helixtrans-62.9-26.3-171.4-62.2176.3000112.9T440 V441 F442 A548 F549 L586 L587L438-T440 PolarHBondContact O-N 3.09Å; L438-V441 PolarHBondContact O-N 3.3Å; L438-F442 HydrophobicContact CB-CD2 4.24Å; L438-F442 HydrophobicContact CD2-CE2 4.17Å; L438-F442 VanDerWaalsContact O-CD2 3.31Å; L438-F442 WeakPolarHBondContact O-CD2 3.35Å; L438-F442 PolarHBondContact O-N 2.67Å; L438-A548 HydrophobicContact CB-CB 4.07Å; L438-A548 HydrophobicContact CD1-CB 4.17Å; L438-F549 HydrophobicContact CD1-CE1 4.04Å; L438-F549 HydrophobicContact CD1-CZ 3.85Å; L438-L586 WeakPolarHBondContact CB-O 3.13Å; L438-L586 HydrophobicContact CD1-CB 3.82Å; L438-L586 HydrophobicContact CG-CB 4.4Å; L438-L586 VanDerWaalsContact CG-O 3.3Å; L438-L586 WeakPolarHBondContact CG-O 3.2Å; L438-L586 PolarHBondContact N-O 2.53Å; L438-L587 HydrophobicContact CB-CD2 4.24Å
439M77.1Confident60.2Low17 Ų1789.1 Ų89.18%0.08450%0.495CS..Hα-helixtrans-63.8-34.1175.4-78.4-61.9-61.300114.2A437 V441 H443 L587 Y588 L723A437-M439 PolarHBondContact O-N 3Å; A437-M439 VanDerWaalsContact O-N 3.1Å; M439-V441 VanDerWaalsContact C-N 3.27Å; M439-V441 PolarHBondContact O-N 2.86Å; M439-H443 HydrophobicContact CE-CB 3.7Å; M439-H443 CarbonylContact O-C 3.52Å; M439-H443 WeakPolarHBondContact O-CA 3.33Å; M439-H443 PolarHBondContact O-N 3.44Å; M439-L587 WeakPolarHBondContact CB-O 3.37Å; M439-L587 HydrophobicContact CG-CB 3.87Å; M439-L587 HydrophobicContact CG-CD2 4.35Å; M439-L587 WeakPolarHBondContact CG-O 3.44Å; M439-L587 PolarHBondContact N-O 3.28Å; M439-L587 HydrophobicContact SD-CD2 4.38Å; M439-Y588 HydrophobicContact CG-CD1 4.46Å; M439-Y588 HydrophobicContact CG-CE1 4.14Å; M439-L723 HydrophobicContact CE-CD2 3.53Å; M439-L723 HydrophobicContact SD-CD2 4.34Å
440T71.6Confident61.2Low75 Ų7589 Ų8946%0.4649%0.489SS..Hα-helixtrans-69.3-31.1178.363.30000111.7E436 A437 L438E436-T440 PolarHBondContact OE2-OG1 2.99Å; A437-T440 PolarHBondContact O-N 3.45Å; A437-T440 VanDerWaalsContact O-N 3.09Å; A437-T440 PolarHBondContact O-OG1 2.79Å; L438-T440 PolarHBondContact O-N 3.09Å
441V70.1Confident62.6Low77 Ų7788.7 Ų88.747%0.46748%0.48SS..Hα-helixtrans-80.9-42.4-179.2-175.90000112.1E436 L438 M439E436-V441 HydrophobicContact CB-CG2 4.43Å; L438-V441 PolarHBondContact O-N 3.3Å; M439-V441 VanDerWaalsContact C-N 3.27Å; M439-V441 PolarHBondContact O-N 2.86Å
442F64.4Low63.9Low65 Ų6584.4 Ų84.429%0.28547%0.472SS..Hα-helixtrans-97.9-9.3-174-69.8-79.4000114.3L438 A548 S551L438-F442 HydrophobicContact CB-CD2 4.24Å; L438-F442 HydrophobicContact CD2-CE2 4.17Å; L438-F442 VanDerWaalsContact O-CD2 3.31Å; L438-F442 WeakPolarHBondContact O-CD2 3.35Å; L438-F442 PolarHBondContact O-N 2.67Å; F442-A548 HydrophobicContact CB-CB 4.45Å; F442-A548 HydrophobicContact CD2-CB 3.62Å; F442-A548 HydrophobicContact CE2-CB 4.07Å; F442-A548 HydrophobicContact CG-CB 4.01Å; F442-S551 WeakPolarHBondContact CZ-OG 3.42Å
443H65.6Low64.8Low71 Ų7184.3 Ų84.333%0.32946%0.459SS..SBendtrans-139.466.9174-153.543.7000111.8M439 Q445M439-H443 HydrophobicContact CE-CB 3.7Å; M439-H443 CarbonylContact O-C 3.52Å; M439-H443 WeakPolarHBondContact O-CA 3.33Å; M439-H443 PolarHBondContact O-N 3.44Å; H443-Q445 PolarHBondContact O-N 3.37Å
444P55.3Low65.3Low91 Ų9183.4 Ų83.459%0.59145%0.451SS*.  trans-59.8127.3173.926.2-34000110D446P444-D446 PolarHBondContact O-N 3.23Å
445Q55.1Low66Low104 Ų10487.1 Ų87.149%0.48647%0.468SS..  trans-73.6115.9-179.9-66.4-177.9-0.900110H443 V447 M454H443-Q445 PolarHBondContact O-N 3.37Å; Q445-V447 VanDerWaalsContact C-N 3.32Å; Q445-V447 WeakPolarHBondContact O-CG2 3.22Å; Q445-V447 PolarHBondContact O-N 3.46Å; Q445-M454 HydrophobicContact CB-CE 3.95Å; Q445-M454 HydrophobicContact CG-CE 4.16Å
446D49.6Very low66.3Low133 Ų13385.7 Ų85.771%0.71145%0.453SS*.  trans-69.387.5172.1-81.2-28.3000110.2P444 E448 N449P444-D446 PolarHBondContact O-N 3.23Å; D446-E448 PolarHBondContact O-N 3.19Å; D446-N449 PolarHBondContact O-N 2.94Å
447V50.7Low66.7Low124 Ų12481.5 Ų81.575%0.75243%0.433SS*.THydrogen-bonded Turntrans-56.9-20.6-173.6-172.10000113.4Q445Q445-V447 VanDerWaalsContact C-N 3.32Å; Q445-V447 WeakPolarHBondContact O-CG2 3.22Å; Q445-V447 PolarHBondContact O-N 3.46Å
448E49.3Very low67Low185 Ų18584.9 Ų84.986%0.86445%0.445SS*.THydrogen-bonded Turntrans-82.1-11.6-172.9-58.7-166.7154.400114.8D446D446-E448 PolarHBondContact O-N 3.19Å
449N51.1Low67.4Low133 Ų13390.5 Ų90.571%0.71147%0.473SS*.  trans-130.794.6178.1-77.3-60.4000112.9D446 D451D446-N449 PolarHBondContact O-N 2.94Å; N449-D451 PolarHBondContact O-N 3.5Å
450L55.9Low68Low128 Ų12890.9 Ų90.967%0.6747%0.474SS*.  trans-72.787.7176.9-78.7160.7000112.8M454L450-M454 HydrophobicContact CD2-CB 4.25Å
451D69.3Low68.9Low83 Ų8388.8 Ų88.844%0.44446%0.459SS..  trans-60.1144.5165-174-60.6000110.8N449 K453 M454 L455N449-D451 PolarHBondContact O-N 3.5Å; D451-K453 PolarHBondContact O-N 3.49Å; D451-K453 WeakPolarHBondContact OD1-CB 3.46Å; D451-K453 PolarHBondContact OD1-N 2.85Å; D451-M454 PolarHBondContact O-N 2.97Å; D451-L455 PolarHBondContact O-N 2.62Å; D451-L455 VanDerWaalsContact O-N 3.11Å
452P70.6Confident69.9Low100 Ų10090.4 Ų90.465%0.64946%0.461SS*.Hα-helixtrans-41.6-33.9167.9-30.833.3000116.2L455 K456P452-L455 PolarHBondContact O-N 3.48Å; P452-K456 PolarHBondContact O-N 3.5Å
453K72.9Confident71.2Confident66 Ų6689.8 Ų89.829%0.28747%0.465SS..Hα-helixtrans-65-47.2173.6-72.7177.9158.8-148.10112.5D451 L455 K456 E457 S721D451-K453 PolarHBondContact O-N 3.49Å; D451-K453 WeakPolarHBondContact OD1-CB 3.46Å; D451-K453 PolarHBondContact OD1-N 2.85Å; K453-L455 VanDerWaalsContact C-N 3.27Å; K453-L455 PolarHBondContact O-N 2.8Å; K453-K456 WeakPolarHBondContact O-CB 3.32Å; K453-K456 PolarHBondContact O-N 3.21Å; K453-K456 VanDerWaalsContact O-N 3.13Å; K453-E457 PolarHBondContact O-N 3.45Å; K453-E457 VanDerWaalsContact O-N 3.15Å; K453-S721 VanDerWaalsContact CD-O 3.32Å; K453-S721 WeakPolarHBondContact CD-O 3.17Å; K453-S721 WeakPolarHBondContact CE-O 3.2Å; K453-S721 PolarHBondContact NZ-O 3.43Å
454M74.7Confident72.6Confident38 Ų3886.5 Ų86.519%0.18745%0.45CS..Hα-helixtrans-64.3-33.9176.4-68.5-162.677.800111.9Q445 L450 D451 K456 E457 K458Q445-M454 HydrophobicContact CB-CE 3.95Å; Q445-M454 HydrophobicContact CG-CE 4.16Å; L450-M454 HydrophobicContact CD2-CB 4.25Å; D451-M454 PolarHBondContact O-N 2.97Å; M454-K456 VanDerWaalsContact C-N 3.34Å; M454-K456 PolarHBondContact O-N 3.2Å; M454-E457 PolarHBondContact O-N 3.41Å; M454-K458 WeakPolarHBondContact O-CG 3.4Å; M454-K458 PolarHBondContact O-N 3.09Å
455L78.1Confident74.4Confident101 Ų10185.2 Ų85.253%0.52944%0.438SS..Hα-helixtrans-62.8-39.8173.4-175.462.8000111.8D451 P452 K453 K458 M459D451-L455 PolarHBondContact O-N 2.62Å; D451-L455 VanDerWaalsContact O-N 3.11Å; P452-L455 PolarHBondContact O-N 3.48Å; K453-L455 VanDerWaalsContact C-N 3.27Å; K453-L455 PolarHBondContact O-N 2.8Å; L455-K458 PolarHBondContact O-N 3.25Å; L455-M459 WeakPolarHBondContact O-CG 3.49Å; L455-M459 PolarHBondContact O-N 2.8Å
456K79.9Confident76.2Confident86 Ų8685.3 Ų85.337%0.37444%0.441SS..Hα-helixtrans-62.9-44.6174.2-75.3-175.2174.1-1770112.4P452 K453 M454 K458 M459 K460 D720P452-K456 PolarHBondContact O-N 3.5Å; K453-K456 WeakPolarHBondContact O-CB 3.32Å; K453-K456 PolarHBondContact O-N 3.21Å; K453-K456 VanDerWaalsContact O-N 3.13Å; M454-K456 VanDerWaalsContact C-N 3.34Å; M454-K456 PolarHBondContact O-N 3.2Å; K456-K458 VanDerWaalsContact C-N 3.34Å; K456-K458 PolarHBondContact O-N 2.98Å; K456-M459 WeakPolarHBondContact O-CB 3.46Å; K456-M459 PolarHBondContact O-N 3.37Å; K456-M459 VanDerWaalsContact O-N 3.1Å; K456-K460 PolarHBondContact O-N 2.66Å; K456-D720 HydrophobicContact CD-CB 4.44Å; K456-D720 WeakPolarHBondContact CD-OD1 3.21Å; K456-D720 IonicContact NZ-OD1 3.17Å; K456-D720 PolarHBondContact NZ-OD1 2.88Å
457E84.6Confident78.2Confident18 Ų1879.3 Ų79.38%0.08441%0.408CS..Hα-helixtrans-58.3-45.6174.5-78.3-62.3111.200111.4K453 M454 M459 K460 E461 P492 E493 P722K453-E457 PolarHBondContact O-N 3.45Å; K453-E457 VanDerWaalsContact O-N 3.15Å; M454-E457 PolarHBondContact O-N 3.41Å; E457-M459 VanDerWaalsContact C-N 3.3Å; E457-M459 PolarHBondContact O-N 2.99Å; E457-K460 PolarHBondContact O-N 2.94Å; E457-K460 VanDerWaalsContact O-N 3.14Å; E457-K460 VanDerWaalsContact OE1-CD 3.3Å; E457-K460 WeakPolarHBondContact OE1-CD 3.28Å; E457-K460 IonicContact OE1-NZ 2.84Å; E457-K460 PolarHBondContact OE1-NZ 3.28Å; E457-E461 PolarHBondContact O-N 2.84Å; E457-P492 VanDerWaalsContact OE2-CA 3.22Å; E457-P492 WeakPolarHBondContact OE2-CA 3.47Å; E457-E493 PolarHBondContact OE2-N 3.34Å; E457-P722 HydrophobicContact CG-CB 4.4Å; E457-P722 HydrophobicContact CG-CG 4.09Å
458K82.7Confident80.2Confident86 Ų8674.2 Ų74.237%0.37438%0.376SS..Hα-helixtrans-60.6-35.5173.9-70-73.3153.9-154.50112.8M454 L455 K456 E461 Q462M454-K458 WeakPolarHBondContact O-CG 3.4Å; M454-K458 PolarHBondContact O-N 3.09Å; L455-K458 PolarHBondContact O-N 3.25Å; K456-K458 VanDerWaalsContact C-N 3.34Å; K456-K458 PolarHBondContact O-N 2.98Å; K458-E461 WeakPolarHBondContact CD-OE2 3.42Å; K458-E461 WeakPolarHBondContact CE-OE2 3.28Å; K458-E461 IonicContact NZ-OE1 3.82Å; K458-E461 PolarHBondContact NZ-OE1 2.94Å; K458-E461 IonicContact NZ-OE2 2.83Å; K458-E461 PolarHBondContact NZ-OE2 2.71Å; K458-E461 PolarHBondContact O-N 3.4Å; K458-Q462 WeakPolarHBondContact O-CG 3.32Å; K458-Q462 PolarHBondContact O-N 2.94Å
459M86.4Confident82Confident120 Ų12069.9 Ų69.959%0.59137%0.367SS*.Hα-helixtrans-68.4-37.3174.3-71.617870.100112.9L455 K456 E457 S463L455-M459 WeakPolarHBondContact O-CG 3.49Å; L455-M459 PolarHBondContact O-N 2.8Å; K456-M459 WeakPolarHBondContact O-CB 3.46Å; K456-M459 PolarHBondContact O-N 3.37Å; K456-M459 VanDerWaalsContact O-N 3.1Å; E457-M459 VanDerWaalsContact C-N 3.3Å; E457-M459 PolarHBondContact O-N 2.99Å; M459-S463 PolarHBondContact O-N 3.33Å; M459-S463 PolarHBondContact O-OG 3.29Å
460K89.8Confident83.7Confident25 Ų2566.6 Ų66.611%0.10935%0.347CS..Hα-helixtrans-64.6-46.3171.8-64.9169.7-179.6160.30110.5K456 E457 Q462 S463 W464 P492K456-K460 PolarHBondContact O-N 2.66Å; E457-K460 PolarHBondContact O-N 2.94Å; E457-K460 VanDerWaalsContact O-N 3.14Å; E457-K460 VanDerWaalsContact OE1-CD 3.3Å; E457-K460 WeakPolarHBondContact OE1-CD 3.28Å; E457-K460 IonicContact OE1-NZ 2.84Å; E457-K460 PolarHBondContact OE1-NZ 3.28Å; K460-Q462 PolarHBondContact O-N 3.1Å; K460-S463 WeakPolarHBondContact O-CB 3.23Å; K460-S463 PolarHBondContact O-N 2.89Å; K460-S463 VanDerWaalsContact O-N 3.11Å; K460-W464 PolarHBondContact O-N 3.46Å; K460-P492 HydrophobicContact CB-CB 4.43Å; K460-P492 HydrophobicContact CB-CG 3.68Å
461E90.8Very high85.3Confident30 Ų3060.9 Ų60.914%0.1432%0.316CS..Hα-helixtrans-55.5-46.7175.5-73.4-177.1169.400112.1E457 K458 S463 W464 N465 P492 S494E457-E461 PolarHBondContact O-N 2.84Å; K458-E461 WeakPolarHBondContact CD-OE2 3.42Å; K458-E461 WeakPolarHBondContact CE-OE2 3.28Å; K458-E461 IonicContact NZ-OE1 3.82Å; K458-E461 PolarHBondContact NZ-OE1 2.94Å; K458-E461 IonicContact NZ-OE2 2.83Å; K458-E461 PolarHBondContact NZ-OE2 2.71Å; K458-E461 PolarHBondContact O-N 3.4Å; E461-S463 VanDerWaalsContact C-N 3.32Å; E461-S463 PolarHBondContact O-N 3.36Å; E461-W464 PolarHBondContact O-N 2.78Å; E461-N465 PolarHBondContact O-N 2.85Å; E461-N465 PolarHBondContact O-ND2 3.3Å; E461-P492 HydrophobicContact CB-CG 4.49Å; E461-P492 HydrophobicContact CG-CB 3.74Å; E461-P492 HydrophobicContact CG-CG 3.98Å; E461-S494 WeakPolarHBondContact OE1-CB 3.46Å; E461-S494 PolarHBondContact OE1-OG 3.25Å
462Q91.2Very high86.1Confident112 Ų11257 Ų5752%0.52330%0.297SS..Hα-helixtrans-63.6-37.4177.1-69.6-60.7-24.800112.4K458 K460 W464 N465 I466K458-Q462 WeakPolarHBondContact O-CG 3.32Å; K458-Q462 PolarHBondContact O-N 2.94Å; K460-Q462 PolarHBondContact O-N 3.1Å; Q462-W464 VanDerWaalsContact C-N 3.34Å; Q462-W464 PolarHBondContact O-N 3.38Å; Q462-N465 PolarHBondContact O-N 2.97Å; Q462-I466 VanDerWaalsContact O-CG1 3.32Å; Q462-I466 WeakPolarHBondContact O-CG1 3.27Å; Q462-I466 PolarHBondContact O-N 3.46Å
463S92.4Very high87Confident52 Ų5257.3 Ų57.336%0.36429%0.285SS..Hα-helixtrans-62.8-40.6175.4-57.10000111.8M459 K460 E461 H467M459-S463 PolarHBondContact O-N 3.33Å; M459-S463 PolarHBondContact O-OG 3.29Å; K460-S463 WeakPolarHBondContact O-CB 3.23Å; K460-S463 PolarHBondContact O-N 2.89Å; K460-S463 VanDerWaalsContact O-N 3.11Å; E461-S463 VanDerWaalsContact C-N 3.32Å; E461-S463 PolarHBondContact O-N 3.36Å; S463-H467 PolarHBondContact O-N 3.35Å
464W94.4Very high87.7Confident2 Ų255.2 Ų55.21%0.00828%0.282CS..Hα-helixtrans-68.3-39.6173-82.498.4000112.9K460 E461 Q462 I466 H467 F468 T483 L486 I487 V491 L495 L499 F503K460-W464 PolarHBondContact O-N 3.46Å; E461-W464 PolarHBondContact O-N 2.78Å; Q462-W464 VanDerWaalsContact C-N 3.34Å; Q462-W464 PolarHBondContact O-N 3.38Å; W464-I466 VanDerWaalsContact C-N 3.35Å; W464-I466 PolarHBondContact O-N 2.95Å; W464-H467 CarbonylContact O-C 3.44Å; W464-H467 WeakPolarHBondContact O-CB 3.21Å; W464-H467 PolarHBondContact O-N 3.32Å; W464-H467 VanDerWaalsContact O-N 3.15Å; W464-F468 HydrophobicContact CB-CE2 4.18Å; W464-F468 HydrophobicContact CB-CZ 4.4Å; W464-F468 HydrophobicContact CE3-CD1 4.47Å; W464-F468 AromaticContact CE3-CE1 3.69Å; W464-F468 HydrophobicContact CE3-CE1 3.69Å; W464-F468 AromaticContact CE3-CZ 3.78Å; W464-F468 HydrophobicContact CE3-CZ 3.78Å; W464-F468 HydrophobicContact CZ3-CE1 4.15Å; W464-F468 VanDerWaalsContact O-CD2 3.27Å; W464-F468 WeakPolarHBondContact O-CD2 3.42Å; W464-F468 WeakPolarHBondContact O-CG 3.35Å; W464-F468 PolarHBondContact O-N 2.91Å; W464-T483 HydrophobicContact CH2-CG2 4.33Å; W464-T483 HydrophobicContact CZ3-CG2 4.44Å; W464-L486 HydrophobicContact CD2-CD1 4.28Å; W464-L486 HydrophobicContact CE3-CD1 4.39Å; W464-L486 HydrophobicContact CH2-CB 4.3Å; W464-L486 HydrophobicContact CZ2-CB 3.75Å; W464-I487 HydrophobicContact CH2-CD1 4.13Å; W464-I487 HydrophobicContact CH2-CG1 3.69Å; W464-I487 HydrophobicContact CZ2-CG1 3.65Å; W464-V491 HydrophobicContact CZ2-CG2 4.15Å; W464-L495 HydrophobicContact CB-CD1 3.54Å; W464-L495 HydrophobicContact CG-CD1 3.82Å; W464-L499 HydrophobicContact CD2-CD1 4.01Å; W464-L499 HydrophobicContact CE3-CD1 3.92Å; W464-L499 HydrophobicContact CE3-CD2 4.39Å; W464-L499 HydrophobicContact CH2-CD1 3.82Å; W464-L499 HydrophobicContact CH2-CD2 4.36Å; W464-L499 HydrophobicContact CZ2-CD1 3.91Å; W464-L499 HydrophobicContact CZ3-CD1 3.82Å; W464-L499 HydrophobicContact CZ3-CD2 3.91Å; W464-F503 HydrophobicContact CH2-CE2 4.47Å; W464-F503 HydrophobicContact CH2-CZ 4.13Å; W464-F503 HydrophobicContact CZ3-CZ 4.5Å
465N93.3Very high88.2Confident64 Ų6454.9 Ų54.934%0.34228%0.282SS..Hα-helixtrans-62.3-40.1175.3-74.3-36.2000112.5E461 Q462 F468 S469E461-N465 PolarHBondContact O-N 2.85Å; E461-N465 PolarHBondContact O-ND2 3.3Å; Q462-N465 PolarHBondContact O-N 2.97Å; N465-F468 PolarHBondContact O-N 2.92Å; N465-S469 PolarHBondContact O-N 2.91Å
466I91.9Very high88.3Confident106 Ų10650.8 Ų50.854%0.54426%0.262SS..Hα-helixtrans-61.3-47.5171.8-67.2163.6000109.8Q462 W464 F468 S469 E470Q462-I466 VanDerWaalsContact O-CG1 3.32Å; Q462-I466 WeakPolarHBondContact O-CG1 3.27Å; Q462-I466 PolarHBondContact O-N 3.46Å; W464-I466 VanDerWaalsContact C-N 3.35Å; W464-I466 PolarHBondContact O-N 2.95Å; I466-F468 VanDerWaalsContact C-N 3.35Å; I466-F468 PolarHBondContact O-N 3.46Å; I466-S469 PolarHBondContact O-N 3.49Å; I466-S469 VanDerWaalsContact O-N 3.14Å; I466-S469 PolarHBondContact O-OG 3.09Å; I466-E470 PolarHBondContact O-N 3.22Å
467H92.2Very high88.8Confident6 Ų646.8 Ų46.83%0.02825%0.245CC..Hα-helixtrans-57.8-44.9176.1-168.775.5000112.1S463 W464 S469 E470 Y471 T483 L486S463-H467 PolarHBondContact O-N 3.35Å; W464-H467 CarbonylContact O-C 3.44Å; W464-H467 WeakPolarHBondContact O-CB 3.21Å; W464-H467 PolarHBondContact O-N 3.32Å; W464-H467 VanDerWaalsContact O-N 3.15Å; H467-S469 VanDerWaalsContact C-N 3.28Å; H467-S469 PolarHBondContact O-N 3.21Å; H467-E470 PolarHBondContact O-N 3.47Å; H467-Y471 AromaticContact CE1-CD2 3.24Å; H467-Y471 WeakPolarHBondContact CE1-CD2 3.38Å; H467-Y471 AromaticContact CE1-CE2 3.82Å; H467-Y471 AromaticContact CE1-CG 3.43Å; H467-Y471 VanDerWaalsContact CE1-CG 3.43Å; H467-Y471 AromaticContact CG-CD2 3.82Å; H467-Y471 AromaticContact ND1-CD2 3.17Å; H467-Y471 WeakPolarHBondContact ND1-CD2 3.42Å; H467-Y471 AromaticContact ND1-CE2 3.66Å; H467-Y471 AromaticContact ND1-CG 3.85Å; H467-Y471 AromaticContact NE2-CD2 3.92Å; H467-Y471 AromaticContact NE2-CG 3.8Å; H467-Y471 WeakPolarHBondContact O-CB 3.34Å; H467-Y471 WeakPolarHBondContact O-CD2 3.36Å; H467-Y471 PolarHBondContact O-N 2.89Å; H467-T483 PolarHBondContact CE1-OG1 3.37Å; H467-T483 VanDerWaalsContact CE1-OG1 3.22Å; H467-T483 PolarHBondContact NE2-OG1 3Å; H467-L486 HydrophobicContact CB-CD1 3.57Å
468F91.9Very high89Confident17 Ų1746 Ų468%0.07524%0.241CC..Hα-helixtrans-62.9-32177.6-65-31.6000113.2W464 N465 I466 G472 R473 M477 L495 L499W464-F468 HydrophobicContact CB-CE2 4.18Å; W464-F468 HydrophobicContact CB-CZ 4.4Å; W464-F468 HydrophobicContact CE3-CD1 4.47Å; W464-F468 AromaticContact CE3-CE1 3.69Å; W464-F468 HydrophobicContact CE3-CE1 3.69Å; W464-F468 AromaticContact CE3-CZ 3.78Å; W464-F468 HydrophobicContact CE3-CZ 3.78Å; W464-F468 HydrophobicContact CZ3-CE1 4.15Å; W464-F468 VanDerWaalsContact O-CD2 3.27Å; W464-F468 WeakPolarHBondContact O-CD2 3.42Å; W464-F468 WeakPolarHBondContact O-CG 3.35Å; W464-F468 PolarHBondContact O-N 2.91Å; N465-F468 PolarHBondContact O-N 2.92Å; I466-F468 VanDerWaalsContact C-N 3.35Å; I466-F468 PolarHBondContact O-N 3.46Å; F468-G472 WeakPolarHBondContact CA-O 3.33Å; F468-G472 WeakPolarHBondContact CD1-O 3.46Å; F468-G472 CarbonylContact O-C 3.58Å; F468-G472 WeakPolarHBondContact O-CA 3.45Å; F468-G472 PolarHBondContact O-N 2.94Å; F468-R473 HydrophobicContact CB-CB 4.12Å; F468-R473 HydrophobicContact CD1-CB 3.94Å; F468-R473 HydrophobicContact CD1-CG 3.97Å; F468-R473 HydrophobicContact CD2-CG 4.13Å; F468-R473 HydrophobicContact CE1-CB 4.47Å; F468-R473 HydrophobicContact CE1-CG 4.06Å; F468-R473 HydrophobicContact CE2-CG 4.22Å; F468-R473 HydrophobicContact CG-CB 3.96Å; F468-R473 HydrophobicContact CG-CG 4Å; F468-R473 HydrophobicContact CZ-CG 4.18Å; F468-M477 HydrophobicContact CD1-SD 4.26Å; F468-M477 HydrophobicContact CE1-SD 4.17Å; F468-L495 HydrophobicContact CE2-CD1 4.05Å; F468-L495 HydrophobicContact CZ-CD1 4.31Å; F468-L499 HydrophobicContact CE1-CD2 4.17Å; F468-L499 HydrophobicContact CZ-CD2 4.12Å
469S88.1Confident89.3Confident95 Ų9542.7 Ų42.766%0.66423%0.227SC*.Hα-helixtrans-68.4-36175.278.80000113N465 I466 H467N465-S469 PolarHBondContact O-N 2.91Å; I466-S469 PolarHBondContact O-N 3.49Å; I466-S469 VanDerWaalsContact O-N 3.14Å; I466-S469 PolarHBondContact O-OG 3.09Å; H467-S469 VanDerWaalsContact C-N 3.28Å; H467-S469 PolarHBondContact O-N 3.21Å
470E87Confident89.4Confident63 Ų6337.5 Ų37.529%0.29420%0.202SC..Hα-helixtrans-87.5-49.1-177.1-172.9-177.7168.200111.5F310 I466 H467 K482F310-E470 HydrophobicContact CB-CG 3.38Å; F310-E470 HydrophobicContact CG-CG 4.1Å; I466-E470 PolarHBondContact O-N 3.22Å; H467-E470 PolarHBondContact O-N 3.47Å; E470-K482 IonicContact OE1-NZ 2.72Å; E470-K482 PolarHBondContact OE1-NZ 3.01Å; E470-K482 IonicContact OE2-NZ 2.65Å; E470-K482 PolarHBondContact OE2-NZ 3.48Å
471Y88.2Confident89.3Confident8 Ų842.9 Ų42.93%0.03123%0.225CC..Hα-helixtrans-98.9-22.1-172-64.1-89000113.7F310 R366 H467 F478 T480 K482F310-Y471 AromaticContact CD1-CD1 3.8Å; F310-Y471 HydrophobicContact CD1-CD1 3.8Å; F310-Y471 AromaticContact CD1-CE1 3.76Å; F310-Y471 HydrophobicContact CD1-CE1 3.76Å; F310-Y471 HydrophobicContact CD1-CG 4.4Å; F310-Y471 HydrophobicContact CD2-CD1 4.46Å; F310-Y471 AromaticContact CD2-CE1 3.61Å; F310-Y471 HydrophobicContact CD2-CE1 3.61Å; F310-Y471 AromaticContact CD2-CZ 3.87Å; F310-Y471 AromaticContact CE1-CD1 3.37Å; F310-Y471 HydrophobicContact CE1-CD1 3.37Å; F310-Y471 AromaticContact CE1-CE1 3.47Å; F310-Y471 HydrophobicContact CE1-CE1 3.47Å; F310-Y471 VanDerWaalsContact CE1-CE1 3.47Å; F310-Y471 HydrophobicContact CE1-CG 4.29Å; F310-Y471 HydrophobicContact CE2-CD1 4.11Å; F310-Y471 AromaticContact CE2-CE1 3.32Å; F310-Y471 HydrophobicContact CE2-CE1 3.32Å; F310-Y471 HydrophobicContact CG-CD1 4.33Å; F310-Y471 AromaticContact CG-CE1 3.83Å; F310-Y471 HydrophobicContact CG-CE1 3.83Å; F310-Y471 AromaticContact CZ-CD1 3.54Å; F310-Y471 HydrophobicContact CZ-CD1 3.54Å; F310-Y471 AromaticContact CZ-CE1 3.24Å; F310-Y471 HydrophobicContact CZ-CE1 3.24Å; R366-Y471 PolarHBondContact NH1-O 2.94Å; R366-Y471 PolarHBondContact NH2-O 3.35Å; H467-Y471 AromaticContact CE1-CD2 3.24Å; H467-Y471 WeakPolarHBondContact CE1-CD2 3.38Å; H467-Y471 AromaticContact CE1-CE2 3.82Å; H467-Y471 AromaticContact CE1-CG 3.43Å; H467-Y471 VanDerWaalsContact CE1-CG 3.43Å; H467-Y471 AromaticContact CG-CD2 3.82Å; H467-Y471 AromaticContact ND1-CD2 3.17Å; H467-Y471 WeakPolarHBondContact ND1-CD2 3.42Å; H467-Y471 AromaticContact ND1-CE2 3.66Å; H467-Y471 AromaticContact ND1-CG 3.85Å; H467-Y471 AromaticContact NE2-CD2 3.92Å; H467-Y471 AromaticContact NE2-CG 3.8Å; H467-Y471 WeakPolarHBondContact O-CB 3.34Å; H467-Y471 WeakPolarHBondContact O-CD2 3.36Å; H467-Y471 PolarHBondContact O-N 2.89Å; Y471-F478 HydrophobicContact CD1-CB 4.25Å; Y471-F478 WeakPolarHBondContact O-CD2 3.42Å; Y471-F478 PolarHBondContact O-N 2.98Å; Y471-T480 HydrophobicContact CD1-CG2 3.69Å; Y471-T480 HydrophobicContact CE1-CG2 3.7Å; Y471-K482 HydrophobicContact CE2-CB 4.48Å; Y471-K482 HydrophobicContact CE2-CD 3.83Å; Y471-K482 WeakPolarHBondContact OH-CD 3.36Å; Y471-K482 WeakPolarHBondContact OH-CE 3.36Å; Y471-K482 PolarHBondContact OH-NZ 2.99Å
472G87.6Confident89.2Confident3 Ų346 Ų463%0.03124%0.238CC..  trans102.2174-177.300000113.8R366 F468 M477R366-G472 VanDerWaalsContact NH2-N 3.14Å; F468-G472 WeakPolarHBondContact CA-O 3.33Å; F468-G472 WeakPolarHBondContact CD1-O 3.46Å; F468-G472 CarbonylContact O-C 3.58Å; F468-G472 WeakPolarHBondContact O-CA 3.45Å; F468-G472 PolarHBondContact O-N 2.94Å; G472-M477 VanDerWaalsContact O-CG 3.23Å; G472-M477 WeakPolarHBondContact O-CG 3.44Å; G472-M477 VanDerWaalsContact O-SD 3.36Å
473R88.8Confident89.3Confident105 Ų10540.7 Ų40.740%0.39621%0.213SC..SBendtrans-132.8152.9178.9-168.6172.9178.1172.1-1.4109.8F468 E498F468-R473 HydrophobicContact CB-CB 4.12Å; F468-R473 HydrophobicContact CD1-CB 3.94Å; F468-R473 HydrophobicContact CD1-CG 3.97Å; F468-R473 HydrophobicContact CD2-CG 4.13Å; F468-R473 HydrophobicContact CE1-CB 4.47Å; F468-R473 HydrophobicContact CE1-CG 4.06Å; F468-R473 HydrophobicContact CE2-CG 4.22Å; F468-R473 HydrophobicContact CG-CB 3.96Å; F468-R473 HydrophobicContact CG-CG 4Å; F468-R473 HydrophobicContact CZ-CG 4.18Å; R473-E498 VanDerWaalsContact CG-OE1 3.28Å; R473-E498 WeakPolarHBondContact CG-OE1 3.37Å; R473-E498 IonicContact CZ-OE1 2.71Å; R473-E498 IonicContact CZ-OE2 2.89Å; R473-E498 IonicContact NE-OE1 3.21Å; R473-E498 PolarHBondContact NE-OE1 3.02Å; R473-E498 IonicContact NE-OE2 3.12Å; R473-E498 PolarHBondContact NE-OE2 2.84Å; R473-E498 IonicContact NH2-OE1 3.91Å; R473-E498 IonicContact NH2-OE2 3.25Å; R473-E498 PolarHBondContact NH2-OE2 2.84Å
474G87.6Confident89.2Confident23 Ų2341.9 Ų41.924%0.23721%0.21CC..G310 helixtrans62.5-152.9-177.500000113.7S476 M477 L502G474-S476 PolarHBondContact O-N 3.27Å; G474-M477 WeakPolarHBondContact O-CB 3.44Å; G474-M477 PolarHBondContact O-N 3.11Å; G474-L502 VanDerWaalsContact C-CD1 3.49Å; G474-L502 WeakPolarHBondContact O-CD1 3.43Å
475T84.8Confident89.1Confident30 Ų3044.4 Ų44.418%0.18422%0.224CC..G310 helixtrans-64.33.9-172.552.90000116.3P341 V507P341-T475 HydrophobicContact CG-CG2 4.28Å; T475-V507 HydrophobicContact CG2-CG1 4.2Å
476S81.3Confident89.2Confident16 Ų1642.5 Ų42.511%0.11221%0.213CC..G310 helixtrans-122.215.2174.669.40000113.2R366 G474R366-S476 WeakPolarHBondContact CD-OG 3.48Å; R366-S476 PolarHBondContact NH1-O 3.46Å; G474-S476 PolarHBondContact O-N 3.27Å
477M89Confident89.3Confident1 Ų137.5 Ų37.51%0.00519%0.188CC..  trans-71.4143.5174.6-171.4169.182.600111.5F468 G472 G474 F479 T483 L502 F503F468-M477 HydrophobicContact CD1-SD 4.26Å; F468-M477 HydrophobicContact CE1-SD 4.17Å; G472-M477 VanDerWaalsContact O-CG 3.23Å; G472-M477 WeakPolarHBondContact O-CG 3.44Å; G472-M477 VanDerWaalsContact O-SD 3.36Å; G474-M477 WeakPolarHBondContact O-CB 3.44Å; G474-M477 PolarHBondContact O-N 3.11Å; M477-F479 HydrophobicContact CE-CD1 3.72Å; M477-F479 HydrophobicContact CE-CE1 3.6Å; M477-T483 HydrophobicContact CE-CG2 3.84Å; M477-L502 HydrophobicContact CE-CD2 3.92Å; M477-L502 HydrophobicContact SD-CD2 4.43Å; M477-F503 HydrophobicContact CE-CE1 3.52Å; M477-F503 HydrophobicContact CE-CZ 4Å
478F89.3Confident89.3Confident3 Ų338.3 Ų38.31%0.01319%0.193CC..  trans-87.7115.8171.7-74.2-127.8000108.2L306 V308 P309 F310 C336 I338 L368 Y471 T480L306-F478 HydrophobicContact CD2-CE1 4.14Å; V308-F478 HydrophobicContact CG1-CD1 4.47Å; V308-F478 HydrophobicContact CG1-CE1 4.39Å; V308-F478 HydrophobicContact CG2-CE1 4.45Å; P309-F478 HydrophobicContact CG-CZ 4.15Å; F310-F478 HydrophobicContact CE1-CB 3.88Å; F310-F478 AromaticContact CE1-CD1 3.55Å; F310-F478 HydrophobicContact CE1-CD1 3.55Å; F310-F478 HydrophobicContact CE1-CE1 4.22Å; F310-F478 AromaticContact CE1-CG 3.81Å; F310-F478 HydrophobicContact CE1-CG 3.81Å; F310-F478 HydrophobicContact CZ-CB 4.31Å; F310-F478 AromaticContact CZ-CD1 3.96Å; F310-F478 HydrophobicContact CZ-CD1 3.96Å; F310-F478 HydrophobicContact CZ-CG 4.45Å; C336-F478 WeakPolarHBondContact SG-CD1 3.35Å; I338-F478 HydrophobicContact CD1-CD1 3.8Å; I338-F478 HydrophobicContact CD1-CD2 3.99Å; I338-F478 HydrophobicContact CD1-CE1 3.62Å; I338-F478 HydrophobicContact CD1-CE2 3.83Å; I338-F478 HydrophobicContact CD1-CG 3.98Å; I338-F478 HydrophobicContact CD1-CZ 3.64Å; I338-F478 HydrophobicContact CG1-CD1 4.3Å; I338-F478 HydrophobicContact CG1-CG 4.27Å; L368-F478 HydrophobicContact CD2-CE2 3.77Å; L368-F478 HydrophobicContact CD2-CZ 3.54Å; Y471-F478 HydrophobicContact CD1-CB 4.25Å; Y471-F478 WeakPolarHBondContact O-CD2 3.42Å; Y471-F478 PolarHBondContact O-N 2.98Å; F478-T480 HydrophobicContact CB-CG2 4.32Å
479F89.4Confident89.1Confident16 Ų1645.1 Ų45.17%0.0722%0.218CC..BIsolated β-bridgetrans-81.7123.5176.7-57-74.3000109.6C336 H337 I339 M477 L502 F503 Y675C336-F479 WeakPolarHBondContact CA-O 3.25Å; H337-F479 AromaticContact CD2-CD2 3.55Å; H337-F479 VanDerWaalsContact CE1-CB 3.42Å; H337-F479 WeakPolarHBondContact CE1-CB 3.43Å; H337-F479 PolarHBondContact N-O 2.96Å; H337-F479 VanDerWaalsContact N-O 3.13Å; H337-F479 WeakPolarHBondContact NE2-CB 3.41Å; H337-F479 AromaticContact NE2-CD2 3.55Å; H337-F479 AromaticContact NE2-CG 3.59Å; H337-F479 PolarHBondContact O-N 3.25Å; I339-F479 HydrophobicContact CD1-CE2 4.2Å; M477-F479 HydrophobicContact CE-CD1 3.72Å; M477-F479 HydrophobicContact CE-CE1 3.6Å; F479-L502 HydrophobicContact CE1-CG 4.39Å; F479-L502 HydrophobicContact CZ-CD1 4.45Å; F479-L502 HydrophobicContact CZ-CG 4.37Å; F479-F503 HydrophobicContact CD1-CD1 4.07Å; F479-F503 AromaticContact CD1-CE1 3.87Å; F479-F503 HydrophobicContact CD1-CE1 3.87Å; F479-F503 AromaticContact CE1-CD1 3.61Å; F479-F503 HydrophobicContact CE1-CD1 3.61Å; F479-F503 AromaticContact CE1-CE1 3.65Å; F479-F503 HydrophobicContact CE1-CE1 3.65Å; F479-Y675 HydrophobicContact CD1-CE2 4.25Å
480T88.9Confident89.2Confident11 Ų1140.7 Ų40.77%0.06719%0.187CC..  trans-142.8173.4-169.966.20000112.6F310 Y471 F478 K482 T483 R484 Y675F310-T480 HydrophobicContact CZ-CG2 4.01Å; Y471-T480 HydrophobicContact CD1-CG2 3.69Å; Y471-T480 HydrophobicContact CE1-CG2 3.7Å; F478-T480 HydrophobicContact CB-CG2 4.32Å; T480-K482 VanDerWaalsContact C-N 3.31Å; T480-K482 PolarHBondContact O-N 2.83Å; T480-K482 PolarHBondContact OG1-N 2.77Å; T480-T483 PolarHBondContact N-OG1 3.46Å; T480-T483 WeakPolarHBondContact O-CB 3.3Å; T480-T483 PolarHBondContact O-N 3.32Å; T480-T483 PolarHBondContact OG1-N 2.97Å; T480-T483 PolarHBondContact OG1-OG1 3.1Å; T480-T483 VanDerWaalsContact OG1-OG1 3.06Å; T480-R484 PolarHBondContact O-N 2.89Å; T480-Y675 PolarHBondContact O-OH 2.83Å
481K86.9Confident89.5Confident138 Ų13837.8 Ų37.860%0.617%0.174SC*.Hα-helixtrans-57.1-41.5169.5-172176.9177.1179.40112.5T483 R484 D485K481-T483 PolarHBondContact O-N 3.42Å; K481-R484 WeakPolarHBondContact O-CA 3.36Å; K481-R484 WeakPolarHBondContact O-CB 3.38Å; K481-R484 PolarHBondContact O-N 3.5Å; K481-D485 PolarHBondContact O-N 2.93Å
482K89.3Confident89.7Confident95 Ų9537.4 Ų37.441%0.41317%0.172SC..Hα-helixtrans-60-33.9177-69.2-159.9-162161.10112.4E470 Y471 T480 D485 L486E470-K482 IonicContact OE1-NZ 2.72Å; E470-K482 PolarHBondContact OE1-NZ 3.01Å; E470-K482 IonicContact OE2-NZ 2.65Å; E470-K482 PolarHBondContact OE2-NZ 3.48Å; Y471-K482 HydrophobicContact CE2-CB 4.48Å; Y471-K482 HydrophobicContact CE2-CD 3.83Å; Y471-K482 WeakPolarHBondContact OH-CD 3.36Å; Y471-K482 WeakPolarHBondContact OH-CE 3.36Å; Y471-K482 PolarHBondContact OH-NZ 2.99Å; T480-K482 VanDerWaalsContact C-N 3.31Å; T480-K482 PolarHBondContact O-N 2.83Å; T480-K482 PolarHBondContact OG1-N 2.77Å; K482-D485 PolarHBondContact O-N 2.86Å; K482-L486 PolarHBondContact O-N 3.02Å
483T92.3Very high89.8Confident0 Ų038.4 Ų38.40%018%0.176CC..Hα-helixtrans-63.2-45.9175.1-43.50000110.4W464 H467 M477 T480 K481 L486 I487 F503 Y675W464-T483 HydrophobicContact CH2-CG2 4.33Å; W464-T483 HydrophobicContact CZ3-CG2 4.44Å; H467-T483 PolarHBondContact CE1-OG1 3.37Å; H467-T483 VanDerWaalsContact CE1-OG1 3.22Å; H467-T483 PolarHBondContact NE2-OG1 3Å; M477-T483 HydrophobicContact CE-CG2 3.84Å; T480-T483 PolarHBondContact N-OG1 3.46Å; T480-T483 WeakPolarHBondContact O-CB 3.3Å; T480-T483 PolarHBondContact O-N 3.32Å; T480-T483 PolarHBondContact OG1-N 2.97Å; T480-T483 PolarHBondContact OG1-OG1 3.1Å; T480-T483 VanDerWaalsContact OG1-OG1 3.06Å; K481-T483 PolarHBondContact O-N 3.42Å; T483-L486 PolarHBondContact O-N 3.44Å; T483-I487 HydrophobicContact CG2-CD1 4.25Å; T483-I487 WeakPolarHBondContact O-CD1 3.42Å; T483-I487 VanDerWaalsContact O-CG1 3.32Å; T483-I487 WeakPolarHBondContact O-CG1 3.37Å; T483-I487 PolarHBondContact O-N 3.46Å; T483-F503 HydrophobicContact CG2-CE1 4.11Å; T483-F503 HydrophobicContact CG2-CZ 4Å; T483-Y675 HydrophobicContact CG2-CE2 3.76Å
484R91.6Very high89.8Confident77 Ų7736.7 Ų36.729%0.29118%0.18SC..Hα-helixtrans-60.5-45.3173.6-168.1-174.1-75.6156.411.4112.1T480 K481 L486 I487 V488 Y675 D676 Y753T480-R484 PolarHBondContact O-N 2.89Å; K481-R484 WeakPolarHBondContact O-CA 3.36Å; K481-R484 WeakPolarHBondContact O-CB 3.38Å; K481-R484 PolarHBondContact O-N 3.5Å; R484-L486 PolarHBondContact O-N 2.83Å; R484-I487 PolarHBondContact O-N 3.4Å; R484-V488 HydrophobicContact CG-CG2 4.41Å; R484-V488 WeakPolarHBondContact O-CG2 3.46Å; R484-V488 PolarHBondContact O-N 2.89Å; R484-Y675 HydrophobicContact CB-CD1 4.21Å; R484-Y675 HydrophobicContact CB-CE1 3.62Å; R484-Y675 HydrophobicContact CG-CD1 4.14Å; R484-Y675 HydrophobicContact CG-CE1 3.96Å; R484-D676 WeakPolarHBondContact CD-OD2 3.35Å; R484-D676 IonicContact CZ-OD1 2.73Å; R484-D676 IonicContact CZ-OD2 3.22Å; R484-D676 IonicContact NE-OD1 2.69Å; R484-D676 IonicContact NE-OD2 2.66Å; R484-D676 PolarHBondContact NE-OD2 2.85Å; R484-D676 IonicContact NH2-OD1 2.94Å; R484-D676 PolarHBondContact NH2-OD1 3.3Å; R484-Y753 HydrophobicContact CG-CE1 4.11Å
485D92Very high90.1Very high56 Ų5636.2 Ų36.230%0.29917%0.172SC..Hα-helixtrans-61.9-25-178.2-60.3-23.5000112.7K481 K482 R489K481-D485 PolarHBondContact O-N 2.93Å; K482-D485 PolarHBondContact O-N 2.86Å; D485-R489 WeakPolarHBondContact O-CD 3.4Å; D485-R489 VanDerWaalsContact O-CG 3.32Å; D485-R489 WeakPolarHBondContact O-CG 3.43Å; D485-R489 PolarHBondContact O-NE 3.34Å
486L94.1Very high90.6Very high23 Ų2335.1 Ų35.112%0.1217%0.165CC..Hα-helixtrans-79.8-38.2171.9-72.4172.9000112.5W464 H467 K482 T483 R484 R489 G490W464-L486 HydrophobicContact CD2-CD1 4.28Å; W464-L486 HydrophobicContact CE3-CD1 4.39Å; W464-L486 HydrophobicContact CH2-CB 4.3Å; W464-L486 HydrophobicContact CZ2-CB 3.75Å; H467-L486 HydrophobicContact CB-CD1 3.57Å; K482-L486 PolarHBondContact O-N 3.02Å; T483-L486 PolarHBondContact O-N 3.44Å; R484-L486 PolarHBondContact O-N 2.83Å; L486-R489 PolarHBondContact O-N 2.85Å; L486-R489 VanDerWaalsContact O-N 3.15Å; L486-G490 PolarHBondContact O-N 3.34Å
487I94.5Very high91.2Very high2 Ų234.7 Ų34.71%0.0116%0.163CC..Hα-helixtrans-67.8-40.2-179.7-65.9164.8000110.8W464 T483 R484 R489 G490 V491 F503 D671 Y675W464-I487 HydrophobicContact CH2-CD1 4.13Å; W464-I487 HydrophobicContact CH2-CG1 3.69Å; W464-I487 HydrophobicContact CZ2-CG1 3.65Å; T483-I487 HydrophobicContact CG2-CD1 4.25Å; T483-I487 WeakPolarHBondContact O-CD1 3.42Å; T483-I487 VanDerWaalsContact O-CG1 3.32Å; T483-I487 WeakPolarHBondContact O-CG1 3.37Å; T483-I487 PolarHBondContact O-N 3.46Å; R484-I487 PolarHBondContact O-N 3.4Å; I487-R489 PolarHBondContact O-N 2.88Å; I487-G490 WeakPolarHBondContact O-CA 3.45Å; I487-G490 PolarHBondContact O-N 3.04Å; I487-V491 HydrophobicContact CG1-CG2 4.35Å; I487-F503 HydrophobicContact CD1-CD2 4.35Å; I487-F503 HydrophobicContact CD1-CE1 4.44Å; I487-F503 HydrophobicContact CD1-CE2 3.52Å; I487-F503 HydrophobicContact CD1-CZ 3.59Å; I487-F503 HydrophobicContact CG1-CE2 4.28Å; I487-D671 HydrophobicContact CG2-CB 4.2Å; I487-D671 WeakPolarHBondContact CG2-O 3.42Å; I487-Y675 HydrophobicContact CD1-CD1 4.03Å; I487-Y675 HydrophobicContact CD1-CD2 3.23Å; I487-Y675 HydrophobicContact CD1-CE2 3.85Å; I487-Y675 HydrophobicContact CD1-CG 3.33Å
488V92.1Very high91.5Very high22 Ų2237.8 Ų37.813%0.13318%0.178CC..THydrogen-bonded Turntrans-60.2-24.6172.9168.70000112.6R484 G490 I749 R750 Y753R484-V488 HydrophobicContact CG-CG2 4.41Å; R484-V488 WeakPolarHBondContact O-CG2 3.46Å; R484-V488 PolarHBondContact O-N 2.89Å; V488-G490 VanDerWaalsContact C-N 3.32Å; V488-I749 HydrophobicContact CG1-CG2 4.2Å; V488-I749 HydrophobicContact CG2-CG2 4.45Å; V488-R750 HydrophobicContact CG1-CB 4.48Å; V488-Y753 HydrophobicContact CG2-CD1 4.24Å; V488-Y753 HydrophobicContact CG2-CD2 3.77Å; V488-Y753 HydrophobicContact CG2-CE1 4.33Å; V488-Y753 HydrophobicContact CG2-CE2 3.87Å; V488-Y753 HydrophobicContact CG2-CG 3.94Å
489R89.1Confident91.8Very high160 Ų16037.7 Ų37.760%0.60418%0.177SC*.THydrogen-bonded Turntrans-88.84.3174.5-61.2172.4-154.6-174.92.6113.5D485 L486 I487D485-R489 WeakPolarHBondContact O-CD 3.4Å; D485-R489 VanDerWaalsContact O-CG 3.32Å; D485-R489 WeakPolarHBondContact O-CG 3.43Å; D485-R489 PolarHBondContact O-NE 3.34Å; L486-R489 PolarHBondContact O-N 2.85Å; L486-R489 VanDerWaalsContact O-N 3.15Å; I487-R489 PolarHBondContact O-N 2.88Å
490G89.6Confident92.2Very high2 Ų237 Ų372%0.02117%0.174CC..  trans86.7138.9-176.500000113.7L486 I487 V488L486-G490 PolarHBondContact O-N 3.34Å; I487-G490 WeakPolarHBondContact O-CA 3.45Å; I487-G490 PolarHBondContact O-N 3.04Å; V488-G490 VanDerWaalsContact C-N 3.32Å
491V93.8Very high92.5Very high2 Ų236.8 Ų36.81%0.01217%0.172CC..  trans-85.7138.8174.3-179.20000109.5W464 I487 L495 R496 L499 D671W464-V491 HydrophobicContact CZ2-CG2 4.15Å; I487-V491 HydrophobicContact CG1-CG2 4.35Å; V491-L495 HydrophobicContact CG1-CB 4.12Å; V491-R496 HydrophobicContact CB-CG 4.03Å; V491-R496 HydrophobicContact CG1-CG 3.81Å; V491-R496 PolarHBondContact O-NH2 3.47Å; V491-L499 HydrophobicContact CG1-CD1 3.58Å; V491-D671 HydrophobicContact CB-CB 4.48Å; V491-D671 WeakPolarHBondContact CB-OD2 3.22Å; V491-D671 HydrophobicContact CG2-CB 3.86Å; V491-D671 PolarHBondContact N-OD2 3.41Å
492P92.2Very high92.9Very high0 Ų031 Ų310%015%0.148CC..  trans-59.7144.8172.6-16.124.3000111.8E457 K460 E461 S494 L495 R496E457-P492 VanDerWaalsContact OE2-CA 3.22Å; E457-P492 WeakPolarHBondContact OE2-CA 3.47Å; K460-P492 HydrophobicContact CB-CB 4.43Å; K460-P492 HydrophobicContact CB-CG 3.68Å; E461-P492 HydrophobicContact CB-CG 4.49Å; E461-P492 HydrophobicContact CG-CB 3.74Å; E461-P492 HydrophobicContact CG-CG 3.98Å; P492-S494 PolarHBondContact O-N 2.89Å; P492-S494 VanDerWaalsContact O-N 3.16Å; P492-L495 HydrophobicContact CB-CG 4.43Å; P492-L495 HydrophobicContact CG-CD1 3.99Å; P492-L495 HydrophobicContact CG-CG 4.31Å; P492-L495 PolarHBondContact O-N 2.98Å; P492-R496 PolarHBondContact O-N 2.87Å
493E88.4Confident93.1Very high24 Ų2427.1 Ų27.111%0.11213%0.131CC..G310 helixtrans-54.3-40.4-179.4-66.4-168.414600112.9E457 L495 R496 Y588 P722E457-E493 PolarHBondContact OE2-N 3.34Å; E493-L495 PolarHBondContact O-N 2.84Å; E493-R496 PolarHBondContact O-N 3.44Å; E493-Y588 HydrophobicContact CB-CE1 4.33Å; E493-Y588 HydrophobicContact CG-CE1 4.2Å; E493-P722 HydrophobicContact CG-CG 4.2Å; E493-P722 WeakPolarHBondContact OE1-CG 3.48Å; E493-P722 WeakPolarHBondContact OE2-CG 3.44Å
494S88.8Confident93.2Very high69 Ų6927.1 Ų27.148%0.48313%0.131SC..G310 helixtrans-66.1-18179.458.30000114.7E461 P492E461-S494 WeakPolarHBondContact OE1-CB 3.46Å; E461-S494 PolarHBondContact OE1-OG 3.25Å; P492-S494 PolarHBondContact O-N 2.89Å; P492-S494 VanDerWaalsContact O-N 3.16Å
495L94Very high93.2Very high13 Ų1324 Ų247%0.06812%0.123CC..G310 helixtrans-108.6-9.2-177.8-62.3-174.4000113.9W464 F468 V491 P492 E493 E498 L499W464-L495 HydrophobicContact CB-CD1 3.54Å; W464-L495 HydrophobicContact CG-CD1 3.82Å; F468-L495 HydrophobicContact CE2-CD1 4.05Å; F468-L495 HydrophobicContact CZ-CD1 4.31Å; V491-L495 HydrophobicContact CG1-CB 4.12Å; P492-L495 HydrophobicContact CB-CG 4.43Å; P492-L495 HydrophobicContact CG-CD1 3.99Å; P492-L495 HydrophobicContact CG-CG 4.31Å; P492-L495 PolarHBondContact O-N 2.98Å; E493-L495 PolarHBondContact O-N 2.84Å; L495-E498 PolarHBondContact O-N 2.83Å; L495-L499 HydrophobicContact CB-CD1 3.89Å; L495-L499 HydrophobicContact CB-CG 4.44Å; L495-L499 WeakPolarHBondContact O-CB 3.48Å; L495-L499 WeakPolarHBondContact O-CG 3.13Å; L495-L499 PolarHBondContact O-N 3.3Å
496R95.3Very high93.3Very high7 Ų721.3 Ų21.33%0.02611%0.108CC..Hα-helixtrans-57.1-54.2-176.2-81.2-175170.7125.63.8112.9V491 P492 E493 E498 L499 W500 Y588 N668 D671V491-R496 HydrophobicContact CB-CG 4.03Å; V491-R496 HydrophobicContact CG1-CG 3.81Å; V491-R496 PolarHBondContact O-NH2 3.47Å; P492-R496 PolarHBondContact O-N 2.87Å; E493-R496 PolarHBondContact O-N 3.44Å; R496-E498 PolarHBondContact O-N 3.16Å; R496-L499 PolarHBondContact O-N 2.86Å; R496-W500 HydrophobicContact CB-CD2 4.32Å; R496-W500 HydrophobicContact CB-CZ2 4.13Å; R496-W500 HydrophobicContact CG-CZ2 4.08Å; R496-W500 VanDerWaalsContact O-CB 3.27Å; R496-W500 WeakPolarHBondContact O-CB 3.36Å; R496-W500 PolarHBondContact O-N 2.9Å; R496-Y588 HydrophobicContact CB-CD1 4.15Å; R496-Y588 HydrophobicContact CB-CG 4.12Å; R496-N668 PolarHBondContact NH2-OD1 3.35Å; R496-D671 IonicContact CZ-OD2 2.78Å; R496-D671 IonicContact NE-OD1 3.33Å; R496-D671 PolarHBondContact NE-OD1 3.22Å; R496-D671 IonicContact NE-OD2 2.86Å; R496-D671 PolarHBondContact NE-OD2 2.94Å; R496-D671 VanDerWaalsContact NE-OD2 3.12Å; R496-D671 IonicContact NH2-OD2 3.87Å; R496-D671 PolarHBondContact NH2-OD2 3.42Å
497G94.9Very high93.3Very high7 Ų722.2 Ų22.27%0.07212%0.115CC..Hα-helixtrans-54.9-46.5179.400000113.4M501 Y588G497-M501 VanDerWaalsContact O-CB 3.27Å; G497-M501 WeakPolarHBondContact O-CB 3.29Å; G497-M501 WeakPolarHBondContact O-CG 3.5Å; G497-M501 PolarHBondContact O-N 2.98Å; G497-Y588 VanDerWaalsContact CA-O 3.22Å; G497-Y588 WeakPolarHBondContact CA-O 3.28Å; G497-Y588 PolarHBondContact N-O 3.05Å
498E94.9Very high93.1Very high67 Ų6722.7 Ų22.731%0.31312%0.117SC..Hα-helixtrans-63.2-48.6177.5-178.9-174.8160.100112.2R473 L495 R496 M501 L502R473-E498 VanDerWaalsContact CG-OE1 3.28Å; R473-E498 WeakPolarHBondContact CG-OE1 3.37Å; R473-E498 IonicContact CZ-OE1 2.71Å; R473-E498 IonicContact CZ-OE2 2.89Å; R473-E498 IonicContact NE-OE1 3.21Å; R473-E498 PolarHBondContact NE-OE1 3.02Å; R473-E498 IonicContact NE-OE2 3.12Å; R473-E498 PolarHBondContact NE-OE2 2.84Å; R473-E498 IonicContact NH2-OE1 3.91Å; R473-E498 IonicContact NH2-OE2 3.25Å; R473-E498 PolarHBondContact NH2-OE2 2.84Å; L495-E498 PolarHBondContact O-N 2.83Å; R496-E498 PolarHBondContact O-N 3.16Å; E498-M501 PolarHBondContact O-N 3.42Å; E498-L502 WeakPolarHBondContact O-CB 3.29Å; E498-L502 PolarHBondContact O-N 3.17Å
499L96.4Very high93Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-72.7-37.3-174.7-73.2172.7000111.9W464 F468 V491 L495 R496 L502 F503W464-L499 HydrophobicContact CD2-CD1 4.01Å; W464-L499 HydrophobicContact CE3-CD1 3.92Å; W464-L499 HydrophobicContact CE3-CD2 4.39Å; W464-L499 HydrophobicContact CH2-CD1 3.82Å; W464-L499 HydrophobicContact CH2-CD2 4.36Å; W464-L499 HydrophobicContact CZ2-CD1 3.91Å; W464-L499 HydrophobicContact CZ3-CD1 3.82Å; W464-L499 HydrophobicContact CZ3-CD2 3.91Å; F468-L499 HydrophobicContact CE1-CD2 4.17Å; F468-L499 HydrophobicContact CZ-CD2 4.12Å; V491-L499 HydrophobicContact CG1-CD1 3.58Å; L495-L499 HydrophobicContact CB-CD1 3.89Å; L495-L499 HydrophobicContact CB-CG 4.44Å; L495-L499 WeakPolarHBondContact O-CB 3.48Å; L495-L499 WeakPolarHBondContact O-CG 3.13Å; L495-L499 PolarHBondContact O-N 3.3Å; R496-L499 PolarHBondContact O-N 2.86Å; L499-L502 HydrophobicContact CD2-CD2 4.5Å; L499-L502 PolarHBondContact O-N 2.62Å; L499-F503 HydrophobicContact CB-CD2 4.15Å; L499-F503 HydrophobicContact CB-CE2 3.78Å; L499-F503 HydrophobicContact CD2-CE2 4Å; L499-F503 HydrophobicContact CD2-CZ 3.89Å; L499-F503 HydrophobicContact CG-CE2 4.35Å; L499-F503 WeakPolarHBondContact O-CB 3.45Å; L499-F503 WeakPolarHBondContact O-CD2 3.43Å; L499-F503 VanDerWaalsContact O-CG 3.25Å; L499-F503 WeakPolarHBondContact O-CG 3.48Å; L499-F503 PolarHBondContact O-N 2.89Å
500W97.1Very high93.2Very high1 Ų116.9 Ų16.90%0.00410%0.096CC..Hα-helixtrans-62.1-45.3171.1-64-2.3000110.4R496 L502 S504 V584 L585 Y588 L597 V670 D671 F674R496-W500 HydrophobicContact CB-CD2 4.32Å; R496-W500 HydrophobicContact CB-CZ2 4.13Å; R496-W500 HydrophobicContact CG-CZ2 4.08Å; R496-W500 VanDerWaalsContact O-CB 3.27Å; R496-W500 WeakPolarHBondContact O-CB 3.36Å; R496-W500 PolarHBondContact O-N 2.9Å; W500-L502 VanDerWaalsContact C-N 3.27Å; W500-L502 PolarHBondContact O-N 2.75Å; W500-S504 WeakPolarHBondContact O-CB 3.38Å; W500-S504 PolarHBondContact O-N 3.09Å; W500-S504 PolarHBondContact O-OG 3.31Å; W500-V584 HydrophobicContact CH2-CG1 4.05Å; W500-V584 HydrophobicContact CZ3-CG1 4.45Å; W500-L585 HydrophobicContact CE3-CD2 4.08Å; W500-L585 HydrophobicContact CZ3-CD2 4.11Å; W500-Y588 AromaticContact CH2-CD2 3.57Å; W500-Y588 HydrophobicContact CH2-CD2 3.57Å; W500-Y588 HydrophobicContact CH2-CE2 4.32Å; W500-Y588 HydrophobicContact CH2-CG 4.09Å; W500-Y588 AromaticContact CZ3-CD2 3.92Å; W500-Y588 HydrophobicContact CZ3-CD2 3.92Å; W500-Y588 HydrophobicContact CZ3-CG 4.27Å; W500-L597 HydrophobicContact CB-CD1 4.17Å; W500-L597 HydrophobicContact CB-CD2 3.95Å; W500-L597 HydrophobicContact CE3-CD1 4.29Å; W500-V670 HydrophobicContact CD2-CG1 4.43Å; W500-V670 HydrophobicContact CH2-CG1 3.82Å; W500-V670 HydrophobicContact CZ2-CB 4.18Å; W500-V670 HydrophobicContact CZ2-CG1 3.59Å; W500-V670 HydrophobicContact CZ3-CG1 4.33Å; W500-D671 PolarHBondContact NE1-OD1 3.43Å; W500-F674 HydrophobicContact CB-CD1 4.48Å; W500-F674 HydrophobicContact CB-CD2 3.74Å; W500-F674 HydrophobicContact CB-CE2 3.85Å; W500-F674 HydrophobicContact CB-CG 4.07Å; W500-F674 HydrophobicContact CB-CZ 4.28Å; W500-F674 AromaticContact CD1-CD2 3.47Å; W500-F674 VanDerWaalsContact CD1-CD2 3.47Å; W500-F674 AromaticContact CD2-CD2 3.61Å; W500-F674 HydrophobicContact CD2-CD2 3.61Å; W500-F674 AromaticContact CD2-CE2 3.51Å; W500-F674 HydrophobicContact CD2-CE2 3.51Å; W500-F674 AromaticContact CE2-CD2 3.91Å; W500-F674 HydrophobicContact CE3-CD2 4.32Å; W500-F674 AromaticContact CE3-CE2 3.75Å; W500-F674 HydrophobicContact CE3-CE2 3.75Å; W500-F674 AromaticContact CG-CD2 3.31Å; W500-F674 HydrophobicContact CG-CD2 3.31Å; W500-F674 AromaticContact CG-CE2 3.58Å; W500-F674 HydrophobicContact CG-CE2 3.58Å; W500-F674 HydrophobicContact CG-CG 4.02Å; W500-F674 HydrophobicContact CG-CZ 4.47Å; W500-F674 HydrophobicContact CZ3-CE2 4.47Å; W500-F674 AromaticContact NE1-CD2 3.83Å
501M96.2Very high93.2Very high8 Ų819 Ų194%0.03911%0.114CC..Hα-helixtrans-61.7-33.5175.8-77.4-68.5-78.200112.8G497 E498 S504 G505 A506 V507 M510 E593 W596 L597G497-M501 VanDerWaalsContact O-CB 3.27Å; G497-M501 WeakPolarHBondContact O-CB 3.29Å; G497-M501 WeakPolarHBondContact O-CG 3.5Å; G497-M501 PolarHBondContact O-N 2.98Å; E498-M501 PolarHBondContact O-N 3.42Å; M501-S504 PolarHBondContact O-OG 3.06Å; M501-G505 CarbonylContact O-C 3.49Å; M501-G505 PolarHBondContact O-N 2.73Å; M501-A506 HydrophobicContact CE-CB 4.14Å; M501-A506 PolarHBondContact O-N 2.98Å; M501-A506 VanDerWaalsContact O-N 3.15Å; M501-A506 HydrophobicContact SD-CB 3.56Å; M501-A506 VanDerWaalsContact SD-CB 3.56Å; M501-V507 HydrophobicContact CB-CB 4.25Å; M501-V507 WeakPolarHBondContact O-CB 3.08Å; M501-V507 WeakPolarHBondContact O-CG1 3.45Å; M501-V507 PolarHBondContact O-N 3.38Å; M501-M510 HydrophobicContact CE-CB 4.25Å; M501-M510 HydrophobicContact CE-CE 3.69Å; M501-M510 HydrophobicContact CE-SD 3.79Å; M501-E593 HydrophobicContact CE-CB 4.14Å; M501-E593 HydrophobicContact CE-CG 4.14Å; M501-E593 HydrophobicContact CG-CB 4.23Å; M501-E593 HydrophobicContact SD-CB 4.02Å; M501-W596 HydrophobicContact CE-CB 4.32Å; M501-L597 HydrophobicContact CG-CD1 4.41Å; M501-L597 HydrophobicContact CG-CD2 4.16Å; M501-L597 HydrophobicContact CG-CG 4.25Å; M501-L597 HydrophobicContact SD-CD1 4.35Å; M501-L597 HydrophobicContact SD-CD2 3.8Å; M501-L597 HydrophobicContact SD-CG 3.65Å
502L94Very high92.9Very high15 Ų1521.6 Ų21.68%0.07913%0.13CC..Hα-helixtrans-74.7-52.9176.4-179.160.4000112.7G474 M477 F479 E498 L499 W500 G505G474-L502 VanDerWaalsContact C-CD1 3.49Å; G474-L502 WeakPolarHBondContact O-CD1 3.43Å; M477-L502 HydrophobicContact CE-CD2 3.92Å; M477-L502 HydrophobicContact SD-CD2 4.43Å; F479-L502 HydrophobicContact CE1-CG 4.39Å; F479-L502 HydrophobicContact CZ-CD1 4.45Å; F479-L502 HydrophobicContact CZ-CG 4.37Å; E498-L502 WeakPolarHBondContact O-CB 3.29Å; E498-L502 PolarHBondContact O-N 3.17Å; L499-L502 HydrophobicContact CD2-CD2 4.5Å; L499-L502 PolarHBondContact O-N 2.62Å; W500-L502 VanDerWaalsContact C-N 3.27Å; W500-L502 PolarHBondContact O-N 2.75Å; L502-G505 PolarHBondContact O-N 2.81Å
503F94.1Very high92.9Very high15 Ų1526 Ų267%0.06615%0.151CC..Hα-helixtrans-73.3-30.5-175-59.8-46000113.5W464 M477 F479 T483 I487 L499 F674 Y675W464-F503 HydrophobicContact CH2-CE2 4.47Å; W464-F503 HydrophobicContact CH2-CZ 4.13Å; W464-F503 HydrophobicContact CZ3-CZ 4.5Å; M477-F503 HydrophobicContact CE-CE1 3.52Å; M477-F503 HydrophobicContact CE-CZ 4Å; F479-F503 HydrophobicContact CD1-CD1 4.07Å; F479-F503 AromaticContact CD1-CE1 3.87Å; F479-F503 HydrophobicContact CD1-CE1 3.87Å; F479-F503 AromaticContact CE1-CD1 3.61Å; F479-F503 HydrophobicContact CE1-CD1 3.61Å; F479-F503 AromaticContact CE1-CE1 3.65Å; F479-F503 HydrophobicContact CE1-CE1 3.65Å; T483-F503 HydrophobicContact CG2-CE1 4.11Å; T483-F503 HydrophobicContact CG2-CZ 4Å; I487-F503 HydrophobicContact CD1-CD2 4.35Å; I487-F503 HydrophobicContact CD1-CE1 4.44Å; I487-F503 HydrophobicContact CD1-CE2 3.52Å; I487-F503 HydrophobicContact CD1-CZ 3.59Å; I487-F503 HydrophobicContact CG1-CE2 4.28Å; L499-F503 HydrophobicContact CB-CD2 4.15Å; L499-F503 HydrophobicContact CB-CE2 3.78Å; L499-F503 HydrophobicContact CD2-CE2 4Å; L499-F503 HydrophobicContact CD2-CZ 3.89Å; L499-F503 HydrophobicContact CG-CE2 4.35Å; L499-F503 WeakPolarHBondContact O-CB 3.45Å; L499-F503 WeakPolarHBondContact O-CD2 3.43Å; L499-F503 VanDerWaalsContact O-CG 3.25Å; L499-F503 WeakPolarHBondContact O-CG 3.48Å; L499-F503 PolarHBondContact O-N 2.89Å; F503-F674 HydrophobicContact CB-CB 4.37Å; F503-F674 VanDerWaalsContact CB-O 3.27Å; F503-F674 WeakPolarHBondContact CB-O 3.31Å; F503-Y675 AromaticContact CD1-CD2 3.61Å; F503-Y675 HydrophobicContact CD1-CD2 3.61Å; F503-Y675 HydrophobicContact CD1-CE2 4.02Å; F503-Y675 HydrophobicContact CD2-CD2 4.14Å; F503-Y675 AromaticContact CE1-CD2 3.54Å; F503-Y675 HydrophobicContact CE1-CD2 3.54Å; F503-Y675 AromaticContact CE1-CE2 3.69Å; F503-Y675 HydrophobicContact CE1-CE2 3.69Å; F503-Y675 HydrophobicContact CE2-CD2 4.09Å; F503-Y675 AromaticContact CG-CD2 3.93Å; F503-Y675 HydrophobicContact CG-CD2 3.93Å; F503-Y675 AromaticContact CZ-CD2 3.81Å; F503-Y675 HydrophobicContact CZ-CD2 3.81Å; F503-Y675 HydrophobicContact CZ-CE2 4.18Å
504S93.9Very high93Very high0 Ų028.7 Ų28.70%017%0.17CC..THydrogen-bonded Turntrans-75.3-10.7167.469.50000112.8W500 M501 A506 L597 R604W500-S504 WeakPolarHBondContact O-CB 3.38Å; W500-S504 PolarHBondContact O-N 3.09Å; W500-S504 PolarHBondContact O-OG 3.31Å; M501-S504 PolarHBondContact O-OG 3.06Å; S504-A506 PolarHBondContact O-N 3.37Å; S504-A506 VanDerWaalsContact O-N 3.07Å; S504-A506 VanDerWaalsContact OG-CB 3.22Å; S504-A506 WeakPolarHBondContact OG-CB 3.31Å; S504-A506 PolarHBondContact OG-N 2.97Å; S504-L597 WeakPolarHBondContact OG-CD2 3.18Å; S504-R604 PolarHBondContact O-NH1 2.76Å; S504-R604 PolarHBondContact O-NH2 3.16Å
505G92.3Very high93.1Very high11 Ų1127 Ų2711%0.11316%0.163CC..  trans66-0.2-172.200000115.5M501 L502 V507 N508M501-G505 CarbonylContact O-C 3.49Å; M501-G505 PolarHBondContact O-N 2.73Å; L502-G505 PolarHBondContact O-N 2.81Å; G505-V507 PolarHBondContact O-N 2.74Å; G505-V507 VanDerWaalsContact O-N 3.13Å; G505-N508 VanDerWaalsContact O-CB 3.32Å; G505-N508 WeakPolarHBondContact O-CB 3.47Å; G505-N508 PolarHBondContact O-N 2.99Å; G505-N508 PolarHBondContact O-ND2 3.23Å
506A94.4Very high93Very high0 Ų027.9 Ų27.90%017%0.17CC..Hα-helixtrans-57.6-26.5-179.800000113.3M501 S504 N508 D509 M510 W596 L597 A600M501-A506 HydrophobicContact CE-CB 4.14Å; M501-A506 PolarHBondContact O-N 2.98Å; M501-A506 VanDerWaalsContact O-N 3.15Å; M501-A506 HydrophobicContact SD-CB 3.56Å; M501-A506 VanDerWaalsContact SD-CB 3.56Å; S504-A506 PolarHBondContact O-N 3.37Å; S504-A506 VanDerWaalsContact O-N 3.07Å; S504-A506 VanDerWaalsContact OG-CB 3.22Å; S504-A506 WeakPolarHBondContact OG-CB 3.31Å; S504-A506 PolarHBondContact OG-N 2.97Å; A506-N508 PolarHBondContact O-N 3.47Å; A506-D509 PolarHBondContact O-N 2.72Å; A506-M510 WeakPolarHBondContact O-CB 3.14Å; A506-M510 PolarHBondContact O-N 3.13Å; A506-W596 HydrophobicContact CB-CB 4.09Å; A506-W596 WeakPolarHBondContact CB-O 3.46Å; A506-L597 HydrophobicContact CB-CD2 4.14Å; A506-A600 HydrophobicContact CB-CB 4.02Å
507V92.7Very high93Very high42 Ų4227.6 Ų27.626%0.25517%0.169SC..Hα-helixtrans-55.4-29.3169.969.70000113.1T475 M501 G505 A511T475-V507 HydrophobicContact CG2-CG1 4.2Å; M501-V507 HydrophobicContact CB-CB 4.25Å; M501-V507 WeakPolarHBondContact O-CB 3.08Å; M501-V507 WeakPolarHBondContact O-CG1 3.45Å; M501-V507 PolarHBondContact O-N 3.38Å; G505-V507 PolarHBondContact O-N 2.74Å; G505-V507 VanDerWaalsContact O-N 3.13Å; V507-A511 VanDerWaalsContact O-CB 3.24Å; V507-A511 WeakPolarHBondContact O-CB 3.46Å; V507-A511 PolarHBondContact O-N 3.47Å
508N90.4Very high93Very high12 Ų1230.2 Ų30.26%0.06418%0.184CC..Hα-helixtrans-81.3-43.9177.7-59-46.5000111.8Y325 P341 R343 G505 A506 M510 A511 T512Y325-N508 HydrophobicContact CE1-CB 4.42Å; Y325-N508 VanDerWaalsContact OH-CB 3.26Å; Y325-N508 WeakPolarHBondContact OH-CB 3.35Å; P341-N508 WeakPolarHBondContact CG-OD1 3.28Å; R343-N508 PolarHBondContact NH1-O 3.3Å; R343-N508 PolarHBondContact NH2-OD1 2.83Å; G505-N508 VanDerWaalsContact O-CB 3.32Å; G505-N508 WeakPolarHBondContact O-CB 3.47Å; G505-N508 PolarHBondContact O-N 2.99Å; G505-N508 PolarHBondContact O-ND2 3.23Å; A506-N508 PolarHBondContact O-N 3.47Å; N508-M510 VanDerWaalsContact C-N 3.35Å; N508-A511 PolarHBondContact O-N 3.44Å; N508-T512 PolarHBondContact O-N 3.21Å; N508-T512 VanDerWaalsContact O-N 3.08Å; N508-T512 PolarHBondContact O-OG1 3.18Å
509D90.8Very high92.9Very high15 Ų1532.3 Ų32.38%0.0819%0.194CC..Hα-helixtrans-62.7-43.4-179.5-57-25.4000110.4P293 A506 T512 H513 W596 R604P293-D509 WeakPolarHBondContact CG-OD1 3.26Å; A506-D509 PolarHBondContact O-N 2.72Å; D509-T512 PolarHBondContact O-N 2.86Å; D509-T512 PolarHBondContact O-OG1 2.79Å; D509-T512 VanDerWaalsContact O-OG1 3.12Å; D509-H513 PolarHBondContact O-N 3.2Å; D509-H513 PolarHBondContact O-ND1 3.18Å; D509-W596 HydrophobicContact CB-CE3 3.66Å; D509-W596 HydrophobicContact CB-CZ3 3.84Å; D509-R604 IonicContact OD2-CZ 3.24Å; D509-R604 IonicContact OD2-NE 3.6Å; D509-R604 IonicContact OD2-NH2 3.31Å; D509-R604 PolarHBondContact OD2-NH2 3.12Å
510M92.9Very high92.9Very high44 Ų4433 Ų3322%0.21720%0.198CC..Hα-helixtrans-61.1-47.5172.8-174.3173.374.200112.1M501 A506 N508 T512 H513 E592 E593 W596M501-M510 HydrophobicContact CE-CB 4.25Å; M501-M510 HydrophobicContact CE-CE 3.69Å; M501-M510 HydrophobicContact CE-SD 3.79Å; A506-M510 WeakPolarHBondContact O-CB 3.14Å; A506-M510 PolarHBondContact O-N 3.13Å; N508-M510 VanDerWaalsContact C-N 3.35Å; M510-T512 PolarHBondContact O-N 3.21Å; M510-H513 CarbonylContact O-C 3.59Å; M510-H513 PolarHBondContact O-N 3.08Å; M510-H513 VanDerWaalsContact O-N 3.14Å; M510-E592 HydrophobicContact CG-CG 4.48Å; M510-E592 HydrophobicContact SD-CG 4.09Å; M510-E593 HydrophobicContact CE-CG 4.33Å; M510-E593 HydrophobicContact SD-CG 4.09Å; M510-W596 HydrophobicContact CB-CB 4.35Å; M510-W596 VanDerWaalsContact CB-CD1 3.47Å; M510-W596 HydrophobicContact CB-CD2 4.12Å; M510-W596 HydrophobicContact CB-CG 3.73Å; M510-W596 VanDerWaalsContact CG-CD1 3.44Å; M510-W596 HydrophobicContact CG-CG 4.21Å
511A89.6Confident92.7Very high48 Ų4833.6 Ų33.640%0.39720%0.201SC..Hα-helixtrans-67.1-21.2-177.300000114.2V507 N508V507-A511 VanDerWaalsContact O-CB 3.24Å; V507-A511 WeakPolarHBondContact O-CB 3.46Å; V507-A511 PolarHBondContact O-N 3.47Å; N508-A511 PolarHBondContact O-N 3.44Å
512T88.4Confident92.5Very high56 Ų5640 Ų4034%0.34423%0.231SC..Hα-helixtrans-91.8-10174.453.10000114N508 D509 M510 P514N508-T512 PolarHBondContact O-N 3.21Å; N508-T512 VanDerWaalsContact O-N 3.08Å; N508-T512 PolarHBondContact O-OG1 3.18Å; D509-T512 PolarHBondContact O-N 2.86Å; D509-T512 PolarHBondContact O-OG1 2.79Å; D509-T512 VanDerWaalsContact O-OG1 3.12Å; M510-T512 PolarHBondContact O-N 3.21Å; T512-P514 VanDerWaalsContact C-CD 3.41Å
513H90.7Very high92.4Very high93 Ų9344 Ų4443%0.43125%0.249SC..SBendtrans-127.455.5-177.2-58.1100.9000112.4D509 M510 G515 C516 W596D509-H513 PolarHBondContact O-N 3.2Å; D509-H513 PolarHBondContact O-ND1 3.18Å; M510-H513 CarbonylContact O-C 3.59Å; M510-H513 PolarHBondContact O-N 3.08Å; M510-H513 VanDerWaalsContact O-N 3.14Å; H513-G515 PolarHBondContact O-N 3.24Å; H513-C516 HydrophobicContact CB-CB 3.88Å; H513-C516 WeakPolarHBondContact O-CB 3.45Å; H513-C516 PolarHBondContact O-N 3.46Å; H513-W596 HydrophobicContact CB-CH2 3.59Å; H513-W596 HydrophobicContact CB-CZ2 3.65Å; H513-W596 AromaticContact CG-CH2 3.79Å; H513-W596 AromaticContact ND1-CH2 3.69Å
514P91.1Very high92.2Very high79 Ų7943.5 Ų43.551%0.51325%0.247SC..THydrogen-bonded Turntrans-60.2130.2-176.727.1-35.6000111.6T512 C516T512-P514 VanDerWaalsContact C-CD 3.41Å; P514-C516 VanDerWaalsContact C-N 3.28Å; P514-C516 PolarHBondContact O-N 3.2Å
515G90.8Very high91.8Very high34 Ų3449.3 Ų49.335%0.35128%0.278SS..THydrogen-bonded Turntrans83.8-10.5179.500000115.4H513 Y517 T518 E519H513-G515 PolarHBondContact O-N 3.24Å; G515-Y517 PolarHBondContact O-N 3.32Å; G515-T518 WeakPolarHBondContact O-CB 3.36Å; G515-T518 PolarHBondContact O-N 3.09Å; G515-T518 VanDerWaalsContact O-N 3.16Å; G515-E519 PolarHBondContact O-N 3.12Å; G515-E519 VanDerWaalsContact O-N 3.12Å
516C93.1Very high91.1Very high31 Ų3152.8 Ų52.821%0.20931%0.314CS..Hα-helixtrans-59.9-39-174.4178.60000113.4H513 P514 E519 L520 W596H513-C516 HydrophobicContact CB-CB 3.88Å; H513-C516 WeakPolarHBondContact O-CB 3.45Å; H513-C516 PolarHBondContact O-N 3.46Å; P514-C516 VanDerWaalsContact C-N 3.28Å; P514-C516 PolarHBondContact O-N 3.2Å; C516-E519 PolarHBondContact O-N 3.27Å; C516-L520 WeakPolarHBondContact O-CB 3.25Å; C516-L520 WeakPolarHBondContact O-CD1 3.5Å; C516-L520 VanDerWaalsContact O-CG 3.24Å; C516-L520 WeakPolarHBondContact O-CG 3.44Å; C516-L520 PolarHBondContact O-N 2.98Å; C516-W596 HydrophobicContact CB-CZ2 4.16Å
517Y95.3Very high90.5Very high1 Ų155.1 Ų55.10%0.00433%0.328CS..Hα-helixtrans-62.2-45.4176.7176.6-114.7000111.9V433 G515 E519 L520 V521 R560 V561 A564 E591 E592 F595V433-Y517 HydrophobicContact CG1-CE1 4.21Å; G515-Y517 PolarHBondContact O-N 3.32Å; Y517-E519 PolarHBondContact O-N 2.89Å; Y517-L520 PolarHBondContact O-N 2.85Å; Y517-V521 HydrophobicContact CD1-CG2 4.41Å; Y517-V521 HydrophobicContact CD2-CG2 4.13Å; Y517-V521 HydrophobicContact CE1-CG2 3.9Å; Y517-V521 HydrophobicContact CE2-CG2 3.58Å; Y517-V521 VanDerWaalsContact CZ-CG2 3.44Å; Y517-V521 WeakPolarHBondContact O-CG2 3.45Å; Y517-V521 PolarHBondContact O-N 3.06Å; Y517-R560 WeakPolarHBondContact OH-CB 3.32Å; Y517-V561 HydrophobicContact CE2-CG2 4.32Å; Y517-V561 WeakPolarHBondContact OH-CG2 3.27Å; Y517-A564 HydrophobicContact CD2-CB 4.25Å; Y517-A564 HydrophobicContact CE2-CB 3.87Å; Y517-E591 HydrophobicContact CE1-CG 4.07Å; Y517-E591 WeakPolarHBondContact OH-CG 3.42Å; Y517-E591 PolarHBondContact OH-OE1 2.75Å; Y517-E592 HydrophobicContact CD1-CB 3.75Å; Y517-E592 HydrophobicContact CD1-CG 4.15Å; Y517-E592 HydrophobicContact CE1-CB 4.44Å; Y517-E592 HydrophobicContact CG-CB 4.21Å; Y517-E592 HydrophobicContact CG-CG 4.16Å; Y517-F595 HydrophobicContact CD2-CB 3.63Å; Y517-F595 AromaticContact CD2-CD1 3.63Å; Y517-F595 HydrophobicContact CD2-CD1 3.63Å; Y517-F595 AromaticContact CD2-CD2 3.61Å; Y517-F595 HydrophobicContact CD2-CD2 3.61Å; Y517-F595 HydrophobicContact CD2-CE1 4.16Å; Y517-F595 HydrophobicContact CD2-CE2 4.13Å; Y517-F595 AromaticContact CD2-CG 3.32Å; Y517-F595 HydrophobicContact CD2-CG 3.32Å; Y517-F595 HydrophobicContact CD2-CZ 4.38Å; Y517-F595 HydrophobicContact CE2-CB 3.72Å; Y517-F595 HydrophobicContact CE2-CD1 4.49Å; Y517-F595 AromaticContact CE2-CD2 3.81Å; Y517-F595 HydrophobicContact CE2-CD2 3.81Å; Y517-F595 AromaticContact CE2-CG 3.76Å; Y517-F595 HydrophobicContact CE2-CG 3.76Å; Y517-F595 HydrophobicContact CG-CB 4.36Å; Y517-F595 HydrophobicContact CG-CD1 4.17Å; Y517-F595 HydrophobicContact CG-CG 4.21Å
518T93.3Very high90Very high63 Ų6355.8 Ų55.839%0.38733%0.334SS..Hα-helixtrans-59.4-47177.9-50.90000111.4G515 L520 V521 E522G515-T518 WeakPolarHBondContact O-CB 3.36Å; G515-T518 PolarHBondContact O-N 3.09Å; G515-T518 VanDerWaalsContact O-N 3.16Å; T518-L520 VanDerWaalsContact C-N 3.34Å; T518-L520 PolarHBondContact O-N 3.18Å; T518-V521 PolarHBondContact O-N 3.37Å; T518-E522 WeakPolarHBondContact O-CG 3.32Å; T518-E522 PolarHBondContact O-N 2.93Å
519E93.9Very high89.8Confident111 Ų11157.9 Ų57.952%0.51935%0.348SS..Hα-helixtrans-60.2-42176.7-68.1179.6179.700112.2G515 C516 Y517 E522 Q523G515-E519 PolarHBondContact O-N 3.12Å; G515-E519 VanDerWaalsContact O-N 3.12Å; C516-E519 PolarHBondContact O-N 3.27Å; Y517-E519 PolarHBondContact O-N 2.89Å; E519-E522 PolarHBondContact O-N 2.8Å; E519-Q523 WeakPolarHBondContact O-CB 2.9Å; E519-Q523 WeakPolarHBondContact O-CG 3.32Å; E519-Q523 PolarHBondContact O-N 2.73Å
520L95Very high89.5Confident15 Ų1561.1 Ų61.18%0.07936%0.364CS..Hα-helixtrans-67.4-37.5177.9-71.7166.5000112.7C516 Y517 T518 S524 A564 Y567 R568 F595C516-L520 WeakPolarHBondContact O-CB 3.25Å; C516-L520 WeakPolarHBondContact O-CD1 3.5Å; C516-L520 VanDerWaalsContact O-CG 3.24Å; C516-L520 WeakPolarHBondContact O-CG 3.44Å; C516-L520 PolarHBondContact O-N 2.98Å; Y517-L520 PolarHBondContact O-N 2.85Å; T518-L520 VanDerWaalsContact C-N 3.34Å; T518-L520 PolarHBondContact O-N 3.18Å; L520-S524 WeakPolarHBondContact O-CB 3.41Å; L520-S524 PolarHBondContact O-N 2.93Å; L520-S524 PolarHBondContact O-OG 2.91Å; L520-A564 HydrophobicContact CB-CB 4.05Å; L520-Y567 HydrophobicContact CD2-CD1 3.86Å; L520-Y567 HydrophobicContact CD2-CE1 4.44Å; L520-R568 HydrophobicContact CD1-CB 3.87Å; L520-R568 HydrophobicContact CD1-CG 4.02Å; L520-R568 HydrophobicContact CD2-CB 3.95Å; L520-R568 HydrophobicContact CD2-CG 4.42Å; L520-F595 HydrophobicContact CD1-CE1 4.28Å; L520-F595 HydrophobicContact CD1-CE2 4.23Å; L520-F595 HydrophobicContact CD1-CZ 3.53Å
521V94.1Very high89.2Confident12 Ų1259.8 Ų59.87%0.07336%0.36CS..Hα-helixtrans-63.4-46.8172.6169.70000110.2Y517 T518 Q523 S524 L525 R560 A564Y517-V521 HydrophobicContact CD1-CG2 4.41Å; Y517-V521 HydrophobicContact CD2-CG2 4.13Å; Y517-V521 HydrophobicContact CE1-CG2 3.9Å; Y517-V521 HydrophobicContact CE2-CG2 3.58Å; Y517-V521 VanDerWaalsContact CZ-CG2 3.44Å; Y517-V521 WeakPolarHBondContact O-CG2 3.45Å; Y517-V521 PolarHBondContact O-N 3.06Å; T518-V521 PolarHBondContact O-N 3.37Å; V521-Q523 PolarHBondContact O-N 2.92Å; V521-S524 PolarHBondContact O-N 2.92Å; V521-S524 PolarHBondContact O-OG 2.96Å; V521-L525 HydrophobicContact CG1-CD1 4.21Å; V521-L525 WeakPolarHBondContact O-CB 3.12Å; V521-L525 WeakPolarHBondContact O-CD1 3.47Å; V521-L525 VanDerWaalsContact O-CG 3.24Å; V521-L525 WeakPolarHBondContact O-CG 3.4Å; V521-L525 PolarHBondContact O-N 3.17Å; V521-L525 VanDerWaalsContact O-N 3.12Å; V521-R560 HydrophobicContact CG1-CG 4.21Å; V521-R560 HydrophobicContact CG2-CB 4.29Å; V521-A564 HydrophobicContact CG2-CB 4.01Å
522E92.1Very high89.3Confident143 Ų14358.1 Ų58.167%0.66835%0.346SS*.Hα-helixtrans-62.1-41.4178-72.8-174.517600113T518 E519T518-E522 WeakPolarHBondContact O-CG 3.32Å; T518-E522 PolarHBondContact O-N 2.93Å; E519-E522 PolarHBondContact O-N 2.8Å
523Q91.4Very high89.3Confident99 Ų9959.3 Ų59.346%0.46335%0.35SS..Hα-helixtrans-74.8-30.3-179.5-71.1170.320.100113.9E519 V521 Y567E519-Q523 WeakPolarHBondContact O-CB 2.9Å; E519-Q523 WeakPolarHBondContact O-CG 3.32Å; E519-Q523 PolarHBondContact O-N 2.73Å; V521-Q523 PolarHBondContact O-N 2.92Å; Q523-Y567 HydrophobicContact CB-CE1 3.83Å
524S90.6Very high89.4Confident4 Ų457.4 Ų57.43%0.02834%0.341CS..Hα-helixtrans-88.8-18.7-177.666.60000113.7L520 V521 G526 T527L520-S524 WeakPolarHBondContact O-CB 3.41Å; L520-S524 PolarHBondContact O-N 2.93Å; L520-S524 PolarHBondContact O-OG 2.91Å; V521-S524 PolarHBondContact O-N 2.92Å; V521-S524 PolarHBondContact O-OG 2.96Å; S524-G526 PolarHBondContact O-N 3.45Å; S524-T527 WeakPolarHBondContact O-CB 3.24Å; S524-T527 WeakPolarHBondContact O-CG2 3.35Å; S524-T527 PolarHBondContact O-N 3.35Å; S524-T527 VanDerWaalsContact O-N 3.11Å; S524-T527 PolarHBondContact O-OG1 3.03Å
525L84.3Confident89.5Confident123 Ų12353.6 Ų53.664%0.64432%0.317SS*.THydrogen-bonded Turntrans-55124.8174.6-90.5164.9000112.3V521 T527V521-L525 HydrophobicContact CG1-CD1 4.21Å; V521-L525 WeakPolarHBondContact O-CB 3.12Å; V521-L525 WeakPolarHBondContact O-CD1 3.47Å; V521-L525 VanDerWaalsContact O-CG 3.24Å; V521-L525 WeakPolarHBondContact O-CG 3.4Å; V521-L525 PolarHBondContact O-N 3.17Å; V521-L525 VanDerWaalsContact O-N 3.12Å; L525-T527 PolarHBondContact O-N 2.85Å
526G77.3Confident89.7Confident84 Ų8455.8 Ų55.887%0.86632%0.317SS*.THydrogen-bonded Turntrans75.81.3179.300000115.1S524S524-G526 PolarHBondContact O-N 3.45Å
527T82.6Confident89.7Confident49 Ų4961.1 Ų61.130%0.30133%0.333SS..  trans-67.2145.116765.60000110.1S524 L525 Y567S524-T527 WeakPolarHBondContact O-CB 3.24Å; S524-T527 WeakPolarHBondContact O-CG2 3.35Å; S524-T527 PolarHBondContact O-N 3.35Å; S524-T527 VanDerWaalsContact O-N 3.11Å; S524-T527 PolarHBondContact O-OG1 3.03Å; L525-T527 PolarHBondContact O-N 2.85Å; T527-Y567 HydrophobicContact CG2-CD2 4.4Å; T527-Y567 HydrophobicContact CG2-CE2 4.21Å
528S82.6Confident89.6Confident55 Ų5561 Ų6139%0.38533%0.333SS..  trans-131.2110.8174.3177.30000109.3T532 D533 K963S528-T532 WeakPolarHBondContact CA-OG1 3.42Å; S528-D533 PolarHBondContact OG-OD1 3.48Å; S528-K963 WeakPolarHBondContact O-CE 3.38Å; S528-K963 VanDerWaalsContact OG-CE 3.28Å; S528-K963 WeakPolarHBondContact OG-CE 3.25Å; S528-K963 PolarHBondContact OG-NZ 3.1Å
529T85.4Confident89.5Confident56 Ų5658.1 Ų58.134%0.34432%0.315SS..  trans-133.2169-175.265.60000108.5A531 T532 D533T529-A531 PolarHBondContact O-N 3.11Å; T529-A531 PolarHBondContact OG1-N 2.93Å; T529-T532 PolarHBondContact N-OG1 3.42Å; T529-T532 PolarHBondContact O-N 3.47Å; T529-T532 PolarHBondContact O-OG1 3.23Å; T529-T532 PolarHBondContact OG1-N 3.07Å; T529-T532 PolarHBondContact OG1-OG1 3.02Å; T529-D533 PolarHBondContact O-N 2.93Å; T529-D533 VanDerWaalsContact O-N 3.12Å
530L84.5Confident89.2Confident83 Ų8359 Ų5944%0.43532%0.319SS..Hα-helixtrans-54.5-44.5172.6-17868.4000111.1T532 D533 E534 R612L530-T532 PolarHBondContact O-N 2.99Å; L530-D533 PolarHBondContact O-N 3.25Å; L530-E534 HydrophobicContact CD1-CG 4.31Å; L530-E534 HydrophobicContact CG-CG 4.34Å; L530-E534 VanDerWaalsContact O-CG 3.28Å; L530-E534 WeakPolarHBondContact O-CG 3.34Å; L530-E534 PolarHBondContact O-N 2.87Å; L530-R612 VanDerWaalsContact CD2-NH2 3.25Å
531A87.3Confident88.9Confident16 Ų1663.6 Ų63.613%0.13234%0.335CS..Hα-helixtrans-60.4-42.9-179.600000112.9T529 E534 I535 A566T529-A531 PolarHBondContact O-N 3.11Å; T529-A531 PolarHBondContact OG1-N 2.93Å; A531-E534 PolarHBondContact O-N 3.3Å; A531-I535 WeakPolarHBondContact O-CB 3.3Å; A531-I535 WeakPolarHBondContact O-CD1 3.39Å; A531-I535 WeakPolarHBondContact O-CG1 3.21Å; A531-I535 PolarHBondContact O-N 2.94Å; A531-A566 HydrophobicContact CB-CB 4.01Å
532T90.4Very high88.5Confident14 Ų1463 Ų639%0.08633%0.332CS..Hα-helixtrans-66.7-39.5177.353.60000112S528 T529 L530 E534 I535 E536 T563S528-T532 WeakPolarHBondContact CA-OG1 3.42Å; T529-T532 PolarHBondContact N-OG1 3.42Å; T529-T532 PolarHBondContact O-N 3.47Å; T529-T532 PolarHBondContact O-OG1 3.23Å; T529-T532 PolarHBondContact OG1-N 3.07Å; T529-T532 PolarHBondContact OG1-OG1 3.02Å; L530-T532 PolarHBondContact O-N 2.99Å; T532-E534 VanDerWaalsContact C-N 3.29Å; T532-E534 PolarHBondContact O-N 3.29Å; T532-I535 PolarHBondContact O-N 3.46Å; T532-E536 PolarHBondContact O-N 3.38Å; T532-T563 HydrophobicContact CG2-CG2 3.87Å
533D89.9Confident88.1Confident81 Ų8157.5 Ų57.543%0.43331%0.307SS..Hα-helixtrans-68.6-32.6-179.6-60.1-3.6000110.7S528 T529 L530S528-D533 PolarHBondContact OG-OD1 3.48Å; T529-D533 PolarHBondContact O-N 2.93Å; T529-D533 VanDerWaalsContact O-N 3.12Å; L530-D533 PolarHBondContact O-N 3.25Å
534E92Very high87.4Confident52 Ų5256.3 Ų56.324%0.24331%0.308CS..Hα-helixtrans-74.3-37.9171.8-67-174.3127.300113.2L530 A531 T532 R537 D538 Y574L530-E534 HydrophobicContact CD1-CG 4.31Å; L530-E534 HydrophobicContact CG-CG 4.34Å; L530-E534 VanDerWaalsContact O-CG 3.28Å; L530-E534 WeakPolarHBondContact O-CG 3.34Å; L530-E534 PolarHBondContact O-N 2.87Å; A531-E534 PolarHBondContact O-N 3.3Å; T532-E534 VanDerWaalsContact C-N 3.29Å; T532-E534 PolarHBondContact O-N 3.29Å; E534-R537 IonicContact OE1-NH2 3.91Å; E534-D538 WeakPolarHBondContact O-CB 3.38Å; E534-D538 VanDerWaalsContact O-CG 3.26Å; E534-D538 PolarHBondContact O-N 3.41Å; E534-Y574 HydrophobicContact CB-CD1 3.77Å; E534-Y574 HydrophobicContact CB-CE1 4.07Å
535I94.5Very high86.7Confident0 Ų059.6 Ų59.60%032%0.322CS..Hα-helixtrans-59.1-52.9173.4-73.4160.7000110A531 T532 R537 D538 L539 L562 A566 Y574A531-I535 WeakPolarHBondContact O-CB 3.3Å; A531-I535 WeakPolarHBondContact O-CD1 3.39Å; A531-I535 WeakPolarHBondContact O-CG1 3.21Å; A531-I535 PolarHBondContact O-N 2.94Å; T532-I535 PolarHBondContact O-N 3.46Å; I535-R537 VanDerWaalsContact C-N 3.26Å; I535-R537 PolarHBondContact O-N 3.02Å; I535-D538 CarbonylContact O-C 3.56Å; I535-D538 WeakPolarHBondContact O-CA 3.45Å; I535-D538 PolarHBondContact O-N 3.22Å; I535-L539 HydrophobicContact CG2-CD1 4.35Å; I535-L539 HydrophobicContact CG2-CD2 3.98Å; I535-L539 HydrophobicContact CG2-CG 4.04Å; I535-L539 WeakPolarHBondContact O-CG 3.49Å; I535-L539 PolarHBondContact O-N 2.98Å; I535-L562 HydrophobicContact CD1-CB 3.77Å; I535-L562 HydrophobicContact CG1-CB 4.05Å; I535-L562 HydrophobicContact CG1-CD1 4.43Å; I535-L562 HydrophobicContact CG2-CB 4.19Å; I535-L562 HydrophobicContact CG2-CD1 4.07Å; I535-A566 HydrophobicContact CD1-CB 4.38Å; I535-Y574 HydrophobicContact CD1-CD2 4.09Å; I535-Y574 HydrophobicContact CD1-CG 4.15Å; I535-Y574 HydrophobicContact CG1-CD1 3.98Å; I535-Y574 HydrophobicContact CG1-CD2 3.47Å; I535-Y574 VanDerWaalsContact CG1-CD2 3.47Å; I535-Y574 HydrophobicContact CG1-CE1 4.32Å; I535-Y574 HydrophobicContact CG1-CE2 3.86Å; I535-Y574 HydrophobicContact CG1-CG 3.54Å
536E93.8Very high86.7Confident79 Ų7954.2 Ų54.237%0.36929%0.294SS..Hα-helixtrans-57.3-37.8-177-71.2-56.2144.100113.4T532 D538 R559T532-E536 PolarHBondContact O-N 3.38Å; E536-D538 PolarHBondContact O-N 2.69Å; E536-R559 WeakPolarHBondContact OE1-CD 3.47Å; E536-R559 IonicContact OE1-CZ 2.75Å; E536-R559 IonicContact OE1-NE 2.64Å; E536-R559 PolarHBondContact OE1-NE 2.98Å; E536-R559 IonicContact OE1-NH2 3.75Å; E536-R559 IonicContact OE2-CZ 3.04Å; E536-R559 IonicContact OE2-NE 3.06Å; E536-R559 PolarHBondContact OE2-NE 2.99Å; E536-R559 IonicContact OE2-NH2 3.18Å; E536-R559 PolarHBondContact OE2-NH2 3.49Å
537R92.4Very high87Confident143 Ų14353.3 Ų53.354%0.5427%0.273SS..Hα-helixtrans-64.1-30174.5-177.6-17764.2-144.4-0112.3E534 I535E534-R537 IonicContact OE1-NH2 3.91Å; I535-R537 VanDerWaalsContact C-N 3.26Å; I535-R537 PolarHBondContact O-N 3.02Å
538D93.5Very high87.1Confident0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-97-25-170.7-74.515.5000113.8E534 I535 E536 H540 R541 S542 Y574 N579E534-D538 WeakPolarHBondContact O-CB 3.38Å; E534-D538 VanDerWaalsContact O-CG 3.26Å; E534-D538 PolarHBondContact O-N 3.41Å; I535-D538 CarbonylContact O-C 3.56Å; I535-D538 WeakPolarHBondContact O-CA 3.45Å; I535-D538 PolarHBondContact O-N 3.22Å; E536-D538 PolarHBondContact O-N 2.69Å; D538-H540 PolarHBondContact O-N 3.47Å; D538-R541 WeakPolarHBondContact O-CG 3.41Å; D538-R541 PolarHBondContact O-N 3.44Å; D538-R541 VanDerWaalsContact O-N 3.11Å; D538-R541 IonicContact OD1-CZ 2.74Å; D538-R541 IonicContact OD1-NE 3.71Å; D538-R541 PolarHBondContact OD1-NE 2.67Å; D538-R541 IonicContact OD1-NH2 3.16Å; D538-R541 PolarHBondContact OD1-NH2 3.45Å; D538-R541 IonicContact OD2-CZ 3.78Å; D538-R541 IonicContact OD2-NE 3.52Å; D538-R541 IonicContact OD2-NH2 3.67Å; D538-R541 PolarHBondContact OD2-NH2 2.85Å; D538-S542 PolarHBondContact O-OG 3.21Å; D538-Y574 HydrophobicContact CB-CE1 4.43Å; D538-Y574 WeakPolarHBondContact CB-OH 3.32Å; D538-Y574 PolarHBondContact OD2-OH 2.82Å; D538-N579 HydrophobicContact CB-CB 4.5Å
539L92.6Very high87.3Confident1 Ų148.8 Ų48.81%0.00524%0.242CC..Hα-helixtrans-49.2-54.4-179-70.8174.8000112.7I535 R541 S542 I555 L558 R559 L562I535-L539 HydrophobicContact CG2-CD1 4.35Å; I535-L539 HydrophobicContact CG2-CD2 3.98Å; I535-L539 HydrophobicContact CG2-CG 4.04Å; I535-L539 WeakPolarHBondContact O-CG 3.49Å; I535-L539 PolarHBondContact O-N 2.98Å; L539-R541 PolarHBondContact O-N 2.76Å; L539-S542 VanDerWaalsContact O-CB 3.24Å; L539-S542 WeakPolarHBondContact O-CB 3.42Å; L539-S542 PolarHBondContact O-N 2.7Å; L539-S542 VanDerWaalsContact O-N 3.09Å; L539-S542 PolarHBondContact O-OG 2.75Å; L539-S542 VanDerWaalsContact O-OG 3.06Å; L539-I555 HydrophobicContact CB-CD1 4.37Å; L539-I555 HydrophobicContact CB-CG2 4.32Å; L539-I555 HydrophobicContact CD1-CG2 4.24Å; L539-L558 HydrophobicContact CD2-CB 4.03Å; L539-L558 HydrophobicContact CD2-CD2 3.67Å; L539-L558 HydrophobicContact CD2-CG 3.6Å; L539-R559 HydrophobicContact CD1-CB 3.82Å; L539-R559 HydrophobicContact CD1-CG 4.15Å; L539-R559 VanDerWaalsContact CD1-CZ 3.42Å; L539-R559 HydrophobicContact CD2-CB 4.14Å; L539-L562 HydrophobicContact CD2-CD1 4.26Å
540H87.3Confident87.3Confident131 Ų13152.7 Ų52.761%0.60626%0.256SS*.THydrogen-bonded Turntrans-73.1-8.9-174.4-58.393.9000114.6D538D538-H540 PolarHBondContact O-N 3.47Å
541R87.9Confident87.4Confident110 Ų11049.8 Ų49.842%0.41524%0.243SC..THydrogen-bonded Turntrans-100.912.3171.860.8175.5-176.5157.65.7113.1D538 L539D538-R541 WeakPolarHBondContact O-CG 3.41Å; D538-R541 PolarHBondContact O-N 3.44Å; D538-R541 VanDerWaalsContact O-N 3.11Å; D538-R541 IonicContact OD1-CZ 2.74Å; D538-R541 IonicContact OD1-NE 3.71Å; D538-R541 PolarHBondContact OD1-NE 2.67Å; D538-R541 IonicContact OD1-NH2 3.16Å; D538-R541 PolarHBondContact OD1-NH2 3.45Å; D538-R541 IonicContact OD2-CZ 3.78Å; D538-R541 IonicContact OD2-NE 3.52Å; D538-R541 IonicContact OD2-NH2 3.67Å; D538-R541 PolarHBondContact OD2-NH2 2.85Å; L539-R541 PolarHBondContact O-N 2.76Å
542S86.8Confident87.4Confident0 Ų055.8 Ų55.80%027%0.273CS..SBendtrans-97.4106.1-176.5-490000111.2D538 L539 F549 N579 S583D538-S542 PolarHBondContact O-OG 3.21Å; L539-S542 VanDerWaalsContact O-CB 3.24Å; L539-S542 WeakPolarHBondContact O-CB 3.42Å; L539-S542 PolarHBondContact O-N 2.7Å; L539-S542 VanDerWaalsContact O-N 3.09Å; L539-S542 PolarHBondContact O-OG 2.75Å; L539-S542 VanDerWaalsContact O-OG 3.06Å; S542-F549 WeakPolarHBondContact O-CB 3.36Å; S542-N579 WeakPolarHBondContact OG-CB 3.38Å; S542-N579 PolarHBondContact OG-ND2 3.04Å; S542-S583 WeakPolarHBondContact CB-OG 3.3Å
543L83Confident87.3Confident28 Ų2858.9 Ų58.915%0.14729%0.292CS..SBendtrans45.156.5-172.4-59.9-179.3000112.7E545 H546 F549 V584 L587 I658 I663L543-E545 PolarHBondContact O-N 2.69Å; L543-H546 HydrophobicContact CB-CB 4.22Å; L543-H546 PolarHBondContact O-N 3.01Å; L543-F549 HydrophobicContact CB-CD2 4.03Å; L543-F549 HydrophobicContact CD1-CD2 4.43Å; L543-F549 HydrophobicContact CD1-CE2 4.25Å; L543-V584 HydrophobicContact CD1-CG2 3.84Å; L543-L587 HydrophobicContact CD1-CD1 4.37Å; L543-I658 HydrophobicContact CD2-CG2 4.25Å; L543-I663 HydrophobicContact CD1-CD1 4.24Å
544P76.6Confident87.3Confident74 Ų7455 Ų5548%0.48127%0.271SS..THydrogen-bonded Turntrans-63-17.6-16827.2-36.2000114.3Q550P544-Q550 WeakPolarHBondContact O-CG 3.49Å; P544-Q550 PolarHBondContact O-NE2 3.3Å
545E76.6Confident87.4Confident72 Ų7253 Ų5334%0.33626%0.262SS..THydrogen-bonded Turntrans-85.7-15.7178.8-61.4178.3160.100112.8L543 V727 Q729 A730L543-E545 PolarHBondContact O-N 2.69Å; E545-V727 HydrophobicContact CB-CG1 3.85Å; E545-Q729 WeakPolarHBondContact OE1-CA 3.31Å; E545-Q729 VanDerWaalsContact OE2-CA 3.29Å; E545-Q729 WeakPolarHBondContact OE2-CA 3.32Å; E545-Q729 PolarHBondContact OE2-N 3.25Å; E545-A730 PolarHBondContact OE1-N 3.01Å
546H83Confident87.3Confident11 Ų1154.4 Ų54.45%0.05127%0.272CS..SBendtrans-85.6127.1-177.4-167.8-85.3000111.7L543 A548 F549 Q550 L587L543-H546 HydrophobicContact CB-CB 4.22Å; L543-H546 PolarHBondContact O-N 3.01Å; H546-A548 VanDerWaalsContact C-N 3.25Å; H546-A548 WeakPolarHBondContact ND1-CB 3.43Å; H546-A548 PolarHBondContact ND1-N 3.22Å; H546-A548 PolarHBondContact O-N 3.46Å; H546-F549 HydrophobicContact CB-CD2 4.36Å; H546-F549 PolarHBondContact O-N 2.67Å; H546-Q550 PolarHBondContact O-N 2.96Å; H546-L587 WeakPolarHBondContact CE1-CD2 3.33Å
547P84.3Confident87.4Confident64 Ų6450.7 Ų50.742%0.41625%0.254SS..G310 helixtrans-53.4-36.3-173.4-29.735.5000115.1F549 Q550P547-F549 VanDerWaalsContact C-N 3.28Å; P547-F549 PolarHBondContact O-N 2.92Å; P547-Q550 PolarHBondContact O-N 2.94Å; P547-Q550 VanDerWaalsContact O-N 3.15Å
548A84.6Confident87.5Confident0 Ų043.9 Ų43.90%023%0.229CC..G310 helixtrans-57.8-37.7178.300000113.2L438 F442 H546 S551 G554 L587L438-A548 HydrophobicContact CB-CB 4.07Å; L438-A548 HydrophobicContact CD1-CB 4.17Å; F442-A548 HydrophobicContact CB-CB 4.45Å; F442-A548 HydrophobicContact CD2-CB 3.62Å; F442-A548 HydrophobicContact CE2-CB 4.07Å; F442-A548 HydrophobicContact CG-CB 4.01Å; H546-A548 VanDerWaalsContact C-N 3.25Å; H546-A548 WeakPolarHBondContact ND1-CB 3.43Å; H546-A548 PolarHBondContact ND1-N 3.22Å; H546-A548 PolarHBondContact O-N 3.46Å; A548-S551 PolarHBondContact O-N 3.1Å; A548-S551 PolarHBondContact O-OG 2.68Å; A548-G554 WeakPolarHBondContact O-CA 3.38Å; A548-L587 HydrophobicContact CB-CD2 4.09Å
549F87.3Confident87.6Confident10 Ų1047.1 Ų47.14%0.04424%0.241CC..G310 helixtrans-93.11.7-179.2-60-68.1000113.6L438 S542 L543 H546 P547 S551 I555 L558 S583 L586 L587L438-F549 HydrophobicContact CD1-CE1 4.04Å; L438-F549 HydrophobicContact CD1-CZ 3.85Å; S542-F549 WeakPolarHBondContact O-CB 3.36Å; L543-F549 HydrophobicContact CB-CD2 4.03Å; L543-F549 HydrophobicContact CD1-CD2 4.43Å; L543-F549 HydrophobicContact CD1-CE2 4.25Å; H546-F549 HydrophobicContact CB-CD2 4.36Å; H546-F549 PolarHBondContact O-N 2.67Å; P547-F549 VanDerWaalsContact C-N 3.28Å; P547-F549 PolarHBondContact O-N 2.92Å; F549-S551 VanDerWaalsContact C-N 3.31Å; F549-I555 HydrophobicContact CB-CD1 4.32Å; F549-I555 HydrophobicContact CD1-CD1 4.49Å; F549-I555 WeakPolarHBondContact O-CD1 3.15Å; F549-I555 WeakPolarHBondContact O-CG1 3.28Å; F549-L558 HydrophobicContact CD1-CD2 4.23Å; F549-L558 HydrophobicContact CE1-CB 4.22Å; F549-L558 HydrophobicContact CE1-CD2 4.32Å; F549-S583 WeakPolarHBondContact CE1-OG 3.32Å; F549-S583 VanDerWaalsContact CZ-CA 3.42Å; F549-S583 VanDerWaalsContact CZ-O 3.26Å; F549-S583 WeakPolarHBondContact CZ-O 3.46Å; F549-S583 WeakPolarHBondContact CZ-OG 3.16Å; F549-L586 HydrophobicContact CZ-CB 4.33Å; F549-L587 HydrophobicContact CE2-CD2 3.88Å; F549-L587 HydrophobicContact CE2-CG 4.19Å; F549-L587 HydrophobicContact CZ-CD2 4.45Å
550Q85.4Confident87.8Confident137 Ų13748.6 Ų48.664%0.6425%0.246SC*.G310 helixtrans-89.5-0.6161.7-61.7176.92.100111.9P544 H546 P547P544-Q550 WeakPolarHBondContact O-CG 3.49Å; P544-Q550 PolarHBondContact O-NE2 3.3Å; H546-Q550 PolarHBondContact O-N 2.96Å; P547-Q550 PolarHBondContact O-N 2.94Å; P547-Q550 VanDerWaalsContact O-N 3.15Å
551S86.3Confident88.3Confident23 Ų2342.3 Ų42.316%0.16122%0.218CC..SBendtrans-106.7146.4179.982.30000112.6F442 A548 F549 T553 G554 I555F442-S551 WeakPolarHBondContact CZ-OG 3.42Å; A548-S551 PolarHBondContact O-N 3.1Å; A548-S551 PolarHBondContact O-OG 2.68Å; F549-S551 VanDerWaalsContact C-N 3.31Å; S551-T553 PolarHBondContact O-N 2.84Å; S551-G554 PolarHBondContact O-N 3.19Å; S551-G554 PolarHBondContact OG-N 3.17Å; S551-G554 VanDerWaalsContact OG-N 3.1Å; S551-I555 WeakPolarHBondContact O-CG1 3.44Å; S551-I555 PolarHBondContact O-N 2.82Å; S551-I555 VanDerWaalsContact O-N 3.1Å
552D87.6Confident88.7Confident142 Ų14237.1 Ų37.176%0.75920%0.198SC*.Hα-helixtrans-56.5-32.6171.8-72.2-35.5000112.2S556D552-S556 WeakPolarHBondContact O-CB 3.46Å; D552-S556 PolarHBondContact O-N 2.89Å; D552-S556 PolarHBondContact O-OG 3Å
553T88.3Confident89.2Confident78 Ų7837.9 Ų37.948%0.47920%0.202SC..Hα-helixtrans-63.9-54.4179.6-51.90000111.4S551 S556 A557S551-T553 PolarHBondContact O-N 2.84Å; T553-S556 PolarHBondContact O-N 2.9Å; T553-A557 PolarHBondContact O-N 3.26Å
554G90.2Very high89.8Confident0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-68.2-40.2-17900000112.7A548 S551 S556 A557 L558A548-G554 WeakPolarHBondContact O-CA 3.38Å; S551-G554 PolarHBondContact O-N 3.19Å; S551-G554 PolarHBondContact OG-N 3.17Å; S551-G554 VanDerWaalsContact OG-N 3.1Å; G554-S556 VanDerWaalsContact C-N 3.33Å; G554-S556 PolarHBondContact O-N 2.97Å; G554-A557 PolarHBondContact O-N 3.08Å; G554-L558 WeakPolarHBondContact O-CB 3.41Å; G554-L558 PolarHBondContact O-N 3Å
555I93.6Very high90.7Very high9 Ų933 Ų335%0.04617%0.173CC..Hα-helixtrans-64.2-36.9174.4-68.2-66.3000111.6L539 F549 S551 R559L539-I555 HydrophobicContact CB-CD1 4.37Å; L539-I555 HydrophobicContact CB-CG2 4.32Å; L539-I555 HydrophobicContact CD1-CG2 4.24Å; F549-I555 HydrophobicContact CB-CD1 4.32Å; F549-I555 HydrophobicContact CD1-CD1 4.49Å; F549-I555 WeakPolarHBondContact O-CD1 3.15Å; F549-I555 WeakPolarHBondContact O-CG1 3.28Å; S551-I555 WeakPolarHBondContact O-CG1 3.44Å; S551-I555 PolarHBondContact O-N 2.82Å; S551-I555 VanDerWaalsContact O-N 3.1Å; I555-R559 WeakPolarHBondContact O-CB 3.16Å; I555-R559 PolarHBondContact O-N 3.35Å
556S92.8Very high91.5Very high30 Ų3030 Ų3021%0.2116%0.161CC..Hα-helixtrans-71-39.4176-62.60000112.9D552 T553 G554 R559 R560D552-S556 WeakPolarHBondContact O-CB 3.46Å; D552-S556 PolarHBondContact O-N 2.89Å; D552-S556 PolarHBondContact O-OG 3Å; T553-S556 PolarHBondContact O-N 2.9Å; G554-S556 VanDerWaalsContact C-N 3.33Å; G554-S556 PolarHBondContact O-N 2.97Å; S556-R559 PolarHBondContact O-N 3.07Å; S556-R560 WeakPolarHBondContact O-CG 3.1Å; S556-R560 PolarHBondContact O-N 2.82Å
557A94.8Very high92Very high1 Ų134.1 Ų34.11%0.00818%0.176CC..Hα-helixtrans-63.1-46173.400000111.4T553 G554 R559 R560 V561 L586 E591T553-A557 PolarHBondContact O-N 3.26Å; G554-A557 PolarHBondContact O-N 3.08Å; A557-R559 PolarHBondContact O-N 2.89Å; A557-R560 PolarHBondContact O-N 3.26Å; A557-V561 WeakPolarHBondContact O-CG2 3.49Å; A557-V561 PolarHBondContact O-N 2.81Å; A557-L586 HydrophobicContact CB-CD1 4.19Å; A557-L586 HydrophobicContact CB-CD2 4.22Å; A557-E591 HydrophobicContact CB-CG 4.33Å
558L96Very high92.3Very high0 Ų035 Ų350%017%0.171CC..Hα-helixtrans-58.5-46176.1-176.963.3000111.9L539 F549 G554 R560 L562 T582 S583 L586L539-L558 HydrophobicContact CD2-CB 4.03Å; L539-L558 HydrophobicContact CD2-CD2 3.67Å; L539-L558 HydrophobicContact CD2-CG 3.6Å; F549-L558 HydrophobicContact CD1-CD2 4.23Å; F549-L558 HydrophobicContact CE1-CB 4.22Å; F549-L558 HydrophobicContact CE1-CD2 4.32Å; G554-L558 WeakPolarHBondContact O-CB 3.41Å; G554-L558 PolarHBondContact O-N 3Å; L558-R560 PolarHBondContact O-N 3.23Å; L558-L562 HydrophobicContact CD1-CD1 3.85Å; L558-L562 HydrophobicContact CD1-CG 4.17Å; L558-L562 HydrophobicContact CG-CD1 3.9Å; L558-L562 WeakPolarHBondContact O-CB 3.43Å; L558-L562 VanDerWaalsContact O-CG 3.3Å; L558-L562 WeakPolarHBondContact O-CG 3.3Å; L558-L562 PolarHBondContact O-N 2.9Å; L558-L562 VanDerWaalsContact O-N 3.07Å; L558-T582 HydrophobicContact CD1-CG2 3.68Å; L558-S583 WeakPolarHBondContact CD2-OG 3.44Å; L558-L586 HydrophobicContact CB-CD1 4.03Å; L558-L586 HydrophobicContact CD1-CD1 4.17Å
559R95.7Very high92.6Very high68 Ų6836.1 Ų36.126%0.25718%0.177SC..Hα-helixtrans-56.5-49.2174.3-179.8-175.5-73.7105.7-0.6111.9E536 L539 I555 S556 A557 T563E536-R559 WeakPolarHBondContact OE1-CD 3.47Å; E536-R559 IonicContact OE1-CZ 2.75Å; E536-R559 IonicContact OE1-NE 2.64Å; E536-R559 PolarHBondContact OE1-NE 2.98Å; E536-R559 IonicContact OE1-NH2 3.75Å; E536-R559 IonicContact OE2-CZ 3.04Å; E536-R559 IonicContact OE2-NE 3.06Å; E536-R559 PolarHBondContact OE2-NE 2.99Å; E536-R559 IonicContact OE2-NH2 3.18Å; E536-R559 PolarHBondContact OE2-NH2 3.49Å; L539-R559 HydrophobicContact CD1-CB 3.82Å; L539-R559 HydrophobicContact CD1-CG 4.15Å; L539-R559 VanDerWaalsContact CD1-CZ 3.42Å; L539-R559 HydrophobicContact CD2-CB 4.14Å; I555-R559 WeakPolarHBondContact O-CB 3.16Å; I555-R559 PolarHBondContact O-N 3.35Å; S556-R559 PolarHBondContact O-N 3.07Å; A557-R559 PolarHBondContact O-N 2.89Å; R559-T563 WeakPolarHBondContact O-CB 3.47Å; R559-T563 PolarHBondContact O-N 2.96Å; R559-T563 PolarHBondContact O-OG1 3.46Å
560R96.1Very high92.4Very high32 Ų3238.6 Ų38.612%0.12119%0.194CC..Hα-helixtrans-62.8-49.2-178.7-74.7-172.2-61.2-109.78111.8A432 Y517 V521 S556 A557 L558 T563 A564 E591A432-R560 PolarHBondContact O-NH1 3.22Å; A432-R560 PolarHBondContact O-NH2 2.93Å; Y517-R560 WeakPolarHBondContact OH-CB 3.32Å; V521-R560 HydrophobicContact CG1-CG 4.21Å; V521-R560 HydrophobicContact CG2-CB 4.29Å; S556-R560 WeakPolarHBondContact O-CG 3.1Å; S556-R560 PolarHBondContact O-N 2.82Å; A557-R560 PolarHBondContact O-N 3.26Å; L558-R560 PolarHBondContact O-N 3.23Å; R560-T563 PolarHBondContact O-N 3.37Å; R560-A564 WeakPolarHBondContact O-CB 3.09Å; R560-A564 PolarHBondContact O-N 2.94Å; R560-E591 IonicContact CZ-OE1 3.33Å; R560-E591 IonicContact CZ-OE2 3.66Å; R560-E591 IonicContact NE-OE1 3.13Å; R560-E591 PolarHBondContact NE-OE1 2.9Å; R560-E591 IonicContact NE-OE2 3.64Å; R560-E591 IonicContact NH2-OE1 3.78Å; R560-E591 PolarHBondContact NH2-OE1 2.74Å; R560-E591 IonicContact NH2-OE2 2.67Å; R560-E591 PolarHBondContact NH2-OE2 3.15Å
561V97.4Very high92.1Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-61.7-48.6-179.1174.40000111.8Y517 A557 T563 Y565 T582 L586 E591 F595 L598Y517-V561 HydrophobicContact CE2-CG2 4.32Å; Y517-V561 WeakPolarHBondContact OH-CG2 3.27Å; A557-V561 WeakPolarHBondContact O-CG2 3.49Å; A557-V561 PolarHBondContact O-N 2.81Å; V561-T563 PolarHBondContact O-N 3.14Å; V561-Y565 WeakPolarHBondContact O-CB 3.22Å; V561-Y565 PolarHBondContact O-N 3.36Å; V561-T582 HydrophobicContact CB-CG2 3.93Å; V561-T582 HydrophobicContact CG1-CG2 3.5Å; V561-L586 HydrophobicContact CG2-CD2 4.18Å; V561-E591 HydrophobicContact CG2-CG 3.77Å; V561-F595 HydrophobicContact CG1-CB 3.97Å; V561-F595 HydrophobicContact CG1-CD2 4.49Å; V561-F595 HydrophobicContact CG2-CB 4.4Å; V561-L598 HydrophobicContact CG1-CD2 4.07Å
562L96.9Very high92.1Very high1 Ų136.9 Ų36.91%0.00518%0.183CC..Hα-helixtrans-63.7-41.7179.3-68.4173.1000112.2I535 L539 L558 Y565 A566 Y574 M578 N579 T582 L598I535-L562 HydrophobicContact CD1-CB 3.77Å; I535-L562 HydrophobicContact CG1-CB 4.05Å; I535-L562 HydrophobicContact CG1-CD1 4.43Å; I535-L562 HydrophobicContact CG2-CB 4.19Å; I535-L562 HydrophobicContact CG2-CD1 4.07Å; L539-L562 HydrophobicContact CD2-CD1 4.26Å; L558-L562 HydrophobicContact CD1-CD1 3.85Å; L558-L562 HydrophobicContact CD1-CG 4.17Å; L558-L562 HydrophobicContact CG-CD1 3.9Å; L558-L562 WeakPolarHBondContact O-CB 3.43Å; L558-L562 VanDerWaalsContact O-CG 3.3Å; L558-L562 WeakPolarHBondContact O-CG 3.3Å; L558-L562 PolarHBondContact O-N 2.9Å; L558-L562 VanDerWaalsContact O-N 3.07Å; L562-Y565 PolarHBondContact O-N 3.41Å; L562-A566 WeakPolarHBondContact O-CB 3.47Å; L562-A566 PolarHBondContact O-N 3.48Å; L562-Y574 HydrophobicContact CD1-CE2 4.11Å; L562-Y574 HydrophobicContact CD2-CD2 4.25Å; L562-Y574 HydrophobicContact CD2-CE2 4.07Å; L562-M578 HydrophobicContact CD2-CB 4.11Å; L562-N579 HydrophobicContact CD1-CB 4Å; L562-T582 HydrophobicContact CD2-CG2 4.27Å; L562-T582 WeakPolarHBondContact CD2-OG1 3.5Å; L562-T582 HydrophobicContact CG-CG2 4.37Å; L562-L598 HydrophobicContact CD2-CD2 4.29Å
563T95.9Very high92.2Very high15 Ų1530.5 Ų30.59%0.09215%0.151CC..Hα-helixtrans-71.8-41.9-178-55.70000111.6T532 R559 R560 V561 Y565 A566 Y567T532-T563 HydrophobicContact CG2-CG2 3.87Å; R559-T563 WeakPolarHBondContact O-CB 3.47Å; R559-T563 PolarHBondContact O-N 2.96Å; R559-T563 PolarHBondContact O-OG1 3.46Å; R560-T563 PolarHBondContact O-N 3.37Å; V561-T563 PolarHBondContact O-N 3.14Å; T563-Y565 VanDerWaalsContact C-N 3.33Å; T563-Y565 PolarHBondContact O-N 2.88Å; T563-A566 PolarHBondContact O-N 2.69Å; T563-Y567 WeakPolarHBondContact O-CB 3.45Å; T563-Y567 PolarHBondContact O-N 2.91Å
564A96.6Very high92.4Very high0 Ų027.6 Ų27.60%013%0.131CC..Hα-helixtrans-62.8-39.1173.800000111.7Y517 L520 V521 R560 Y567 R568 F595Y517-A564 HydrophobicContact CD2-CB 4.25Å; Y517-A564 HydrophobicContact CE2-CB 3.87Å; L520-A564 HydrophobicContact CB-CB 4.05Å; V521-A564 HydrophobicContact CG2-CB 4.01Å; R560-A564 WeakPolarHBondContact O-CB 3.09Å; R560-A564 PolarHBondContact O-N 2.94Å; A564-Y567 PolarHBondContact O-N 3.06Å; A564-R568 WeakPolarHBondContact O-CB 3.12Å; A564-R568 PolarHBondContact O-N 3.42Å; A564-F595 HydrophobicContact CB-CD2 4.32Å; A564-F595 HydrophobicContact CB-CE2 4.13Å
565Y96.1Very high92.4Very high0 Ų028.7 Ų28.70%014%0.138CC..Hα-helixtrans-66.3-48.9174.7-179.6-89.5000112.2V561 L562 T563 Y567 R568 N569 I572 M578 L598 V599 C602 E603V561-Y565 WeakPolarHBondContact O-CB 3.22Å; V561-Y565 PolarHBondContact O-N 3.36Å; L562-Y565 PolarHBondContact O-N 3.41Å; T563-Y565 VanDerWaalsContact C-N 3.33Å; T563-Y565 PolarHBondContact O-N 2.88Å; Y565-Y567 PolarHBondContact O-N 3.44Å; Y565-R568 PolarHBondContact O-N 3.35Å; Y565-R568 VanDerWaalsContact O-N 3.11Å; Y565-N569 PolarHBondContact O-N 2.93Å; Y565-I572 HydrophobicContact CE1-CB 4.29Å; Y565-I572 HydrophobicContact CE1-CG2 3.8Å; Y565-I572 VanDerWaalsContact OH-CD1 3.28Å; Y565-I572 WeakPolarHBondContact OH-CD1 3.46Å; Y565-M578 HydrophobicContact CD1-CE 3.36Å; Y565-M578 HydrophobicContact CE1-CE 3.49Å; Y565-M578 VanDerWaalsContact CE1-CE 3.49Å; Y565-M578 HydrophobicContact CG-CE 4.31Å; Y565-L598 HydrophobicContact CD1-CD2 4.35Å; Y565-L598 HydrophobicContact CD2-CD2 4.24Å; Y565-L598 HydrophobicContact CD2-CG 4.23Å; Y565-L598 HydrophobicContact CG-CD2 3.83Å; Y565-L598 HydrophobicContact CG-CG 4.25Å; Y565-V599 HydrophobicContact CD2-CG2 3.74Å; Y565-V599 HydrophobicContact CE2-CB 4.44Å; Y565-V599 HydrophobicContact CE2-CG2 3.9Å; Y565-C602 HydrophobicContact CE1-CB 4.41Å; Y565-C602 HydrophobicContact CE2-CB 4.29Å; Y565-C602 WeakPolarHBondContact OH-CB 3.39Å; Y565-E603 HydrophobicContact CE2-CG 4.43Å
566A93.6Very high92.1Very high10 Ų1033.7 Ų33.78%0.08316%0.161CC..Hα-helixtrans-60.5-30.917800000112.5A531 I535 L562 T563 N569 P570 G573A531-A566 HydrophobicContact CB-CB 4.01Å; I535-A566 HydrophobicContact CD1-CB 4.38Å; L562-A566 WeakPolarHBondContact O-CB 3.47Å; L562-A566 PolarHBondContact O-N 3.48Å; T563-A566 PolarHBondContact O-N 2.69Å; A566-N569 CarbonylContact O-C 3.59Å; A566-P570 WeakPolarHBondContact O-CA 3.38Å; A566-G573 WeakPolarHBondContact CA-O 3.32Å; A566-G573 WeakPolarHBondContact CB-O 3.32Å
567Y92.9Very high92Very high96 Ų9632.7 Ų32.738%0.37616%0.155SC..Hα-helixtrans-74.4-44.3172.3-169.5-86.4000112.7L520 Q523 T527 T563 A564 Y565 N569 P570L520-Y567 HydrophobicContact CD2-CD1 3.86Å; L520-Y567 HydrophobicContact CD2-CE1 4.44Å; Q523-Y567 HydrophobicContact CB-CE1 3.83Å; T527-Y567 HydrophobicContact CG2-CD2 4.4Å; T527-Y567 HydrophobicContact CG2-CE2 4.21Å; T563-Y567 WeakPolarHBondContact O-CB 3.45Å; T563-Y567 PolarHBondContact O-N 2.91Å; A564-Y567 PolarHBondContact O-N 3.06Å; Y565-Y567 PolarHBondContact O-N 3.44Å; Y567-N569 PolarHBondContact O-N 3.32Å; Y567-P570 WeakPolarHBondContact O-CD 3.29Å; Y567-P570 WeakPolarHBondContact O-CG 3.47Å
568R91.4Very high92Very high83 Ų8332.6 Ų32.631%0.31315%0.154SC..Hα-helixtrans-60.5-43.6177.3-175.1-170.8162-73.718.8111.8L520 A564 Y565 E603L520-R568 HydrophobicContact CD1-CB 3.87Å; L520-R568 HydrophobicContact CD1-CG 4.02Å; L520-R568 HydrophobicContact CD2-CB 3.95Å; L520-R568 HydrophobicContact CD2-CG 4.42Å; A564-R568 WeakPolarHBondContact O-CB 3.12Å; A564-R568 PolarHBondContact O-N 3.42Å; Y565-R568 PolarHBondContact O-N 3.35Å; Y565-R568 VanDerWaalsContact O-N 3.11Å; R568-E603 IonicContact CZ-OE1 2.64Å; R568-E603 IonicContact CZ-OE2 3.28Å; R568-E603 VanDerWaalsContact CZ-OE2 3.32Å; R568-E603 IonicContact NH1-OE1 2.81Å; R568-E603 PolarHBondContact NH1-OE1 3.14Å; R568-E603 IonicContact NH1-OE2 2.74Å; R568-E603 PolarHBondContact NH1-OE2 3.25Å; R568-E603 IonicContact NH2-OE1 3.52Å; R568-E603 IonicContact NH2-OE2 2.91Å; R568-E603 PolarHBondContact NH2-OE2 3.45Å
569N88.9Confident92Very high23 Ų2332.8 Ų32.812%0.12316%0.155CC..  trans-127.781.9178.8-170.4-15.8000111.3Y565 A566 Y567 K571 I572 G573 E603Y565-N569 PolarHBondContact O-N 2.93Å; A566-N569 CarbonylContact O-C 3.59Å; Y567-N569 PolarHBondContact O-N 3.32Å; N569-K571 PolarHBondContact O-N 3.32Å; N569-K571 VanDerWaalsContact OD1-CB 3.22Å; N569-K571 WeakPolarHBondContact OD1-CB 3.49Å; N569-K571 WeakPolarHBondContact OD1-CG 3.21Å; N569-K571 PolarHBondContact OD1-N 2.78Å; N569-K571 VanDerWaalsContact OD1-N 3.15Å; N569-I572 PolarHBondContact O-N 3.44Å; N569-I572 PolarHBondContact OD1-N 3.02Å; N569-G573 PolarHBondContact O-N 3Å; N569-E603 WeakPolarHBondContact CB-OE1 3.4Å; N569-E603 PolarHBondContact ND2-OE1 3.36Å
570P84.8Confident91.9Very high62 Ų6230.8 Ų30.840%0.40315%0.149SC..THydrogen-bonded Turntrans-64.6-11.2178.8-2335.9000114.1A566 Y567 R961A566-P570 WeakPolarHBondContact O-CA 3.38Å; Y567-P570 WeakPolarHBondContact O-CD 3.29Å; Y567-P570 WeakPolarHBondContact O-CG 3.47Å; P570-R961 VanDerWaalsContact C-NH1 3.34Å; P570-R961 PolarHBondContact O-NH1 3.33Å
571K78.4Confident91.9Very high98 Ų9829.4 Ų29.443%0.42614%0.144SC..THydrogen-bonded Turntrans-74.6-41.5-179-46.4168.2174.2-139.80110.7E258 N569E258-K571 VanDerWaalsContact CD-NZ 3.32Å; E258-K571 IonicContact OE1-NZ 2.75Å; E258-K571 WeakPolarHBondContact OE2-CD 3.49Å; E258-K571 WeakPolarHBondContact OE2-CE 3.31Å; E258-K571 WeakPolarHBondContact OE2-CG 3.3Å; E258-K571 IonicContact OE2-NZ 3.56Å; E258-K571 PolarHBondContact OE2-NZ 2.93Å; N569-K571 PolarHBondContact O-N 3.32Å; N569-K571 VanDerWaalsContact OD1-CB 3.22Å; N569-K571 WeakPolarHBondContact OD1-CB 3.49Å; N569-K571 WeakPolarHBondContact OD1-CG 3.21Å; N569-K571 PolarHBondContact OD1-N 2.78Å; N569-K571 VanDerWaalsContact OD1-N 3.15Å
572I86.5Confident91.8Very high27 Ų2729.4 Ų29.414%0.13814%0.144CC..THydrogen-bonded Turntrans-80.2-48.2167.2-67.4175.4000108.7Y565 N569 Y574 M578 E603 F610Y565-I572 HydrophobicContact CE1-CB 4.29Å; Y565-I572 HydrophobicContact CE1-CG2 3.8Å; Y565-I572 VanDerWaalsContact OH-CD1 3.28Å; Y565-I572 WeakPolarHBondContact OH-CD1 3.46Å; N569-I572 PolarHBondContact O-N 3.44Å; N569-I572 PolarHBondContact OD1-N 3.02Å; I572-Y574 PolarHBondContact O-N 3.26Å; I572-M578 HydrophobicContact CG2-SD 4.4Å; I572-E603 HydrophobicContact CD1-CG 4.4Å; I572-F610 HydrophobicContact CG2-CB 3.88Å; I572-F610 WeakPolarHBondContact CG2-O 3.4Å
573G89.4Confident91.7Very high8 Ų829.4 Ų29.48%0.08214%0.144CC..  trans65.7-115.3-179.700000110.6A566 N569A566-G573 WeakPolarHBondContact CA-O 3.32Å; A566-G573 WeakPolarHBondContact CB-O 3.32Å; N569-G573 PolarHBondContact O-N 3Å
574Y91.9Very high91.7Very high17 Ų1728.7 Ų28.77%0.06714%0.14CC..  trans-128.2134.9172.7175.4-104.6000109.7E534 I535 D538 L562 I572 M578 N579E534-Y574 HydrophobicContact CB-CD1 3.77Å; E534-Y574 HydrophobicContact CB-CE1 4.07Å; I535-Y574 HydrophobicContact CD1-CD2 4.09Å; I535-Y574 HydrophobicContact CD1-CG 4.15Å; I535-Y574 HydrophobicContact CG1-CD1 3.98Å; I535-Y574 HydrophobicContact CG1-CD2 3.47Å; I535-Y574 VanDerWaalsContact CG1-CD2 3.47Å; I535-Y574 HydrophobicContact CG1-CE1 4.32Å; I535-Y574 HydrophobicContact CG1-CE2 3.86Å; I535-Y574 HydrophobicContact CG1-CG 3.54Å; D538-Y574 HydrophobicContact CB-CE1 4.43Å; D538-Y574 WeakPolarHBondContact CB-OH 3.32Å; D538-Y574 PolarHBondContact OD2-OH 2.82Å; L562-Y574 HydrophobicContact CD1-CE2 4.11Å; L562-Y574 HydrophobicContact CD2-CD2 4.25Å; L562-Y574 HydrophobicContact CD2-CE2 4.07Å; I572-Y574 PolarHBondContact O-N 3.26Å; Y574-M578 HydrophobicContact CD2-CB 4.24Å; Y574-M578 HydrophobicContact CD2-SD 4.49Å; Y574-M578 HydrophobicContact CE2-CB 4.02Å; Y574-N579 HydrophobicContact CE2-CB 4.29Å; Y574-N579 WeakPolarHBondContact OH-CB 3.31Å; Y574-N579 VanDerWaalsContact OH-CG 3.25Å; Y574-N579 PolarHBondContact OH-OD1 3.39Å
575C90.9Very high91.7Very high22 Ų2228.7 Ų28.715%0.14914%0.14CC..  trans-121.1133172.2-177.50000108.5A577 M578 F610C575-A577 PolarHBondContact O-N 3.38Å; C575-M578 HydrophobicContact CB-CG 4.21Å; C575-M578 HydrophobicContact CB-SD 3.8Å; C575-M578 PolarHBondContact N-SD 3.28Å; C575-M578 VanDerWaalsContact O-CB 3.28Å; C575-M578 WeakPolarHBondContact O-CB 3.41Å; C575-M578 VanDerWaalsContact O-CG 3.32Å; C575-M578 WeakPolarHBondContact O-CG 3.38Å; C575-M578 PolarHBondContact O-N 2.98Å; C575-F610 HydrophobicContact CB-CB 3.8Å; C575-F610 HydrophobicContact CB-CD1 4.07Å; C575-F610 HydrophobicContact CB-CG 4.43Å; C575-F610 WeakPolarHBondContact CB-O 3.49Å
576Q86.3Confident91.6Very high115 Ų11528.9 Ų28.954%0.53714%0.141SC..THydrogen-bonded Turntrans-54.3134.9170.6-176.3177.4-45.100109.3
577A91.4Very high91.6Very high8 Ų828.4 Ų28.47%0.06614%0.137CC..THydrogen-bonded Turntrans100.8-31-164.100000114.7C575 N579 I580 L581 L654 T655C575-A577 PolarHBondContact O-N 3.38Å; A577-N579 PolarHBondContact N-OD1 2.84Å; A577-N579 PolarHBondContact O-N 2.88Å; A577-I580 PolarHBondContact O-N 3.2Å; A577-I580 VanDerWaalsContact O-N 3.1Å; A577-L581 PolarHBondContact O-N 3.31Å; A577-L581 VanDerWaalsContact O-N 3.15Å; A577-L654 HydrophobicContact CB-CB 3.99Å; A577-T655 HydrophobicContact CB-CG2 3.77Å
578M95.1Very high91.6Very high0 Ų024.6 Ų24.60%012%0.122CC..Hα-helixtrans-61.7-31.5177.8-70.9172.459.600112.5L562 Y565 I572 Y574 C575 T582 L598 F610L562-M578 HydrophobicContact CD2-CB 4.11Å; Y565-M578 HydrophobicContact CD1-CE 3.36Å; Y565-M578 HydrophobicContact CE1-CE 3.49Å; Y565-M578 VanDerWaalsContact CE1-CE 3.49Å; Y565-M578 HydrophobicContact CG-CE 4.31Å; I572-M578 HydrophobicContact CG2-SD 4.4Å; Y574-M578 HydrophobicContact CD2-CB 4.24Å; Y574-M578 HydrophobicContact CD2-SD 4.49Å; Y574-M578 HydrophobicContact CE2-CB 4.02Å; C575-M578 HydrophobicContact CB-CG 4.21Å; C575-M578 HydrophobicContact CB-SD 3.8Å; C575-M578 PolarHBondContact N-SD 3.28Å; C575-M578 VanDerWaalsContact O-CB 3.28Å; C575-M578 WeakPolarHBondContact O-CB 3.41Å; C575-M578 VanDerWaalsContact O-CG 3.32Å; C575-M578 WeakPolarHBondContact O-CG 3.38Å; C575-M578 PolarHBondContact O-N 2.98Å; M578-T582 VanDerWaalsContact O-CB 3.23Å; M578-T582 WeakPolarHBondContact O-CB 3.11Å; M578-T582 PolarHBondContact O-N 3.17Å; M578-T582 PolarHBondContact O-OG1 3.2Å; M578-L598 HydrophobicContact CE-CD1 4.28Å; M578-L598 HydrophobicContact CE-CD2 4.24Å; M578-F610 HydrophobicContact CG-CB 4.4Å; M578-F610 HydrophobicContact CG-CD1 3.65Å; M578-F610 HydrophobicContact CG-CE1 4.11Å; M578-F610 HydrophobicContact CG-CG 4.04Å; M578-F610 HydrophobicContact SD-CB 4.03Å; M578-F610 HydrophobicContact SD-CD1 4.38Å; M578-F610 HydrophobicContact SD-CG 4.29Å
579N95.1Very high91.8Very high4 Ų420.7 Ų20.72%0.02111%0.107CC..Hα-helixtrans-61.5-45.7173.363.6-47.8000112.5D538 S542 L562 Y574 A577 T582 S583D538-N579 HydrophobicContact CB-CB 4.5Å; S542-N579 WeakPolarHBondContact OG-CB 3.38Å; S542-N579 PolarHBondContact OG-ND2 3.04Å; L562-N579 HydrophobicContact CD1-CB 4Å; Y574-N579 HydrophobicContact CE2-CB 4.29Å; Y574-N579 WeakPolarHBondContact OH-CB 3.31Å; Y574-N579 VanDerWaalsContact OH-CG 3.25Å; Y574-N579 PolarHBondContact OH-OD1 3.39Å; A577-N579 PolarHBondContact N-OD1 2.84Å; A577-N579 PolarHBondContact O-N 2.88Å; N579-T582 PolarHBondContact O-N 3.43Å; N579-S583 WeakPolarHBondContact O-CB 3.44Å; N579-S583 PolarHBondContact O-N 3.04Å; N579-S583 PolarHBondContact O-OG 3.48Å
580I94.3Very high92.1Very high26 Ų2623.8 Ų23.813%0.13312%0.12CC..Hα-helixtrans-63.1-46.5179-55.8-53.7000110.6A577 V584 I658A577-I580 PolarHBondContact O-N 3.2Å; A577-I580 VanDerWaalsContact O-N 3.1Å; I580-V584 PolarHBondContact O-N 2.93Å; I580-I658 HydrophobicContact CG2-CB 3.9Å; I580-I658 HydrophobicContact CG2-CG2 3.45Å; I580-I658 VanDerWaalsContact CG2-CG2 3.45Å
581L95.2Very high92.6Very high3 Ų320.9 Ų20.92%0.01610%0.101CC..Hα-helixtrans-60.4-52.6175.7178.564.6000111.3A577 S583 V584 L585 L598 V601 L656 I658A577-L581 PolarHBondContact O-N 3.31Å; A577-L581 VanDerWaalsContact O-N 3.15Å; L581-S583 VanDerWaalsContact C-N 3.27Å; L581-S583 PolarHBondContact O-N 3.04Å; L581-V584 PolarHBondContact O-N 3.36Å; L581-L585 HydrophobicContact CD1-CG 4.48Å; L581-L585 HydrophobicContact CG-CD1 4.16Å; L581-L585 HydrophobicContact CG-CG 4.41Å; L581-L585 WeakPolarHBondContact O-CG 3.21Å; L581-L585 PolarHBondContact O-N 3.06Å; L581-L598 HydrophobicContact CD2-CD1 4.2Å; L581-V601 HydrophobicContact CD2-CB 4.19Å; L581-V601 HydrophobicContact CD2-CG1 3.7Å; L581-L656 HydrophobicContact CD1-CD1 3.97Å; L581-I658 HydrophobicContact CD1-CD1 4.08Å
582T96.8Very high93.4Very high0 Ų018.9 Ų18.90%09%0.093CC..Hα-helixtrans-62.1-35.4-176.5-54.40000111.9L558 V561 L562 M578 N579 V584 L585 L586L558-T582 HydrophobicContact CD1-CG2 3.68Å; V561-T582 HydrophobicContact CB-CG2 3.93Å; V561-T582 HydrophobicContact CG1-CG2 3.5Å; L562-T582 HydrophobicContact CD2-CG2 4.27Å; L562-T582 WeakPolarHBondContact CD2-OG1 3.5Å; L562-T582 HydrophobicContact CG-CG2 4.37Å; M578-T582 VanDerWaalsContact O-CB 3.23Å; M578-T582 WeakPolarHBondContact O-CB 3.11Å; M578-T582 PolarHBondContact O-N 3.17Å; M578-T582 PolarHBondContact O-OG1 3.2Å; N579-T582 PolarHBondContact O-N 3.43Å; T582-V584 PolarHBondContact O-N 2.81Å; T582-L585 PolarHBondContact O-N 3.31Å; T582-L586 HydrophobicContact CG2-CD1 4.13Å; T582-L586 HydrophobicContact CG2-CG 4.47Å; T582-L586 WeakPolarHBondContact O-CB 3.46Å; T582-L586 WeakPolarHBondContact O-CG 3.49Å; T582-L586 PolarHBondContact O-N 3.37Å
583S94.8Very high94Very high0 Ų019.3 Ų19.30%09%0.094CC..Hα-helixtrans-56.6-46.6171.2-80.60000111.9S542 F549 L558 N579 L581 L586 L587S542-S583 WeakPolarHBondContact CB-OG 3.3Å; F549-S583 WeakPolarHBondContact CE1-OG 3.32Å; F549-S583 VanDerWaalsContact CZ-CA 3.42Å; F549-S583 VanDerWaalsContact CZ-O 3.26Å; F549-S583 WeakPolarHBondContact CZ-O 3.46Å; F549-S583 WeakPolarHBondContact CZ-OG 3.16Å; L558-S583 WeakPolarHBondContact CD2-OG 3.44Å; N579-S583 WeakPolarHBondContact O-CB 3.44Å; N579-S583 PolarHBondContact O-N 3.04Å; N579-S583 PolarHBondContact O-OG 3.48Å; L581-S583 VanDerWaalsContact C-N 3.27Å; L581-S583 PolarHBondContact O-N 3.04Å; S583-L586 PolarHBondContact O-N 3.09Å; S583-L587 WeakPolarHBondContact O-CG 3.46Å; S583-L587 PolarHBondContact O-N 3.3Å
584V94.8Very high94.4Very high1 Ų118.9 Ų18.91%0.0069%0.09CC..Hα-helixtrans-67-38.2176.8179.90000112.1W500 L543 I580 L581 T582 L586 L587 Y588 I658 I663 V667W500-V584 HydrophobicContact CH2-CG1 4.05Å; W500-V584 HydrophobicContact CZ3-CG1 4.45Å; L543-V584 HydrophobicContact CD1-CG2 3.84Å; I580-V584 PolarHBondContact O-N 2.93Å; L581-V584 PolarHBondContact O-N 3.36Å; T582-V584 PolarHBondContact O-N 2.81Å; V584-L586 VanDerWaalsContact C-N 3.34Å; V584-L586 PolarHBondContact O-N 3.34Å; V584-L587 WeakPolarHBondContact O-CB 3.1Å; V584-L587 PolarHBondContact O-N 3.21Å; V584-Y588 HydrophobicContact CG1-CD2 4.43Å; V584-Y588 HydrophobicContact CG1-CE2 4.42Å; V584-Y588 WeakPolarHBondContact O-CD2 3.33Å; V584-I658 HydrophobicContact CB-CD1 4.17Å; V584-I658 HydrophobicContact CG2-CD1 3.82Å; V584-I658 HydrophobicContact CG2-CG1 4.27Å; V584-I658 HydrophobicContact CG2-CG2 3.62Å; V584-I663 HydrophobicContact CG1-CD1 4.33Å; V584-I663 HydrophobicContact CG2-CD1 3.55Å; V584-V667 HydrophobicContact CG1-CG1 4.06Å
585L96.6Very high94.7Very high0 Ų018.1 Ų18.10%09%0.087CC..Hα-helixtrans-61.3-43176.5-59.3177.5000111.5W500 L581 T582 L587 Y588 A589 A594 L597 L598 F674W500-L585 HydrophobicContact CE3-CD2 4.08Å; W500-L585 HydrophobicContact CZ3-CD2 4.11Å; L581-L585 HydrophobicContact CD1-CG 4.48Å; L581-L585 HydrophobicContact CG-CD1 4.16Å; L581-L585 HydrophobicContact CG-CG 4.41Å; L581-L585 WeakPolarHBondContact O-CG 3.21Å; L581-L585 PolarHBondContact O-N 3.06Å; T582-L585 PolarHBondContact O-N 3.31Å; L585-L587 VanDerWaalsContact C-N 3.26Å; L585-L587 PolarHBondContact O-N 3.07Å; L585-Y588 PolarHBondContact O-N 2.79Å; L585-A589 WeakPolarHBondContact O-CB 3.16Å; L585-A589 PolarHBondContact O-N 3.29Å; L585-A594 HydrophobicContact CB-CB 3.91Å; L585-L597 HydrophobicContact CD1-CB 3.84Å; L585-L597 HydrophobicContact CD2-CB 4.08Å; L585-L597 HydrophobicContact CD2-CD1 4.04Å; L585-L597 HydrophobicContact CG-CB 4.43Å; L585-L598 HydrophobicContact CD1-CB 4.21Å; L585-F674 HydrophobicContact CD2-CE2 3.97Å; L585-F674 HydrophobicContact CD2-CZ 3.75Å
586L95.6Very high95Very high3 Ų317.2 Ų17.22%0.0168%0.081CC..Hα-helixtrans-67.6-19.3177.2-76.7168.8000114.3L438 F549 A557 L558 V561 T582 S583 V584 E591 A594L438-L586 WeakPolarHBondContact CB-O 3.13Å; L438-L586 HydrophobicContact CD1-CB 3.82Å; L438-L586 HydrophobicContact CG-CB 4.4Å; L438-L586 VanDerWaalsContact CG-O 3.3Å; L438-L586 WeakPolarHBondContact CG-O 3.2Å; L438-L586 PolarHBondContact N-O 2.53Å; F549-L586 HydrophobicContact CZ-CB 4.33Å; A557-L586 HydrophobicContact CB-CD1 4.19Å; A557-L586 HydrophobicContact CB-CD2 4.22Å; L558-L586 HydrophobicContact CB-CD1 4.03Å; L558-L586 HydrophobicContact CD1-CD1 4.17Å; V561-L586 HydrophobicContact CG2-CD2 4.18Å; T582-L586 HydrophobicContact CG2-CD1 4.13Å; T582-L586 HydrophobicContact CG2-CG 4.47Å; T582-L586 WeakPolarHBondContact O-CB 3.46Å; T582-L586 WeakPolarHBondContact O-CG 3.49Å; T582-L586 PolarHBondContact O-N 3.37Å; S583-L586 PolarHBondContact O-N 3.09Å; V584-L586 VanDerWaalsContact C-N 3.34Å; V584-L586 PolarHBondContact O-N 3.34Å; L586-E591 HydrophobicContact CD2-CB 4.34Å; L586-E591 HydrophobicContact CD2-CG 4.15Å; L586-A594 HydrophobicContact CD2-CB 3.78Å; L586-A594 HydrophobicContact CG-CB 3.99Å
587L92.4Very high95.5Very high1 Ų111.8 Ų11.81%0.0056%0.055CC..Hα-helixtrans-68.3-40.8172.9-69.1-176.9000111.7L438 M439 L543 H546 A548 F549 S583 V584 L585 I663L438-L587 HydrophobicContact CB-CD2 4.24Å; M439-L587 WeakPolarHBondContact CB-O 3.37Å; M439-L587 HydrophobicContact CG-CB 3.87Å; M439-L587 HydrophobicContact CG-CD2 4.35Å; M439-L587 WeakPolarHBondContact CG-O 3.44Å; M439-L587 PolarHBondContact N-O 3.28Å; M439-L587 HydrophobicContact SD-CD2 4.38Å; L543-L587 HydrophobicContact CD1-CD1 4.37Å; H546-L587 WeakPolarHBondContact CE1-CD2 3.33Å; A548-L587 HydrophobicContact CB-CD2 4.09Å; F549-L587 HydrophobicContact CE2-CD2 3.88Å; F549-L587 HydrophobicContact CE2-CG 4.19Å; F549-L587 HydrophobicContact CZ-CD2 4.45Å; S583-L587 WeakPolarHBondContact O-CG 3.46Å; S583-L587 PolarHBondContact O-N 3.3Å; V584-L587 WeakPolarHBondContact O-CB 3.1Å; V584-L587 PolarHBondContact O-N 3.21Å; L585-L587 VanDerWaalsContact C-N 3.26Å; L585-L587 PolarHBondContact O-N 3.07Å; L587-I663 HydrophobicContact CD1-CG1 4.4Å
588Y93.4Very high95.8Very high15 Ų1511.4 Ų11.46%0.0595%0.052CC..Hα-helixtrans-113.6-10-168.2-61.1-76.5000115.4M439 E493 R496 G497 W500 V584 L585 V667M439-Y588 HydrophobicContact CG-CD1 4.46Å; M439-Y588 HydrophobicContact CG-CE1 4.14Å; E493-Y588 HydrophobicContact CB-CE1 4.33Å; E493-Y588 HydrophobicContact CG-CE1 4.2Å; R496-Y588 HydrophobicContact CB-CD1 4.15Å; R496-Y588 HydrophobicContact CB-CG 4.12Å; G497-Y588 VanDerWaalsContact CA-O 3.22Å; G497-Y588 WeakPolarHBondContact CA-O 3.28Å; G497-Y588 PolarHBondContact N-O 3.05Å; W500-Y588 AromaticContact CH2-CD2 3.57Å; W500-Y588 HydrophobicContact CH2-CD2 3.57Å; W500-Y588 HydrophobicContact CH2-CE2 4.32Å; W500-Y588 HydrophobicContact CH2-CG 4.09Å; W500-Y588 AromaticContact CZ3-CD2 3.92Å; W500-Y588 HydrophobicContact CZ3-CD2 3.92Å; W500-Y588 HydrophobicContact CZ3-CG 4.27Å; V584-Y588 HydrophobicContact CG1-CD2 4.43Å; V584-Y588 HydrophobicContact CG1-CE2 4.42Å; V584-Y588 WeakPolarHBondContact O-CD2 3.33Å; L585-Y588 PolarHBondContact O-N 2.79Å; Y588-V667 HydrophobicContact CD2-CG1 4.4Å; Y588-V667 HydrophobicContact CE2-CB 4.44Å; Y588-V667 HydrophobicContact CE2-CG1 3.47Å; Y588-V667 VanDerWaalsContact CE2-CG1 3.47Å
589A95Very high95.8Very high1 Ų111.6 Ų11.61%0.0085%0.053CC..SBendtrans-124.3157.2176.800000110.9A437 L585 E593 A594 L597A437-A589 WeakPolarHBondContact CA-O 3.21Å; A437-A589 WeakPolarHBondContact CB-O 3.46Å; L585-A589 WeakPolarHBondContact O-CB 3.16Å; L585-A589 PolarHBondContact O-N 3.29Å; A589-E593 HydrophobicContact CB-CB 3.88Å; A589-A594 HydrophobicContact CB-CB 4.4Å; A589-L597 HydrophobicContact CB-CD1 3.83Å
590K94.6Very high95.8Very high89 Ų8911.4 Ų11.439%0.3875%0.053SC..  trans-64.2164.5171.2-58.5177.9-163.684.90110.5T435 E592 E593 A594T435-K590 VanDerWaalsContact O-CD 3.27Å; T435-K590 WeakPolarHBondContact O-CD 3.37Å; K590-E592 PolarHBondContact O-N 2.78Å; K590-E593 HydrophobicContact CB-CB 4.3Å; K590-E593 HydrophobicContact CB-CG 4.04Å; K590-E593 WeakPolarHBondContact CB-OE2 3.48Å; K590-E593 VanDerWaalsContact CG-OE2 3.28Å; K590-E593 WeakPolarHBondContact CG-OE2 3.48Å; K590-E593 PolarHBondContact N-OE2 3.36Å; K590-E593 IonicContact NZ-OE1 2.64Å; K590-E593 PolarHBondContact NZ-OE1 2.71Å; K590-E593 IonicContact NZ-OE2 3.91Å; K590-E593 PolarHBondContact NZ-OE2 2.74Å; K590-E593 WeakPolarHBondContact O-CB 3.44Å; K590-E593 PolarHBondContact O-N 2.75Å; K590-E593 VanDerWaalsContact O-N 3.09Å; K590-A594 WeakPolarHBondContact O-CB 3.41Å; K590-A594 PolarHBondContact O-N 2.82Å
591E95.6Very high95.9Very high1 Ų110.2 Ų10.21%0.0055%0.046CC..Hα-helixtrans-58-46.1-174.6-166.1-177.9135.900113.9V433 S434 Y517 A557 R560 V561 L586 A594 F595V433-E591 HydrophobicContact CG1-CB 3.96Å; V433-E591 HydrophobicContact CG1-CG 4.33Å; S434-E591 PolarHBondContact N-OE2 3.16Å; Y517-E591 HydrophobicContact CE1-CG 4.07Å; Y517-E591 WeakPolarHBondContact OH-CG 3.42Å; Y517-E591 PolarHBondContact OH-OE1 2.75Å; A557-E591 HydrophobicContact CB-CG 4.33Å; R560-E591 IonicContact CZ-OE1 3.33Å; R560-E591 IonicContact CZ-OE2 3.66Å; R560-E591 IonicContact NE-OE1 3.13Å; R560-E591 PolarHBondContact NE-OE1 2.9Å; R560-E591 IonicContact NE-OE2 3.64Å; R560-E591 IonicContact NH2-OE1 3.78Å; R560-E591 PolarHBondContact NH2-OE1 2.74Å; R560-E591 IonicContact NH2-OE2 2.67Å; R560-E591 PolarHBondContact NH2-OE2 3.15Å; V561-E591 HydrophobicContact CG2-CG 3.77Å; L586-E591 HydrophobicContact CD2-CB 4.34Å; L586-E591 HydrophobicContact CD2-CG 4.15Å; E591-A594 PolarHBondContact O-N 3.32Å; E591-F595 PolarHBondContact O-N 2.85Å; E591-F595 VanDerWaalsContact O-N 3.11Å
592E96.6Very high95.8Very high55 Ų5510.1 Ų10.126%0.2575%0.046SC..Hα-helixtrans-68.3-38175.1176.8167.8-15700112.3M510 Y517 K590 A594 F595 W596M510-E592 HydrophobicContact CG-CG 4.48Å; M510-E592 HydrophobicContact SD-CG 4.09Å; Y517-E592 HydrophobicContact CD1-CB 3.75Å; Y517-E592 HydrophobicContact CD1-CG 4.15Å; Y517-E592 HydrophobicContact CE1-CB 4.44Å; Y517-E592 HydrophobicContact CG-CB 4.21Å; Y517-E592 HydrophobicContact CG-CG 4.16Å; K590-E592 PolarHBondContact O-N 2.78Å; E592-A594 PolarHBondContact O-N 2.74Å; E592-F595 WeakPolarHBondContact O-CB 3.44Å; E592-F595 PolarHBondContact O-N 3.12Å; E592-W596 PolarHBondContact O-N 3.2Å
593E97.3Very high95.5Very high36 Ų3611.5 Ų11.517%0.1685%0.053CC..Hα-helixtrans-63.7-42.6177-63.6170.816900110.4M501 M510 A589 K590 F595 W596 L597M501-E593 HydrophobicContact CE-CB 4.14Å; M501-E593 HydrophobicContact CE-CG 4.14Å; M501-E593 HydrophobicContact CG-CB 4.23Å; M501-E593 HydrophobicContact SD-CB 4.02Å; M510-E593 HydrophobicContact CE-CG 4.33Å; M510-E593 HydrophobicContact SD-CG 4.09Å; A589-E593 HydrophobicContact CB-CB 3.88Å; K590-E593 HydrophobicContact CB-CB 4.3Å; K590-E593 HydrophobicContact CB-CG 4.04Å; K590-E593 WeakPolarHBondContact CB-OE2 3.48Å; K590-E593 VanDerWaalsContact CG-OE2 3.28Å; K590-E593 WeakPolarHBondContact CG-OE2 3.48Å; K590-E593 PolarHBondContact N-OE2 3.36Å; K590-E593 IonicContact NZ-OE1 2.64Å; K590-E593 PolarHBondContact NZ-OE1 2.71Å; K590-E593 IonicContact NZ-OE2 3.91Å; K590-E593 PolarHBondContact NZ-OE2 2.74Å; K590-E593 WeakPolarHBondContact O-CB 3.44Å; K590-E593 PolarHBondContact O-N 2.75Å; K590-E593 VanDerWaalsContact O-N 3.09Å; E593-F595 VanDerWaalsContact C-N 3.33Å; E593-F595 PolarHBondContact O-N 3.16Å; E593-W596 PolarHBondContact O-N 2.91Å; E593-L597 VanDerWaalsContact O-CG 3.32Å; E593-L597 WeakPolarHBondContact O-CG 3.28Å; E593-L597 PolarHBondContact O-N 2.95Å
594A98.1Very high95.3Very high0 Ų013.2 Ų13.20%06%0.059CC..Hα-helixtrans-62.9-36.6174.900000112.5L585 L586 A589 K590 E591 E592 L597 L598L585-A594 HydrophobicContact CB-CB 3.91Å; L586-A594 HydrophobicContact CD2-CB 3.78Å; L586-A594 HydrophobicContact CG-CB 3.99Å; A589-A594 HydrophobicContact CB-CB 4.4Å; K590-A594 WeakPolarHBondContact O-CB 3.41Å; K590-A594 PolarHBondContact O-N 2.82Å; E591-A594 PolarHBondContact O-N 3.32Å; E592-A594 PolarHBondContact O-N 2.74Å; A594-L597 PolarHBondContact O-N 3.26Å; A594-L598 WeakPolarHBondContact O-CB 3.21Å; A594-L598 PolarHBondContact O-N 3.34Å
595F98Very high95.1Very high0 Ų014 Ų140%06%0.063CC..Hα-helixtrans-62-47.5170.7166.5-94.6000112.1Y517 L520 V561 A564 E591 E592 E593 L597 L598 V599Y517-F595 HydrophobicContact CD2-CB 3.63Å; Y517-F595 AromaticContact CD2-CD1 3.63Å; Y517-F595 HydrophobicContact CD2-CD1 3.63Å; Y517-F595 AromaticContact CD2-CD2 3.61Å; Y517-F595 HydrophobicContact CD2-CD2 3.61Å; Y517-F595 HydrophobicContact CD2-CE1 4.16Å; Y517-F595 HydrophobicContact CD2-CE2 4.13Å; Y517-F595 AromaticContact CD2-CG 3.32Å; Y517-F595 HydrophobicContact CD2-CG 3.32Å; Y517-F595 HydrophobicContact CD2-CZ 4.38Å; Y517-F595 HydrophobicContact CE2-CB 3.72Å; Y517-F595 HydrophobicContact CE2-CD1 4.49Å; Y517-F595 AromaticContact CE2-CD2 3.81Å; Y517-F595 HydrophobicContact CE2-CD2 3.81Å; Y517-F595 AromaticContact CE2-CG 3.76Å; Y517-F595 HydrophobicContact CE2-CG 3.76Å; Y517-F595 HydrophobicContact CG-CB 4.36Å; Y517-F595 HydrophobicContact CG-CD1 4.17Å; Y517-F595 HydrophobicContact CG-CG 4.21Å; L520-F595 HydrophobicContact CD1-CE1 4.28Å; L520-F595 HydrophobicContact CD1-CE2 4.23Å; L520-F595 HydrophobicContact CD1-CZ 3.53Å; V561-F595 HydrophobicContact CG1-CB 3.97Å; V561-F595 HydrophobicContact CG1-CD2 4.49Å; V561-F595 HydrophobicContact CG2-CB 4.4Å; A564-F595 HydrophobicContact CB-CD2 4.32Å; A564-F595 HydrophobicContact CB-CE2 4.13Å; E591-F595 PolarHBondContact O-N 2.85Å; E591-F595 VanDerWaalsContact O-N 3.11Å; E592-F595 WeakPolarHBondContact O-CB 3.44Å; E592-F595 PolarHBondContact O-N 3.12Å; E593-F595 VanDerWaalsContact C-N 3.33Å; E593-F595 PolarHBondContact O-N 3.16Å; F595-L597 VanDerWaalsContact C-N 3.34Å; F595-L597 PolarHBondContact O-N 3.49Å; F595-L598 WeakPolarHBondContact O-CB 3.41Å; F595-L598 PolarHBondContact O-N 2.87Å; F595-V599 HydrophobicContact CD1-CG2 4.48Å; F595-V599 HydrophobicContact CE1-CG2 4.06Å; F595-V599 HydrophobicContact CE2-CG2 4.26Å; F595-V599 HydrophobicContact CZ-CG2 3.94Å; F595-V599 WeakPolarHBondContact O-CG2 3.2Å; F595-V599 PolarHBondContact O-N 2.96Å
596W97.3Very high95Very high4 Ų414 Ų142%0.0156%0.063CC..Hα-helixtrans-69.2-31.2178.4-72.4109.6000113M501 A506 D509 M510 H513 C516 E592 E593 V599 A600M501-W596 HydrophobicContact CE-CB 4.32Å; A506-W596 HydrophobicContact CB-CB 4.09Å; A506-W596 WeakPolarHBondContact CB-O 3.46Å; D509-W596 HydrophobicContact CB-CE3 3.66Å; D509-W596 HydrophobicContact CB-CZ3 3.84Å; M510-W596 HydrophobicContact CB-CB 4.35Å; M510-W596 VanDerWaalsContact CB-CD1 3.47Å; M510-W596 HydrophobicContact CB-CD2 4.12Å; M510-W596 HydrophobicContact CB-CG 3.73Å; M510-W596 VanDerWaalsContact CG-CD1 3.44Å; M510-W596 HydrophobicContact CG-CG 4.21Å; H513-W596 HydrophobicContact CB-CH2 3.59Å; H513-W596 HydrophobicContact CB-CZ2 3.65Å; H513-W596 AromaticContact CG-CH2 3.79Å; H513-W596 AromaticContact ND1-CH2 3.69Å; C516-W596 HydrophobicContact CB-CZ2 4.16Å; E592-W596 PolarHBondContact O-N 3.2Å; E593-W596 PolarHBondContact O-N 2.91Å; W596-V599 HydrophobicContact CE3-CB 4.29Å; W596-V599 HydrophobicContact CE3-CG1 4.27Å; W596-V599 HydrophobicContact CE3-CG2 4.4Å; W596-V599 HydrophobicContact CZ3-CG1 4.38Å; W596-V599 PolarHBondContact O-N 3.38Å; W596-A600 WeakPolarHBondContact O-CB 3.43Å; W596-A600 PolarHBondContact O-N 3.21Å
597L98.1Very high94.5Very high0 Ų015.5 Ų15.50%07%0.073CC..Hα-helixtrans-62.4-45.4168-71.2173.5000111.3W500 M501 S504 A506 L585 A589 E593 A594 F595 V599 A600 V601 F674W500-L597 HydrophobicContact CB-CD1 4.17Å; W500-L597 HydrophobicContact CB-CD2 3.95Å; W500-L597 HydrophobicContact CE3-CD1 4.29Å; M501-L597 HydrophobicContact CG-CD1 4.41Å; M501-L597 HydrophobicContact CG-CD2 4.16Å; M501-L597 HydrophobicContact CG-CG 4.25Å; M501-L597 HydrophobicContact SD-CD1 4.35Å; M501-L597 HydrophobicContact SD-CD2 3.8Å; M501-L597 HydrophobicContact SD-CG 3.65Å; S504-L597 WeakPolarHBondContact OG-CD2 3.18Å; A506-L597 HydrophobicContact CB-CD2 4.14Å; L585-L597 HydrophobicContact CD1-CB 3.84Å; L585-L597 HydrophobicContact CD2-CB 4.08Å; L585-L597 HydrophobicContact CD2-CD1 4.04Å; L585-L597 HydrophobicContact CG-CB 4.43Å; A589-L597 HydrophobicContact CB-CD1 3.83Å; E593-L597 VanDerWaalsContact O-CG 3.32Å; E593-L597 WeakPolarHBondContact O-CG 3.28Å; E593-L597 PolarHBondContact O-N 2.95Å; A594-L597 PolarHBondContact O-N 3.26Å; F595-L597 VanDerWaalsContact C-N 3.34Å; F595-L597 PolarHBondContact O-N 3.49Å; L597-V599 VanDerWaalsContact C-N 3.34Å; L597-V599 PolarHBondContact O-N 2.84Å; L597-A600 PolarHBondContact O-N 3.12Å; L597-V601 WeakPolarHBondContact O-CG2 3.38Å; L597-V601 PolarHBondContact O-N 2.83Å; L597-F674 HydrophobicContact CD2-CE1 3.99Å; L597-F674 HydrophobicContact CD2-CZ 4.05Å
598L97.6Very high94.2Very high0 Ų017.3 Ų17.30%08%0.082CC..Hα-helixtrans-61-42.6176-177.165.1000111.6V561 L562 Y565 M578 L581 L585 A594 F595 V601 C602V561-L598 HydrophobicContact CG1-CD2 4.07Å; L562-L598 HydrophobicContact CD2-CD2 4.29Å; Y565-L598 HydrophobicContact CD1-CD2 4.35Å; Y565-L598 HydrophobicContact CD2-CD2 4.24Å; Y565-L598 HydrophobicContact CD2-CG 4.23Å; Y565-L598 HydrophobicContact CG-CD2 3.83Å; Y565-L598 HydrophobicContact CG-CG 4.25Å; M578-L598 HydrophobicContact CE-CD1 4.28Å; M578-L598 HydrophobicContact CE-CD2 4.24Å; L581-L598 HydrophobicContact CD2-CD1 4.2Å; L585-L598 HydrophobicContact CD1-CB 4.21Å; A594-L598 WeakPolarHBondContact O-CB 3.21Å; A594-L598 PolarHBondContact O-N 3.34Å; F595-L598 WeakPolarHBondContact O-CB 3.41Å; F595-L598 PolarHBondContact O-N 2.87Å; L598-V601 PolarHBondContact O-N 2.96Å; L598-C602 WeakPolarHBondContact O-CB 3.37Å; L598-C602 PolarHBondContact O-N 2.68Å; L598-C602 PolarHBondContact O-SG 2.78Å; L598-C602 VanDerWaalsContact O-SG 3.42Å
599V95.5Very high94.1Very high4 Ų416.6 Ų16.62%0.0248%0.08CC..Hα-helixtrans-57.8-49.9172.8172.10000111Y565 F595 W596 L597 V601 E603Y565-V599 HydrophobicContact CD2-CG2 3.74Å; Y565-V599 HydrophobicContact CE2-CB 4.44Å; Y565-V599 HydrophobicContact CE2-CG2 3.9Å; F595-V599 HydrophobicContact CD1-CG2 4.48Å; F595-V599 HydrophobicContact CE1-CG2 4.06Å; F595-V599 HydrophobicContact CE2-CG2 4.26Å; F595-V599 HydrophobicContact CZ-CG2 3.94Å; F595-V599 WeakPolarHBondContact O-CG2 3.2Å; F595-V599 PolarHBondContact O-N 2.96Å; W596-V599 HydrophobicContact CE3-CB 4.29Å; W596-V599 HydrophobicContact CE3-CG1 4.27Å; W596-V599 HydrophobicContact CE3-CG2 4.4Å; W596-V599 HydrophobicContact CZ3-CG1 4.38Å; W596-V599 PolarHBondContact O-N 3.38Å; L597-V599 VanDerWaalsContact C-N 3.34Å; L597-V599 PolarHBondContact O-N 2.84Å; V599-V601 PolarHBondContact O-N 2.74Å; V599-E603 HydrophobicContact CG1-CG 4.47Å; V599-E603 VanDerWaalsContact O-CB 3.3Å; V599-E603 WeakPolarHBondContact O-CB 3.18Å; V599-E603 WeakPolarHBondContact O-CG 3.47Å; V599-E603 PolarHBondContact O-N 3.02Å
600A95.3Very high93.7Very high1 Ų116.7 Ų16.71%0.0088%0.08CC..Hα-helixtrans-62.3-40.7179.200000112.5A506 W596 L597 R604 M605A506-A600 HydrophobicContact CB-CB 4.02Å; W596-A600 WeakPolarHBondContact O-CB 3.43Å; W596-A600 PolarHBondContact O-N 3.21Å; L597-A600 PolarHBondContact O-N 3.12Å; A600-R604 CarbonylContact O-C 3.43Å; A600-R604 WeakPolarHBondContact O-CA 3.48Å; A600-R604 WeakPolarHBondContact O-CB 3.46Å; A600-R604 PolarHBondContact O-N 3.06Å; A600-M605 PolarHBondContact O-N 2.94Å
601V95.8Very high92.9Very high0 Ų013.8 Ų13.80%07%0.069CC..Iπ-helixtrans-65.9-55.8177.51770000110.9L581 L597 L598 V599 M605 L606 F610 F673 F674L581-V601 HydrophobicContact CD2-CB 4.19Å; L581-V601 HydrophobicContact CD2-CG1 3.7Å; L597-V601 WeakPolarHBondContact O-CG2 3.38Å; L597-V601 PolarHBondContact O-N 2.83Å; L598-V601 PolarHBondContact O-N 2.96Å; V599-V601 PolarHBondContact O-N 2.74Å; V601-M605 PolarHBondContact O-N 2.84Å; V601-L606 HydrophobicContact CG1-CB 4.46Å; V601-L606 HydrophobicContact CG1-CD1 3.72Å; V601-L606 HydrophobicContact CG1-CG 4.13Å; V601-L606 WeakPolarHBondContact O-CB 3.48Å; V601-L606 PolarHBondContact O-N 3.38Å; V601-F610 HydrophobicContact CG1-CE2 4.25Å; V601-F673 HydrophobicContact CG1-CE1 4.36Å; V601-F673 HydrophobicContact CG1-CZ 4.26Å; V601-F673 HydrophobicContact CG2-CE1 3.99Å; V601-F674 HydrophobicContact CG2-CE1 3.75Å; V601-F674 HydrophobicContact CG2-CZ 3.99Å
602C93.5Very high92Very high1 Ų121.3 Ų21.31%0.00710%0.097CC..Iπ-helixtrans-71.2-33.3-173-650000114.1Y565 L598 F610Y565-C602 HydrophobicContact CE1-CB 4.41Å; Y565-C602 HydrophobicContact CE2-CB 4.29Å; Y565-C602 WeakPolarHBondContact OH-CB 3.39Å; L598-C602 WeakPolarHBondContact O-CB 3.37Å; L598-C602 PolarHBondContact O-N 2.68Å; L598-C602 PolarHBondContact O-SG 2.78Å; L598-C602 VanDerWaalsContact O-SG 3.42Å; C602-F610 HydrophobicContact CB-CD2 4Å; C602-F610 WeakPolarHBondContact SG-CD2 3.48Å
603E89.9Confident91.2Very high30 Ų3021 Ų2114%0.149%0.093CC..Iπ-helixtrans-98.1-22.8-173.4-56.5-165.5161.600114K294 Y565 R568 N569 I572 V599K294-E603 WeakPolarHBondContact CE-O 3.35Å; K294-E603 PolarHBondContact NZ-O 2.76Å; Y565-E603 HydrophobicContact CE2-CG 4.43Å; R568-E603 IonicContact CZ-OE1 2.64Å; R568-E603 IonicContact CZ-OE2 3.28Å; R568-E603 VanDerWaalsContact CZ-OE2 3.32Å; R568-E603 IonicContact NH1-OE1 2.81Å; R568-E603 PolarHBondContact NH1-OE1 3.14Å; R568-E603 IonicContact NH1-OE2 2.74Å; R568-E603 PolarHBondContact NH1-OE2 3.25Å; R568-E603 IonicContact NH2-OE1 3.52Å; R568-E603 IonicContact NH2-OE2 2.91Å; R568-E603 PolarHBondContact NH2-OE2 3.45Å; N569-E603 WeakPolarHBondContact CB-OE1 3.4Å; N569-E603 PolarHBondContact ND2-OE1 3.36Å; I572-E603 HydrophobicContact CD1-CG 4.4Å; V599-E603 HydrophobicContact CG1-CG 4.47Å; V599-E603 VanDerWaalsContact O-CB 3.3Å; V599-E603 WeakPolarHBondContact O-CB 3.18Å; V599-E603 WeakPolarHBondContact O-CG 3.47Å; V599-E603 PolarHBondContact O-N 3.02Å
604R89.6Confident90.7Very high36 Ų3621.1 Ų21.114%0.13610%0.095CC..Iπ-helixtrans-132.6-41.4-166.5-179.2154.45471.28.5115.2R291 L292 S504 D509 A600R291-R604 WeakPolarHBondContact O-CD 3.16Å; R291-R604 PolarHBondContact O-NH1 2.94Å; L292-R604 WeakPolarHBondContact O-CD 3.27Å; S504-R604 PolarHBondContact O-NH1 2.76Å; S504-R604 PolarHBondContact O-NH2 3.16Å; D509-R604 IonicContact OD2-CZ 3.24Å; D509-R604 IonicContact OD2-NE 3.6Å; D509-R604 IonicContact OD2-NH2 3.31Å; D509-R604 PolarHBondContact OD2-NH2 3.12Å; A600-R604 CarbonylContact O-C 3.43Å; A600-R604 WeakPolarHBondContact O-CA 3.48Å; A600-R604 WeakPolarHBondContact O-CB 3.46Å; A600-R604 PolarHBondContact O-N 3.06Å
605M92.4Very high90.3Very high16 Ų1622.2 Ų22.28%0.07910%0.101CC..Iπ-helixtrans-87.4-33.6179.8-57.8-171.663.700113.5A600 V601 P607 F673 F674A600-M605 PolarHBondContact O-N 2.94Å; V601-M605 PolarHBondContact O-N 2.84Å; M605-P607 VanDerWaalsContact C-CD 3.42Å; M605-F673 HydrophobicContact CB-CZ 3.85Å; M605-F673 HydrophobicContact CE-CD1 4.41Å; M605-F673 HydrophobicContact CE-CE1 3.89Å; M605-F673 HydrophobicContact CE-CE2 4.36Å; M605-F673 HydrophobicContact CE-CZ 3.87Å; M605-F673 WeakPolarHBondContact CE-O 2.96Å; M605-F673 HydrophobicContact SD-CE1 4.23Å; M605-F673 HydrophobicContact SD-CZ 4.34Å; M605-F674 HydrophobicContact CE-CD1 4.24Å; M605-F674 HydrophobicContact SD-CD1 3.84Å; M605-F674 HydrophobicContact SD-CE1 4.14Å
606L92.8Very high89.9Confident0 Ų022.4 Ų22.40%010%0.102CC..SBendtrans-125.861.4177.8-63.5-179.6000110.4V601 D608 Y609 F610 L656 F673 I678V601-L606 HydrophobicContact CG1-CB 4.46Å; V601-L606 HydrophobicContact CG1-CD1 3.72Å; V601-L606 HydrophobicContact CG1-CG 4.13Å; V601-L606 WeakPolarHBondContact O-CB 3.48Å; V601-L606 PolarHBondContact O-N 3.38Å; L606-D608 PolarHBondContact O-N 3.17Å; L606-Y609 HydrophobicContact CB-CD1 4.08Å; L606-Y609 HydrophobicContact CB-CD2 3.75Å; L606-Y609 HydrophobicContact CB-CE2 4.26Å; L606-Y609 HydrophobicContact CB-CG 3.66Å; L606-Y609 HydrophobicContact CD1-CD1 3.96Å; L606-Y609 HydrophobicContact CD1-CE1 4.22Å; L606-Y609 HydrophobicContact CD1-CG 4.38Å; L606-Y609 HydrophobicContact CD2-CD1 4.21Å; L606-Y609 HydrophobicContact CD2-CD2 4.28Å; L606-Y609 HydrophobicContact CD2-CE1 3.86Å; L606-Y609 HydrophobicContact CD2-CE2 3.94Å; L606-Y609 HydrophobicContact CD2-CG 4.42Å; L606-Y609 HydrophobicContact CG-CD1 4.32Å; L606-Y609 HydrophobicContact CG-CE1 4.44Å; L606-Y609 HydrophobicContact CG-CG 4.37Å; L606-Y609 WeakPolarHBondContact O-CB 3.43Å; L606-Y609 PolarHBondContact O-N 3.36Å; L606-F610 HydrophobicContact CB-CE2 4.2Å; L606-F610 HydrophobicContact CD1-CE2 3.99Å; L606-F610 HydrophobicContact CD1-CZ 4.15Å; L606-L656 HydrophobicContact CD1-CD2 4.17Å; L606-F673 HydrophobicContact CD1-CE2 4.25Å; L606-F673 HydrophobicContact CD1-CZ 4.03Å; L606-F673 HydrophobicContact CD2-CE2 3.75Å; L606-F673 HydrophobicContact CD2-CZ 4.15Å; L606-F673 HydrophobicContact CG-CE2 3.96Å; L606-F673 HydrophobicContact CG-CZ 3.82Å; L606-I678 HydrophobicContact CD2-CB 4.34Å; L606-I678 HydrophobicContact CD2-CD1 4.11Å
607P85.5Confident89.7Confident36 Ų3622.2 Ų22.223%0.23410%0.101CC..THydrogen-bonded Turntrans-59.3139.6179.527.6-35000110.6M605 Y609M605-P607 VanDerWaalsContact C-CD 3.42Å; P607-Y609 PolarHBondContact O-N 3.2Å
608D86.1Confident89.5Confident38 Ų3823.9 Ų23.920%0.20311%0.11CC..THydrogen-bonded Turntrans665.6179.5-48.1-22.5000115.8L606 N611 I614 I615 G616 K772L606-D608 PolarHBondContact O-N 3.17Å; D608-N611 PolarHBondContact O-ND2 3.38Å; D608-I614 CarbonylContact O-C 3.5Å; D608-I615 HydrophobicContact CB-CB 4.34Å; D608-I615 PolarHBondContact O-N 3.47Å; D608-G616 PolarHBondContact O-N 3.11Å; D608-K772 IonicContact OD2-NZ 3.9Å; D608-K772 PolarHBondContact OD2-NZ 2.75Å
609Y90.9Very high89.3Confident0 Ų024.1 Ų24.10%011%0.112CC..SBendtrans-69.5-46.8178.5-92.2-124.1000113.5L606 P607 I614 A617 D620 F653 L654 I678L606-Y609 HydrophobicContact CB-CD1 4.08Å; L606-Y609 HydrophobicContact CB-CD2 3.75Å; L606-Y609 HydrophobicContact CB-CE2 4.26Å; L606-Y609 HydrophobicContact CB-CG 3.66Å; L606-Y609 HydrophobicContact CD1-CD1 3.96Å; L606-Y609 HydrophobicContact CD1-CE1 4.22Å; L606-Y609 HydrophobicContact CD1-CG 4.38Å; L606-Y609 HydrophobicContact CD2-CD1 4.21Å; L606-Y609 HydrophobicContact CD2-CD2 4.28Å; L606-Y609 HydrophobicContact CD2-CE1 3.86Å; L606-Y609 HydrophobicContact CD2-CE2 3.94Å; L606-Y609 HydrophobicContact CD2-CG 4.42Å; L606-Y609 HydrophobicContact CG-CD1 4.32Å; L606-Y609 HydrophobicContact CG-CE1 4.44Å; L606-Y609 HydrophobicContact CG-CG 4.37Å; L606-Y609 WeakPolarHBondContact O-CB 3.43Å; L606-Y609 PolarHBondContact O-N 3.36Å; P607-Y609 PolarHBondContact O-N 3.2Å; Y609-I614 WeakPolarHBondContact O-CA 3.43Å; Y609-I614 WeakPolarHBondContact O-CG2 3.41Å; Y609-A617 HydrophobicContact CD1-CB 3.84Å; Y609-A617 HydrophobicContact CE1-CB 4Å; Y609-A617 HydrophobicContact CG-CB 4.16Å; Y609-D620 VanDerWaalsContact CE2-OD2 3.26Å; Y609-D620 WeakPolarHBondContact CE2-OD2 3.46Å; Y609-D620 WeakPolarHBondContact OH-CB 3.38Å; Y609-D620 PolarHBondContact OH-OD2 2.9Å; Y609-F653 HydrophobicContact CE1-CB 4.26Å; Y609-L654 HydrophobicContact CD1-CD2 4.46Å; Y609-I678 HydrophobicContact CE1-CD1 4.46Å; Y609-I678 WeakPolarHBondContact OH-CD1 3.44Å; Y609-I678 WeakPolarHBondContact OH-CG1 3.46Å
610F87.6Confident89.2Confident4 Ų424 Ų242%0.01811%0.111CC..SBendtrans-100.612.5-169.7-56.5-74.8000112.8I572 C575 M578 V601 C602 L606 L654I572-F610 HydrophobicContact CG2-CB 3.88Å; I572-F610 WeakPolarHBondContact CG2-O 3.4Å; C575-F610 HydrophobicContact CB-CB 3.8Å; C575-F610 HydrophobicContact CB-CD1 4.07Å; C575-F610 HydrophobicContact CB-CG 4.43Å; C575-F610 WeakPolarHBondContact CB-O 3.49Å; M578-F610 HydrophobicContact CG-CB 4.4Å; M578-F610 HydrophobicContact CG-CD1 3.65Å; M578-F610 HydrophobicContact CG-CE1 4.11Å; M578-F610 HydrophobicContact CG-CG 4.04Å; M578-F610 HydrophobicContact SD-CB 4.03Å; M578-F610 HydrophobicContact SD-CD1 4.38Å; M578-F610 HydrophobicContact SD-CG 4.29Å; V601-F610 HydrophobicContact CG1-CE2 4.25Å; C602-F610 HydrophobicContact CB-CD2 4Å; C602-F610 WeakPolarHBondContact SG-CD2 3.48Å; L606-F610 HydrophobicContact CB-CE2 4.2Å; L606-F610 HydrophobicContact CD1-CE2 3.99Å; L606-F610 HydrophobicContact CD1-CZ 4.15Å; F610-L654 HydrophobicContact CE1-CD2 4.45Å
611N77.8Confident89.2Confident28 Ų2824.6 Ų24.615%0.1511%0.114CC..SBendtrans-76.2163169.875.134000110.3D608 R613 I614D608-N611 PolarHBondContact O-ND2 3.38Å; N611-R613 PolarHBondContact O-N 3.24Å; N611-R613 PolarHBondContact OD1-N 2.8Å; N611-I614 WeakPolarHBondContact O-CG2 3.19Å; N611-I614 PolarHBondContact O-N 3.04Å; N611-I614 PolarHBondContact OD1-N 2.91Å
612R76.1Confident89.1Confident159 Ų15925.2 Ų25.260%0.612%0.119SC*.THydrogen-bonded Turntrans-58-21.5-176.4-80.1178.9157.4178.9-17.5115.6L530 S832L530-R612 VanDerWaalsContact CD2-NH2 3.25Å; R612-S832 VanDerWaalsContact CD-CB 3.41Å; R612-S832 VanDerWaalsContact NH1-CB 3.29Å; R612-S832 PolarHBondContact NH1-OG 2.72Å
613R79.7Confident89.1Confident48 Ų4825.2 Ų25.218%0.18112%0.119CC..THydrogen-bonded Turntrans-99.2-0.8177.9-70.6-175.1179.3-138.8-5.4112.9N611 I615 L779 E780 P831N611-R613 PolarHBondContact O-N 3.24Å; N611-R613 PolarHBondContact OD1-N 2.8Å; R613-I615 HydrophobicContact CB-CD1 4.01Å; R613-I615 HydrophobicContact CB-CG1 3.62Å; R613-I615 PolarHBondContact O-N 3.38Å; R613-L779 HydrophobicContact CB-CD1 4.42Å; R613-E780 IonicContact CZ-OE1 2.66Å; R613-E780 IonicContact NH1-OE1 3.97Å; R613-E780 PolarHBondContact NH1-OE1 2.96Å; R613-P831 PolarHBondContact NE-O 3.32Å; R613-P831 PolarHBondContact NH2-O 3.15Å
614I87.8Confident89.3Confident39 Ų3923.9 Ų23.920%0.211%0.112CC..  trans45.131.3-179.359.1167.5000114.4D608 Y609 N611 G616 A617 L618 L650D608-I614 CarbonylContact O-C 3.5Å; Y609-I614 WeakPolarHBondContact O-CA 3.43Å; Y609-I614 WeakPolarHBondContact O-CG2 3.41Å; N611-I614 WeakPolarHBondContact O-CG2 3.19Å; N611-I614 PolarHBondContact O-N 3.04Å; N611-I614 PolarHBondContact OD1-N 2.91Å; I614-G616 VanDerWaalsContact C-N 3.26Å; I614-G616 PolarHBondContact O-N 3.3Å; I614-G616 VanDerWaalsContact O-N 3.14Å; I614-A617 PolarHBondContact O-N 3.35Å; I614-L618 HydrophobicContact CD1-CD2 3.91Å; I614-L618 HydrophobicContact CD1-CG 4.27Å; I614-L618 HydrophobicContact CG1-CD1 4.18Å; I614-L618 HydrophobicContact CG1-CD2 4.19Å; I614-L618 HydrophobicContact CG1-CG 3.99Å; I614-L618 PolarHBondContact O-N 3.49Å; I614-L618 VanDerWaalsContact O-N 3.09Å; I614-L650 HydrophobicContact CD1-CD1 4.17Å; I614-L650 HydrophobicContact CD1-CD2 4.02Å
615I88.4Confident89.5Confident23 Ų2324.3 Ų24.312%0.11812%0.116CC..Hα-helixtrans-56-40.9-166.3-60175.1000111.5D608 R613 L618 V619 V775 I776 L779D608-I615 HydrophobicContact CB-CB 4.34Å; D608-I615 PolarHBondContact O-N 3.47Å; R613-I615 HydrophobicContact CB-CD1 4.01Å; R613-I615 HydrophobicContact CB-CG1 3.62Å; R613-I615 PolarHBondContact O-N 3.38Å; I615-L618 PolarHBondContact O-N 3.24Å; I615-V619 HydrophobicContact CG2-CG2 4.38Å; I615-V619 WeakPolarHBondContact O-CB 3.5Å; I615-V619 VanDerWaalsContact O-CG2 3.29Å; I615-V619 WeakPolarHBondContact O-CG2 3.32Å; I615-V619 PolarHBondContact O-N 2.94Å; I615-V775 HydrophobicContact CG2-CG1 4.46Å; I615-I776 HydrophobicContact CD1-CG1 4.44Å; I615-I776 HydrophobicContact CG2-CD1 4.08Å; I615-I776 HydrophobicContact CG2-CG1 3.89Å; I615-L779 HydrophobicContact CG1-CD1 4.02Å
616G90.7Very high89.4Confident3 Ų324.7 Ų24.73%0.03112%0.118CC..Hα-helixtrans-60.6-48.3177.900000111.9D608 I614 L618 V619 D620D608-G616 PolarHBondContact O-N 3.11Å; I614-G616 VanDerWaalsContact C-N 3.26Å; I614-G616 PolarHBondContact O-N 3.3Å; I614-G616 VanDerWaalsContact O-N 3.14Å; G616-L618 VanDerWaalsContact C-N 3.34Å; G616-L618 PolarHBondContact O-N 3.19Å; G616-V619 WeakPolarHBondContact O-CB 3.48Å; G616-V619 PolarHBondContact O-N 3.4Å; G616-V619 VanDerWaalsContact O-N 3.15Å; G616-D620 PolarHBondContact O-N 3.48Å
617A93.1Very high89.5Confident0 Ų025.4 Ų25.40%012%0.122CC..Hα-helixtrans-63.3-40.4179.600000112Y609 I614 V619 D620 Q621 L650 L654Y609-A617 HydrophobicContact CD1-CB 3.84Å; Y609-A617 HydrophobicContact CE1-CB 4Å; Y609-A617 HydrophobicContact CG-CB 4.16Å; I614-A617 PolarHBondContact O-N 3.35Å; A617-V619 VanDerWaalsContact C-N 3.32Å; A617-V619 PolarHBondContact O-N 3.11Å; A617-D620 PolarHBondContact O-N 2.89Å; A617-Q621 WeakPolarHBondContact O-CG 3.39Å; A617-Q621 PolarHBondContact O-N 2.93Å; A617-L650 HydrophobicContact CB-CD1 3.9Å; A617-L654 HydrophobicContact CB-CD2 3.86Å; A617-L654 HydrophobicContact CB-CG 4.35Å
618L92.8Very high89.9Confident36 Ų3623.7 Ų23.719%0.18811%0.111CC..Hα-helixtrans-65.9-33.6175.5-57.5179.8000112.7I614 I615 G616 Q621 A622 L650 V775 L779I614-L618 HydrophobicContact CD1-CD2 3.91Å; I614-L618 HydrophobicContact CD1-CG 4.27Å; I614-L618 HydrophobicContact CG1-CD1 4.18Å; I614-L618 HydrophobicContact CG1-CD2 4.19Å; I614-L618 HydrophobicContact CG1-CG 3.99Å; I614-L618 PolarHBondContact O-N 3.49Å; I614-L618 VanDerWaalsContact O-N 3.09Å; I615-L618 PolarHBondContact O-N 3.24Å; G616-L618 VanDerWaalsContact C-N 3.34Å; G616-L618 PolarHBondContact O-N 3.19Å; L618-Q621 PolarHBondContact O-N 3.29Å; L618-A622 PolarHBondContact O-N 3.47Å; L618-A622 VanDerWaalsContact O-N 3.15Å; L618-L650 HydrophobicContact CD2-CD1 4.46Å; L618-V775 HydrophobicContact CB-CG1 3.57Å; L618-V775 HydrophobicContact CD1-CG1 4.21Å; L618-L779 HydrophobicContact CD1-CD1 4Å; L618-L779 HydrophobicContact CD1-CD2 3.82Å; L618-L779 HydrophobicContact CD1-CG 4.15Å
619V93.3Very high90.1Very high5 Ų527.1 Ų27.13%0.0312%0.121CC..Hα-helixtrans-65.4-44.9173.3166.40000111.1I615 G616 A617 Q621 A622 V623 R768 K772 V775I615-V619 HydrophobicContact CG2-CG2 4.38Å; I615-V619 WeakPolarHBondContact O-CB 3.5Å; I615-V619 VanDerWaalsContact O-CG2 3.29Å; I615-V619 WeakPolarHBondContact O-CG2 3.32Å; I615-V619 PolarHBondContact O-N 2.94Å; G616-V619 WeakPolarHBondContact O-CB 3.48Å; G616-V619 PolarHBondContact O-N 3.4Å; G616-V619 VanDerWaalsContact O-N 3.15Å; A617-V619 VanDerWaalsContact C-N 3.32Å; A617-V619 PolarHBondContact O-N 3.11Å; V619-Q621 VanDerWaalsContact C-N 3.32Å; V619-Q621 PolarHBondContact O-N 3.24Å; V619-A622 PolarHBondContact O-N 3.16Å; V619-V623 WeakPolarHBondContact O-CG2 3.35Å; V619-V623 PolarHBondContact O-N 3.27Å; V619-R768 HydrophobicContact CG1-CB 3.81Å; V619-R768 HydrophobicContact CG1-CG 4.06Å; V619-R768 VanDerWaalsContact CG1-O 3.29Å; V619-R768 WeakPolarHBondContact CG1-O 3.46Å; V619-K772 HydrophobicContact CG2-CB 3.98Å; V619-K772 HydrophobicContact CG2-CG 4.21Å; V619-V775 HydrophobicContact CG2-CB 3.96Å; V619-V775 HydrophobicContact CG2-CG1 4.12Å; V619-V775 HydrophobicContact CG2-CG2 4Å
620D95Very high90.1Very high0 Ų033.2 Ų33.20%015%0.15CC..Hα-helixtrans-73.3-22.2178.5-65.7-87000113.5Y609 G616 A617 F624 F653 I678 R768Y609-D620 VanDerWaalsContact CE2-OD2 3.26Å; Y609-D620 WeakPolarHBondContact CE2-OD2 3.46Å; Y609-D620 WeakPolarHBondContact OH-CB 3.38Å; Y609-D620 PolarHBondContact OH-OD2 2.9Å; G616-D620 PolarHBondContact O-N 3.48Å; A617-D620 PolarHBondContact O-N 2.89Å; D620-F624 VanDerWaalsContact O-CB 3.27Å; D620-F624 WeakPolarHBondContact O-CB 3.45Å; D620-F624 PolarHBondContact O-N 3.3Å; D620-F653 HydrophobicContact CB-CD2 4.4Å; D620-I678 HydrophobicContact CB-CG1 4.31Å; D620-R768 WeakPolarHBondContact OD1-CD 3.25Å; D620-R768 WeakPolarHBondContact OD1-CG 3.49Å; D620-R768 IonicContact OD1-CZ 2.66Å; D620-R768 IonicContact OD1-NE 2.7Å; D620-R768 IonicContact OD1-NH1 2.76Å; D620-R768 PolarHBondContact OD1-NH1 2.85Å; D620-R768 IonicContact OD2-CZ 3.66Å; D620-R768 VanDerWaalsContact OD2-CZ 3.24Å; D620-R768 IonicContact OD2-NH1 2.71Å; D620-R768 PolarHBondContact OD2-NH1 3.04Å; D620-R768 IonicContact OD2-NH2 3.62Å
621Q94.3Very high90.4Very high15 Ų1535.1 Ų35.17%0.0716%0.16CC..Hα-helixtrans-62.4-48.8163.6-73.6176-57.400111.9A617 L618 V619 V623 F624 E625 S646 F653A617-Q621 WeakPolarHBondContact O-CG 3.39Å; A617-Q621 PolarHBondContact O-N 2.93Å; L618-Q621 PolarHBondContact O-N 3.29Å; V619-Q621 VanDerWaalsContact C-N 3.32Å; V619-Q621 PolarHBondContact O-N 3.24Å; Q621-V623 VanDerWaalsContact C-N 3.3Å; Q621-V623 PolarHBondContact O-N 3.22Å; Q621-F624 CarbonylContact O-C 3.47Å; Q621-F624 WeakPolarHBondContact O-CA 3.5Å; Q621-F624 WeakPolarHBondContact O-CB 3.44Å; Q621-F624 PolarHBondContact O-N 3.45Å; Q621-E625 PolarHBondContact O-N 3.22Å; Q621-S646 VanDerWaalsContact NE2-C 3.27Å; Q621-S646 PolarHBondContact NE2-O 3.21Å; Q621-F653 HydrophobicContact CG-CD2 4.2Å; Q621-F653 HydrophobicContact CG-CE2 4.3Å
622A93.2Very high91.1Very high13 Ų1333.9 Ų33.911%0.10715%0.153CC..Hα-helixtrans-63-36.5176.600000112.2L618 V619 F624 E625 D626 N771 V775L618-A622 PolarHBondContact O-N 3.47Å; L618-A622 VanDerWaalsContact O-N 3.15Å; V619-A622 PolarHBondContact O-N 3.16Å; A622-F624 VanDerWaalsContact C-N 3.33Å; A622-E625 PolarHBondContact O-N 3.41Å; A622-D626 PolarHBondContact O-N 2.87Å; A622-D626 VanDerWaalsContact O-N 3.1Å; A622-N771 HydrophobicContact CB-CB 3.84Å; A622-V775 HydrophobicContact CB-CG2 4.13Å
623V94.1Very high91.9Very high1 Ų129.2 Ų29.21%0.00614%0.144CC..Hα-helixtrans-63.7-38.6169.9175.10000111.3V619 Q621 D626 L627 L682 R768V619-V623 WeakPolarHBondContact O-CG2 3.35Å; V619-V623 PolarHBondContact O-N 3.27Å; Q621-V623 VanDerWaalsContact C-N 3.3Å; Q621-V623 PolarHBondContact O-N 3.22Å; V623-D626 PolarHBondContact O-N 3.4Å; V623-L627 HydrophobicContact CG1-CD1 4.16Å; V623-L627 VanDerWaalsContact O-CG 3.31Å; V623-L627 WeakPolarHBondContact O-CG 3.12Å; V623-L627 PolarHBondContact O-N 2.91Å; V623-L682 HydrophobicContact CG1-CD1 4.03Å; V623-R768 HydrophobicContact CG2-CB 4.46Å; V623-R768 HydrophobicContact CG2-CG 3.96Å
624F94.8Very high92.4Very high1 Ų132.3 Ų32.30%0.00416%0.16CC..Hα-helixtrans-67.6-39.7177-170.8-124.7000112.4D620 Q621 A622 D626 L627 I628 W652 F653 L682 L686 L689D620-F624 VanDerWaalsContact O-CB 3.27Å; D620-F624 WeakPolarHBondContact O-CB 3.45Å; D620-F624 PolarHBondContact O-N 3.3Å; Q621-F624 CarbonylContact O-C 3.47Å; Q621-F624 WeakPolarHBondContact O-CA 3.5Å; Q621-F624 WeakPolarHBondContact O-CB 3.44Å; Q621-F624 PolarHBondContact O-N 3.45Å; A622-F624 VanDerWaalsContact C-N 3.33Å; F624-D626 PolarHBondContact O-N 3.26Å; F624-L627 PolarHBondContact O-N 3.01Å; F624-I628 HydrophobicContact CD1-CD1 3.72Å; F624-I628 HydrophobicContact CD1-CG1 4.49Å; F624-I628 HydrophobicContact CE1-CD1 3.66Å; F624-I628 HydrophobicContact CE1-CG1 4.38Å; F624-I628 HydrophobicContact CG-CD1 4.27Å; F624-I628 HydrophobicContact CZ-CD1 4.13Å; F624-I628 HydrophobicContact CZ-CG1 4.38Å; F624-I628 VanDerWaalsContact O-CG1 3.27Å; F624-I628 WeakPolarHBondContact O-CG1 3.37Å; F624-I628 PolarHBondContact O-N 2.91Å; F624-W652 HydrophobicContact CE1-CZ3 4.23Å; F624-W652 HydrophobicContact CZ-CZ3 4.28Å; F624-F653 HydrophobicContact CB-CE2 3.93Å; F624-F653 HydrophobicContact CB-CZ 3.82Å; F624-F653 HydrophobicContact CD1-CE2 4.42Å; F624-F653 AromaticContact CD1-CZ 3.85Å; F624-F653 HydrophobicContact CD1-CZ 3.85Å; F624-F653 HydrophobicContact CD2-CZ 4.01Å; F624-F653 HydrophobicContact CE1-CZ 4.38Å; F624-F653 HydrophobicContact CG-CE2 4.22Å; F624-F653 AromaticContact CG-CZ 3.65Å; F624-F653 HydrophobicContact CG-CZ 3.65Å; F624-L682 HydrophobicContact CB-CD2 3.81Å; F624-L682 HydrophobicContact CD2-CD2 3.91Å; F624-L682 HydrophobicContact CG-CD2 4.24Å; F624-L686 HydrophobicContact CD2-CD2 4.41Å; F624-L686 HydrophobicContact CE2-CD2 3.93Å; F624-L686 HydrophobicContact CE2-CG 3.96Å; F624-L689 HydrophobicContact CE1-CD1 3.86Å; F624-L689 HydrophobicContact CZ-CD1 3.64Å; F624-L689 HydrophobicContact CZ-CG 4.31Å
625E92.8Very high92.5Very high45 Ų4530.5 Ų30.521%0.2115%0.151CC..Hα-helixtrans-59.9-43.6171-72.8-173.9-168.700112.5Q621 A622 L627 I628 R629 L642 S646Q621-E625 PolarHBondContact O-N 3.22Å; A622-E625 PolarHBondContact O-N 3.41Å; E625-L627 VanDerWaalsContact C-N 3.33Å; E625-L627 PolarHBondContact O-N 2.83Å; E625-I628 PolarHBondContact O-N 2.93Å; E625-R629 WeakPolarHBondContact O-CB 3.29Å; E625-R629 PolarHBondContact O-N 2.85Å; E625-R629 IonicContact OE2-NH2 3.48Å; E625-L642 HydrophobicContact CG-CB 4.2Å; E625-S646 VanDerWaalsContact CD-OG 3.3Å; E625-S646 VanDerWaalsContact CG-OG 3.29Å; E625-S646 WeakPolarHBondContact CG-OG 3.46Å; E625-S646 WeakPolarHBondContact OE1-CB 3.42Å; E625-S646 PolarHBondContact OE1-OG 3.12Å
626D91.8Very high92.4Very high24 Ų2431 Ų3113%0.12816%0.155CC..Hα-helixtrans-59.2-45.4174.4-75.8-16000111A622 V623 F624 R629 E630 R770 N771A622-D626 PolarHBondContact O-N 2.87Å; A622-D626 VanDerWaalsContact O-N 3.1Å; V623-D626 PolarHBondContact O-N 3.4Å; F624-D626 PolarHBondContact O-N 3.26Å; D626-R629 WeakPolarHBondContact O-CB 3.36Å; D626-R629 PolarHBondContact O-N 3.13Å; D626-R629 IonicContact OD1-CZ 3.5Å; D626-R629 IonicContact OD1-NH1 2.91Å; D626-R629 PolarHBondContact OD1-NH1 3Å; D626-E630 WeakPolarHBondContact O-CG 3.41Å; D626-E630 PolarHBondContact O-N 2.92Å; D626-R770 IonicContact OD2-CZ 3.85Å; D626-R770 IonicContact OD2-NE 3.32Å; D626-R770 IonicContact OD2-NH2 2.74Å; D626-R770 PolarHBondContact OD2-NH2 3.26Å; D626-N771 PolarHBondContact OD2-ND2 3.47Å
627L93.4Very high92.1Very high16 Ų1636.9 Ų36.98%0.08419%0.185CC..Hα-helixtrans-66.1-39.1177.6-70.4172.3000113V623 F624 E625 R629 E630 N631 L682 L686 F759V623-L627 HydrophobicContact CG1-CD1 4.16Å; V623-L627 VanDerWaalsContact O-CG 3.31Å; V623-L627 WeakPolarHBondContact O-CG 3.12Å; V623-L627 PolarHBondContact O-N 2.91Å; F624-L627 PolarHBondContact O-N 3.01Å; E625-L627 VanDerWaalsContact C-N 3.33Å; E625-L627 PolarHBondContact O-N 2.83Å; L627-R629 VanDerWaalsContact C-N 3.31Å; L627-E630 PolarHBondContact O-N 2.75Å; L627-N631 VanDerWaalsContact O-CB 3.28Å; L627-N631 WeakPolarHBondContact O-CB 3.46Å; L627-N631 PolarHBondContact O-N 2.88Å; L627-N631 PolarHBondContact O-ND2 2.89Å; L627-L682 HydrophobicContact CD1-CB 4.1Å; L627-L682 HydrophobicContact CD1-CD1 4.2Å; L627-L682 HydrophobicContact CD1-CD2 4.45Å; L627-L682 HydrophobicContact CD1-CG 4.49Å; L627-L686 HydrophobicContact CB-CD1 4.13Å; L627-L686 HydrophobicContact CB-CD2 4.13Å; L627-F759 HydrophobicContact CD2-CE1 4.06Å; L627-F759 HydrophobicContact CD2-CE2 4.02Å; L627-F759 HydrophobicContact CD2-CZ 3.81Å
628I93.4Very high91.6Very high0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-60-45172.1-69.9163.7000109.5F624 E625 E630 N631 L632 V636 L642 F645 L686 L689F624-I628 HydrophobicContact CD1-CD1 3.72Å; F624-I628 HydrophobicContact CD1-CG1 4.49Å; F624-I628 HydrophobicContact CE1-CD1 3.66Å; F624-I628 HydrophobicContact CE1-CG1 4.38Å; F624-I628 HydrophobicContact CG-CD1 4.27Å; F624-I628 HydrophobicContact CZ-CD1 4.13Å; F624-I628 HydrophobicContact CZ-CG1 4.38Å; F624-I628 VanDerWaalsContact O-CG1 3.27Å; F624-I628 WeakPolarHBondContact O-CG1 3.37Å; F624-I628 PolarHBondContact O-N 2.91Å; E625-I628 PolarHBondContact O-N 2.93Å; I628-E630 VanDerWaalsContact C-N 3.33Å; I628-E630 PolarHBondContact O-N 2.82Å; I628-N631 PolarHBondContact O-N 3.15Å; I628-L632 HydrophobicContact CG2-CB 4.35Å; I628-L632 CarbonylContact O-C 3.58Å; I628-L632 WeakPolarHBondContact O-CA 3.35Å; I628-L632 PolarHBondContact O-N 2.73Å; I628-V636 HydrophobicContact CG2-CG2 4.21Å; I628-L642 HydrophobicContact CG2-CD2 4.27Å; I628-F645 HydrophobicContact CD1-CB 3.78Å; I628-F645 HydrophobicContact CD1-CG 4.19Å; I628-L686 HydrophobicContact CG1-CD2 4.01Å; I628-L689 HydrophobicContact CD1-CD1 3.58Å; I628-L689 HydrophobicContact CG1-CD1 3.83Å
629R91.8Very high90.9Very high109 Ų10942.4 Ų42.441%0.41121%0.21SC..Hα-helixtrans-64.8-35.8-179.1-162.5179.8-56.4105.21.3113.2E625 D626 L627E625-R629 WeakPolarHBondContact O-CB 3.29Å; E625-R629 PolarHBondContact O-N 2.85Å; E625-R629 IonicContact OE2-NH2 3.48Å; D626-R629 WeakPolarHBondContact O-CB 3.36Å; D626-R629 PolarHBondContact O-N 3.13Å; D626-R629 IonicContact OD1-CZ 3.5Å; D626-R629 IonicContact OD1-NH1 2.91Å; D626-R629 PolarHBondContact OD1-NH1 3Å; L627-R629 VanDerWaalsContact C-N 3.31Å
630E91.3Very high89.6Confident129 Ų12948.8 Ų48.860%0.60325%0.25SC*.Hα-helixtrans-79.4-35.8178.2-71.7172.8-17300113.1D626 L627 I628D626-E630 WeakPolarHBondContact O-CG 3.41Å; D626-E630 PolarHBondContact O-N 2.92Å; L627-E630 PolarHBondContact O-N 2.75Å; I628-E630 VanDerWaalsContact C-N 3.33Å; I628-E630 PolarHBondContact O-N 2.82Å
631N93.4Very high88.7Confident43 Ų4353.4 Ų53.423%0.2328%0.275CS..Hα-helixtrans-110.8-24.7-167.4-63.8-93.8000114.7L627 I628 P633 Y756 F759L627-N631 VanDerWaalsContact O-CB 3.28Å; L627-N631 WeakPolarHBondContact O-CB 3.46Å; L627-N631 PolarHBondContact O-N 2.88Å; L627-N631 PolarHBondContact O-ND2 2.89Å; I628-N631 PolarHBondContact O-N 3.15Å; N631-P633 WeakPolarHBondContact O-CD 3.25Å; N631-Y756 HydrophobicContact CB-CE1 4.11Å; N631-F759 WeakPolarHBondContact OD1-CZ 3.45Å
632L93.2Very high88.1Confident2 Ų253.4 Ų53.41%0.0128%0.275CS..  trans-124.550.4-176.8-52.6176.8000111.8I628 Q634 L635 L686 L689 D690 M693I628-L632 HydrophobicContact CG2-CB 4.35Å; I628-L632 CarbonylContact O-C 3.58Å; I628-L632 WeakPolarHBondContact O-CA 3.35Å; I628-L632 PolarHBondContact O-N 2.73Å; L632-Q634 PolarHBondContact O-N 2.83Å; L632-L635 HydrophobicContact CB-CD1 4.07Å; L632-L635 HydrophobicContact CD1-CD1 3.97Å; L632-L635 PolarHBondContact O-N 3.19Å; L632-L686 HydrophobicContact CD1-CD2 3.99Å; L632-L686 HydrophobicContact CG-CD2 4.42Å; L632-L689 HydrophobicContact CD1-CB 3.79Å; L632-L689 HydrophobicContact CD1-CD1 4.44Å; L632-D690 HydrophobicContact CD2-CB 3.81Å; L632-M693 HydrophobicContact CB-CE 4.44Å; L632-M693 HydrophobicContact CD2-CE 3.66Å
633P92Very high87.3Confident62 Ų6255.8 Ų55.840%0.40329%0.29SS..Hα-helixtrans-58.1-29.4-173.324.7-35.5000113.5N631 L635 V636 D637N631-P633 WeakPolarHBondContact O-CD 3.25Å; P633-L635 PolarHBondContact O-N 3.34Å; P633-V636 WeakPolarHBondContact O-CB 3.41Å; P633-V636 PolarHBondContact O-N 2.93Å; P633-D637 PolarHBondContact O-N 2.88Å
634Q90.4Very high87Confident113 Ų11356.3 Ų56.353%0.52829%0.293SS..Hα-helixtrans-58.3-32.3176.4-64.2179.38500113.5L632 H638 M693 I697L632-Q634 PolarHBondContact O-N 2.83Å; Q634-H638 PolarHBondContact O-ND1 3.27Å; Q634-M693 HydrophobicContact CB-SD 3.96Å; Q634-M693 HydrophobicContact CG-SD 4.46Å; Q634-M693 PolarHBondContact NE2-SD 2.92Å; Q634-M693 VanDerWaalsContact NE2-SD 3.41Å; Q634-I697 HydrophobicContact CB-CD1 4.03Å
635L88.9Confident86.5Confident0 Ų056.3 Ų56.30%029%0.293CS..Hα-helixtrans-72.3-41.7173.1-72.3173000110.8L632 P633 D637 H638 M639 F645 L689 M693 L696 I697L632-L635 HydrophobicContact CB-CD1 4.07Å; L632-L635 HydrophobicContact CD1-CD1 3.97Å; L632-L635 PolarHBondContact O-N 3.19Å; P633-L635 PolarHBondContact O-N 3.34Å; L635-D637 VanDerWaalsContact C-N 3.35Å; L635-D637 PolarHBondContact O-N 2.91Å; L635-H638 PolarHBondContact O-N 2.81Å; L635-M639 WeakPolarHBondContact O-CB 3.27Å; L635-M639 PolarHBondContact O-N 2.96Å; L635-F645 HydrophobicContact CD1-CZ 4.27Å; L635-F645 HydrophobicContact CD2-CZ 4.31Å; L635-L689 HydrophobicContact CD1-CB 4.15Å; L635-M693 HydrophobicContact CD2-CG 4.26Å; L635-M693 HydrophobicContact CG-CG 4.3Å; L635-L696 HydrophobicContact CD2-CB 3.79Å; L635-L696 HydrophobicContact CD2-CD1 4.29Å; L635-I697 HydrophobicContact CD2-CG1 3.92Å
636V86.4Confident86Confident34 Ų3454.7 Ų54.721%0.20629%0.287CS..Hα-helixtrans-66.3-36.5179.9-168.70000112.2I628 P633 H638 M639 L642I628-V636 HydrophobicContact CG2-CG2 4.21Å; P633-V636 WeakPolarHBondContact O-CB 3.41Å; P633-V636 PolarHBondContact O-N 2.93Å; V636-H638 PolarHBondContact O-N 2.9Å; V636-M639 CarbonylContact O-C 3.58Å; V636-L642 HydrophobicContact CG1-CD1 4.42Å; V636-L642 HydrophobicContact CG2-CD1 4.38Å; V636-L642 HydrophobicContact CG2-CD2 4.12Å
637D85.9Confident85.7Confident126 Ų12657.9 Ų57.967%0.67431%0.311SS*.Hα-helixtrans-65.9-24.5178.3-71.4-28.5000112.8P633 L635P633-D637 PolarHBondContact O-N 2.88Å; L635-D637 VanDerWaalsContact C-N 3.35Å; L635-D637 PolarHBondContact O-N 2.91Å
638H82.4Confident85.5Confident122 Ų12258 Ų5857%0.56531%0.312SS*.Hα-helixtrans-104.5-42.4179.8-69.585.6000113Q634 L635 V636 I697Q634-H638 PolarHBondContact O-ND1 3.27Å; L635-H638 PolarHBondContact O-N 2.81Å; V636-H638 PolarHBondContact O-N 2.9Å; H638-I697 HydrophobicContact CB-CG2 4.37Å
639M76.6Confident85.5Confident30 Ų3058 Ų5815%0.14831%0.312CS..  trans-98.891.9174.1-63.8-169.6-173.800109.6L635 V636 D641 F645 L696 C699L635-M639 WeakPolarHBondContact O-CB 3.27Å; L635-M639 PolarHBondContact O-N 2.96Å; V636-M639 CarbonylContact O-C 3.58Å; M639-D641 PolarHBondContact O-N 3.37Å; M639-F645 HydrophobicContact CB-CE2 4.25Å; M639-F645 HydrophobicContact CE-CZ 4.28Å; M639-F645 HydrophobicContact CG-CE2 4.49Å; M639-F645 HydrophobicContact SD-CE1 4.34Å; M639-F645 HydrophobicContact SD-CE2 3.52Å; M639-F645 VanDerWaalsContact SD-CE2 3.52Å; M639-F645 HydrophobicContact SD-CZ 3.32Å; M639-F645 WeakPolarHBondContact SD-CZ 3.28Å; M639-L696 HydrophobicContact CE-CB 4.08Å; M639-L696 WeakPolarHBondContact CE-O 3.46Å; M639-C699 WeakPolarHBondContact CE-SG 3.2Å
640T67Low85.5Confident140 Ų14054.8 Ų54.886%0.85930%0.303SS*.  trans-67-14.4-17953.10000114.1
641D76.9Confident85.5Confident97 Ų9751 Ų5152%0.51929%0.29SS..  trans-112.4109.8176.1-167.7-13.6000110.3M639 S643M639-D641 PolarHBondContact O-N 3.37Å; D641-S643 VanDerWaalsContact C-N 3.32Å; D641-S643 WeakPolarHBondContact OD1-CB 3.08Å; D641-S643 PolarHBondContact OD1-N 3.06Å; D641-S643 PolarHBondContact OD1-OG 3.19Å; D641-S643 PolarHBondContact OD2-OG 2.84Å
642L79.8Confident85.6Confident15 Ų1549 Ų498%0.07928%0.28CS..THydrogen-bonded Turntrans-83.9-7.1177.9-60.4178.9000113E625 I628 V636 F644 F645 S646E625-L642 HydrophobicContact CG-CB 4.2Å; I628-L642 HydrophobicContact CG2-CD2 4.27Å; V636-L642 HydrophobicContact CG1-CD1 4.42Å; V636-L642 HydrophobicContact CG2-CD1 4.38Å; V636-L642 HydrophobicContact CG2-CD2 4.12Å; L642-F644 PolarHBondContact O-N 3.33Å; L642-F644 VanDerWaalsContact O-N 3.17Å; L642-F645 HydrophobicContact CD2-CD2 3.87Å; L642-F645 HydrophobicContact CD2-CE2 4.23Å; L642-F645 PolarHBondContact O-N 3.2Å; L642-S646 PolarHBondContact O-N 3.03Å; L642-S646 VanDerWaalsContact O-N 3.16Å
643S78.3Confident85.7Confident62 Ų6248.9 Ų48.943%0.43428%0.279SS..Hα-helixtrans-62.2-25.2179.871.30000112.4D641 S647D641-S643 VanDerWaalsContact C-N 3.32Å; D641-S643 WeakPolarHBondContact OD1-CB 3.08Å; D641-S643 PolarHBondContact OD1-N 3.06Å; D641-S643 PolarHBondContact OD1-OG 3.19Å; D641-S643 PolarHBondContact OD2-OG 2.84Å; S643-S647 VanDerWaalsContact O-CB 3.3Å; S643-S647 WeakPolarHBondContact O-CB 3.32Å; S643-S647 PolarHBondContact O-N 3.04Å
644F85.9Confident85.7Confident13 Ų1347.1 Ų47.16%0.05727%0.266CS..Hα-helixtrans-55.3-54.9167171.4-103.4000112.3L642 S646 S647 V648 D702 A705 V706 L709L642-F644 PolarHBondContact O-N 3.33Å; L642-F644 VanDerWaalsContact O-N 3.17Å; F644-S646 VanDerWaalsContact C-N 3.31Å; F644-S646 PolarHBondContact O-N 3.23Å; F644-S647 WeakPolarHBondContact O-CB 3.36Å; F644-S647 PolarHBondContact O-N 3.39Å; F644-S647 VanDerWaalsContact O-N 3.12Å; F644-V648 HydrophobicContact CZ-CG1 4.5Å; F644-V648 PolarHBondContact O-N 2.88Å; F644-D702 HydrophobicContact CD2-CB 3.56Å; F644-D702 VanDerWaalsContact CD2-CG 3.47Å; F644-D702 HydrophobicContact CE2-CB 3.75Å; F644-D702 WeakPolarHBondContact CE2-O 3.42Å; F644-A705 HydrophobicContact CE1-CB 3.62Å; F644-A705 HydrophobicContact CE2-CB 4.08Å; F644-A705 HydrophobicContact CZ-CB 3.33Å; F644-V706 HydrophobicContact CE2-CG2 3.78Å; F644-V706 HydrophobicContact CZ-CG2 4.03Å; F644-L709 HydrophobicContact CE1-CD1 4.41Å; F644-L709 HydrophobicContact CZ-CD1 4.35Å
645F85.8Confident85.9Confident0 Ų042.1 Ų42.10%024%0.243CC..Hα-helixtrans-65.7-35-178.1-68-62.9000112.2I628 L635 M639 L642 S649 L689 L696I628-F645 HydrophobicContact CD1-CB 3.78Å; I628-F645 HydrophobicContact CD1-CG 4.19Å; L635-F645 HydrophobicContact CD1-CZ 4.27Å; L635-F645 HydrophobicContact CD2-CZ 4.31Å; M639-F645 HydrophobicContact CB-CE2 4.25Å; M639-F645 HydrophobicContact CE-CZ 4.28Å; M639-F645 HydrophobicContact CG-CE2 4.49Å; M639-F645 HydrophobicContact SD-CE1 4.34Å; M639-F645 HydrophobicContact SD-CE2 3.52Å; M639-F645 VanDerWaalsContact SD-CE2 3.52Å; M639-F645 HydrophobicContact SD-CZ 3.32Å; M639-F645 WeakPolarHBondContact SD-CZ 3.28Å; L642-F645 HydrophobicContact CD2-CD2 3.87Å; L642-F645 HydrophobicContact CD2-CE2 4.23Å; L642-F645 PolarHBondContact O-N 3.2Å; F645-S649 VanDerWaalsContact O-CB 3.22Å; F645-S649 WeakPolarHBondContact O-CB 3.2Å; F645-S649 PolarHBondContact O-N 2.88Å; F645-S649 PolarHBondContact O-OG 3.19Å; F645-L689 HydrophobicContact CD1-CD1 3.9Å; F645-L689 HydrophobicContact CD1-CD2 3.67Å; F645-L689 HydrophobicContact CD1-CG 4.46Å; F645-L689 HydrophobicContact CE1-CD1 4.31Å; F645-L689 HydrophobicContact CE1-CD2 3.68Å; F645-L689 HydrophobicContact CG-CD1 4.39Å; F645-L696 HydrophobicContact CE1-CD1 4.23Å
646S81.6Confident86.2Confident12 Ų1242.2 Ų42.28%0.08424%0.244CC..Hα-helixtrans-59.3-57.4166.6-86.50000110.9Q621 E625 L642 F644 V648 S649 L650Q621-S646 VanDerWaalsContact NE2-C 3.27Å; Q621-S646 PolarHBondContact NE2-O 3.21Å; E625-S646 VanDerWaalsContact CD-OG 3.3Å; E625-S646 VanDerWaalsContact CG-OG 3.29Å; E625-S646 WeakPolarHBondContact CG-OG 3.46Å; E625-S646 WeakPolarHBondContact OE1-CB 3.42Å; E625-S646 PolarHBondContact OE1-OG 3.12Å; L642-S646 PolarHBondContact O-N 3.03Å; L642-S646 VanDerWaalsContact O-N 3.16Å; F644-S646 VanDerWaalsContact C-N 3.31Å; F644-S646 PolarHBondContact O-N 3.23Å; S646-V648 VanDerWaalsContact C-N 3.32Å; S646-V648 PolarHBondContact O-N 2.9Å; S646-S649 PolarHBondContact O-N 2.82Å; S646-S649 VanDerWaalsContact O-N 3.08Å; S646-S649 PolarHBondContact O-OG 2.78Å; S646-L650 PolarHBondContact O-N 3.14Å
647S85.1Confident86.7Confident90 Ų9040.6 Ų40.663%0.62923%0.234SC*.Hα-helixtrans-53-45.8-175.1-171.90000112.9S643 F644S643-S647 VanDerWaalsContact O-CB 3.3Å; S643-S647 WeakPolarHBondContact O-CB 3.32Å; S643-S647 PolarHBondContact O-N 3.04Å; F644-S647 WeakPolarHBondContact O-CB 3.36Å; F644-S647 PolarHBondContact O-N 3.39Å; F644-S647 VanDerWaalsContact O-N 3.12Å
648V89.6Confident87.1Confident20 Ų2034.8 Ų34.812%0.12120%0.203CC..Hα-helixtrans-70.3-39.4178.571.20000112.8F644 S646 L650 S651 W652 L709F644-V648 HydrophobicContact CZ-CG1 4.5Å; F644-V648 PolarHBondContact O-N 2.88Å; S646-V648 VanDerWaalsContact C-N 3.32Å; S646-V648 PolarHBondContact O-N 2.9Å; V648-L650 VanDerWaalsContact C-N 3.26Å; V648-L650 PolarHBondContact O-N 3.12Å; V648-S651 PolarHBondContact O-N 3.33Å; V648-S651 PolarHBondContact O-OG 3.08Å; V648-W652 HydrophobicContact CB-CZ2 4.49Å; V648-W652 HydrophobicContact CG1-CH2 4.1Å; V648-W652 HydrophobicContact CG1-CZ2 3.95Å; V648-W652 HydrophobicContact CG2-CZ2 3.82Å; V648-L709 HydrophobicContact CG1-CD1 4.26Å; V648-L709 HydrophobicContact CG2-CD1 4.33Å
649S93.1Very high87.5Confident0 Ų031.4 Ų31.40%019%0.193CC..Hα-helixtrans-70.7-16.6-176.972.60000114.2F645 S646 S651 W652 F653F645-S649 VanDerWaalsContact O-CB 3.22Å; F645-S649 WeakPolarHBondContact O-CB 3.2Å; F645-S649 PolarHBondContact O-N 2.88Å; F645-S649 PolarHBondContact O-OG 3.19Å; S646-S649 PolarHBondContact O-N 2.82Å; S646-S649 VanDerWaalsContact O-N 3.08Å; S646-S649 PolarHBondContact O-OG 2.78Å; S649-S651 VanDerWaalsContact C-N 3.25Å; S649-S651 PolarHBondContact O-N 3.23Å; S649-W652 WeakPolarHBondContact O-CB 3.46Å; S649-W652 PolarHBondContact O-N 3.48Å; S649-W652 VanDerWaalsContact O-N 3.1Å; S649-F653 WeakPolarHBondContact O-CG 3.22Å; S649-F653 PolarHBondContact O-N 2.91Å
650L91.8Very high88.3Confident41 Ų4131 Ų3122%0.21519%0.192CC..Hα-helixtrans-54.6-44.3174.7-169.652.4000112I614 A617 L618 S646 V648 W652 F653 L654I614-L650 HydrophobicContact CD1-CD1 4.17Å; I614-L650 HydrophobicContact CD1-CD2 4.02Å; A617-L650 HydrophobicContact CB-CD1 3.9Å; L618-L650 HydrophobicContact CD2-CD1 4.46Å; S646-L650 PolarHBondContact O-N 3.14Å; V648-L650 VanDerWaalsContact C-N 3.26Å; V648-L650 PolarHBondContact O-N 3.12Å; L650-W652 VanDerWaalsContact C-N 3.33Å; L650-W652 PolarHBondContact O-N 3.48Å; L650-F653 PolarHBondContact O-N 3.16Å; L650-L654 HydrophobicContact CD1-CD1 3.95Å; L650-L654 HydrophobicContact CD1-CG 4.1Å; L650-L654 HydrophobicContact CG-CD1 3.89Å; L650-L654 HydrophobicContact CG-CG 4.43Å; L650-L654 WeakPolarHBondContact O-CB 3.38Å; L650-L654 WeakPolarHBondContact O-CG 3.29Å; L650-L654 PolarHBondContact O-N 2.86Å
651S91.4Very high89.5Confident48 Ų4824.6 Ų24.634%0.33615%0.153SC..Hα-helixtrans-65.5-37.7179.9680000112.1V648 S649 T655V648-S651 PolarHBondContact O-N 3.33Å; V648-S651 PolarHBondContact O-OG 3.08Å; S649-S651 VanDerWaalsContact C-N 3.25Å; S649-S651 PolarHBondContact O-N 3.23Å; S651-T655 PolarHBondContact O-N 3.46Å; S651-T655 PolarHBondContact O-OG1 2.6Å
652W95.1Very high90.1Very high2 Ų221.4 Ų21.41%0.00814%0.137CC..Hα-helixtrans-66.8-41.9177.6-50.1-13.5000110.6F624 V648 S649 L650 L656 F657 V688 L689 L709 F713F624-W652 HydrophobicContact CE1-CZ3 4.23Å; F624-W652 HydrophobicContact CZ-CZ3 4.28Å; V648-W652 HydrophobicContact CB-CZ2 4.49Å; V648-W652 HydrophobicContact CG1-CH2 4.1Å; V648-W652 HydrophobicContact CG1-CZ2 3.95Å; V648-W652 HydrophobicContact CG2-CZ2 3.82Å; S649-W652 WeakPolarHBondContact O-CB 3.46Å; S649-W652 PolarHBondContact O-N 3.48Å; S649-W652 VanDerWaalsContact O-N 3.1Å; L650-W652 VanDerWaalsContact C-N 3.33Å; L650-W652 PolarHBondContact O-N 3.48Å; W652-L656 CarbonylContact O-C 3.48Å; W652-L656 VanDerWaalsContact O-CA 3.29Å; W652-L656 WeakPolarHBondContact O-CA 3.23Å; W652-L656 PolarHBondContact O-N 2.76Å; W652-F657 HydrophobicContact CB-CD1 3.92Å; W652-F657 HydrophobicContact CB-CD2 4.26Å; W652-F657 HydrophobicContact CB-CE1 3.7Å; W652-F657 HydrophobicContact CB-CE2 4.08Å; W652-F657 HydrophobicContact CB-CG 4.19Å; W652-F657 HydrophobicContact CB-CZ 3.79Å; W652-F657 HydrophobicContact CD2-CD1 4.43Å; W652-F657 AromaticContact CD2-CE1 3.65Å; W652-F657 HydrophobicContact CD2-CE1 3.65Å; W652-F657 HydrophobicContact CD2-CZ 4.05Å; W652-F657 AromaticContact CE3-CE1 3.77Å; W652-F657 HydrophobicContact CE3-CE1 3.77Å; W652-F657 AromaticContact CE3-CZ 3.78Å; W652-F657 HydrophobicContact CE3-CZ 3.78Å; W652-F657 AromaticContact CG-CD1 4Å; W652-F657 HydrophobicContact CG-CD1 4Å; W652-F657 AromaticContact CG-CE1 3.64Å; W652-F657 HydrophobicContact CG-CE1 3.64Å; W652-F657 HydrophobicContact CG-CZ 4.1Å; W652-F657 PolarHBondContact O-N 3.37Å; W652-V688 HydrophobicContact CH2-CG1 4.43Å; W652-L689 HydrophobicContact CH2-CD2 4.04Å; W652-L709 HydrophobicContact CH2-CD1 4.33Å; W652-L709 HydrophobicContact CH2-CD2 4.43Å; W652-L709 HydrophobicContact CZ2-CD1 4.16Å; W652-F713 HydrophobicContact CD2-CZ 4.23Å; W652-F713 AromaticContact CE2-CE2 3.77Å; W652-F713 AromaticContact CE2-CZ 3.61Å; W652-F713 HydrophobicContact CH2-CZ 4.39Å; W652-F713 AromaticContact CZ2-CE2 3.78Å; W652-F713 HydrophobicContact CZ2-CE2 3.78Å; W652-F713 AromaticContact CZ2-CZ 3.7Å; W652-F713 HydrophobicContact CZ2-CZ 3.7Å; W652-F713 AromaticContact NE1-CE2 3.58Å; W652-F713 AromaticContact NE1-CZ 3.72Å
653F95.3Very high90.5Very high0 Ų021.3 Ų21.30%014%0.137CC..Hα-helixtrans-77.9-41.1-175.4-62.6-8.1000112.6Y609 D620 Q621 F624 S649 L650 T655 I681 L682Y609-F653 HydrophobicContact CE1-CB 4.26Å; D620-F653 HydrophobicContact CB-CD2 4.4Å; Q621-F653 HydrophobicContact CG-CD2 4.2Å; Q621-F653 HydrophobicContact CG-CE2 4.3Å; F624-F653 HydrophobicContact CB-CE2 3.93Å; F624-F653 HydrophobicContact CB-CZ 3.82Å; F624-F653 HydrophobicContact CD1-CE2 4.42Å; F624-F653 AromaticContact CD1-CZ 3.85Å; F624-F653 HydrophobicContact CD1-CZ 3.85Å; F624-F653 HydrophobicContact CD2-CZ 4.01Å; F624-F653 HydrophobicContact CE1-CZ 4.38Å; F624-F653 HydrophobicContact CG-CE2 4.22Å; F624-F653 AromaticContact CG-CZ 3.65Å; F624-F653 HydrophobicContact CG-CZ 3.65Å; S649-F653 WeakPolarHBondContact O-CG 3.22Å; S649-F653 PolarHBondContact O-N 2.91Å; L650-F653 PolarHBondContact O-N 3.16Å; F653-T655 VanDerWaalsContact C-N 3.27Å; F653-T655 PolarHBondContact O-N 2.72Å; F653-I681 HydrophobicContact CD1-CG2 3.48Å; F653-I681 VanDerWaalsContact CD1-CG2 3.48Å; F653-I681 HydrophobicContact CE1-CG2 3.86Å; F653-I681 HydrophobicContact CG-CG2 4.45Å; F653-L682 HydrophobicContact CE1-CD2 4.47Å; F653-L682 HydrophobicContact CE2-CD2 4.14Å; F653-L682 HydrophobicContact CZ-CD2 3.79Å
654L92.6Very high90.9Very high24 Ų2419.7 Ų19.713%0.12612%0.122CC..Hα-helixtrans-65.8-28.9177.3-73.8174.6000113.1A577 Y609 F610 A617 L650A577-L654 HydrophobicContact CB-CB 3.99Å; Y609-L654 HydrophobicContact CD1-CD2 4.46Å; F610-L654 HydrophobicContact CE1-CD2 4.45Å; A617-L654 HydrophobicContact CB-CD2 3.86Å; A617-L654 HydrophobicContact CB-CG 4.35Å; L650-L654 HydrophobicContact CD1-CD1 3.95Å; L650-L654 HydrophobicContact CD1-CG 4.1Å; L650-L654 HydrophobicContact CG-CD1 3.89Å; L650-L654 HydrophobicContact CG-CG 4.43Å; L650-L654 WeakPolarHBondContact O-CB 3.38Å; L650-L654 WeakPolarHBondContact O-CG 3.29Å; L650-L654 PolarHBondContact O-N 2.86Å
655T94.2Very high91.2Very high9 Ų919.1 Ų19.16%0.05512%0.12CC..Hα-helixtrans-110.94.1-177.3700000114.1A577 S651 F653 F657 I658 S659A577-T655 HydrophobicContact CB-CG2 3.77Å; S651-T655 PolarHBondContact O-N 3.46Å; S651-T655 PolarHBondContact O-OG1 2.6Å; F653-T655 VanDerWaalsContact C-N 3.27Å; F653-T655 PolarHBondContact O-N 2.72Å; T655-F657 VanDerWaalsContact C-N 3.26Å; T655-F657 PolarHBondContact O-N 3.38Å; T655-I658 WeakPolarHBondContact O-CB 3.37Å; T655-I658 VanDerWaalsContact O-CD1 3.25Å; T655-I658 WeakPolarHBondContact O-CD1 3.31Å; T655-I658 WeakPolarHBondContact O-CG1 3.25Å; T655-I658 PolarHBondContact O-N 3.12Å; T655-S659 PolarHBondContact OG1-N 3.21Å; T655-S659 PolarHBondContact OG1-OG 3.09Å; T655-S659 VanDerWaalsContact OG1-OG 3.04Å
656L96.3Very high91.6Very high2 Ų219.1 Ų19.11%0.0112%0.12CC..THydrogen-bonded Turntrans52.243.8-173.9-56.1176.6000112.9L581 L606 W652 I658 F673 I681L581-L656 HydrophobicContact CD1-CD1 3.97Å; L606-L656 HydrophobicContact CD1-CD2 4.17Å; W652-L656 CarbonylContact O-C 3.48Å; W652-L656 VanDerWaalsContact O-CA 3.29Å; W652-L656 WeakPolarHBondContact O-CA 3.23Å; W652-L656 PolarHBondContact O-N 2.76Å; L656-I658 PolarHBondContact O-N 3.45Å; L656-I658 VanDerWaalsContact O-N 3.13Å; L656-F673 HydrophobicContact CD1-CD1 3.45Å; L656-F673 VanDerWaalsContact CD1-CD1 3.45Å; L656-F673 HydrophobicContact CD1-CD2 4.29Å; L656-F673 HydrophobicContact CD1-CE1 3.61Å; L656-F673 HydrophobicContact CD1-CE2 4.43Å; L656-F673 HydrophobicContact CD1-CG 3.81Å; L656-F673 HydrophobicContact CD1-CZ 4.11Å; L656-F673 HydrophobicContact CD2-CD1 4.38Å; L656-F673 HydrophobicContact CD2-CD2 3.7Å; L656-F673 HydrophobicContact CD2-CE2 3.9Å; L656-F673 HydrophobicContact CD2-CG 3.96Å; L656-F673 HydrophobicContact CD2-CZ 4.32Å; L656-I681 HydrophobicContact CB-CD1 4.33Å; L656-I681 HydrophobicContact CD2-CD1 3.87Å; L656-I681 HydrophobicContact CD2-CG1 3.79Å
657F96.3Very high92.1Very high0 Ų018.6 Ų18.60%012%0.116CC..THydrogen-bonded Turntrans61.70-171.2-69-95.8000116.4W652 T655 S659 V660 L661 V669 I681 L684 V688 F713W652-F657 HydrophobicContact CB-CD1 3.92Å; W652-F657 HydrophobicContact CB-CD2 4.26Å; W652-F657 HydrophobicContact CB-CE1 3.7Å; W652-F657 HydrophobicContact CB-CE2 4.08Å; W652-F657 HydrophobicContact CB-CG 4.19Å; W652-F657 HydrophobicContact CB-CZ 3.79Å; W652-F657 HydrophobicContact CD2-CD1 4.43Å; W652-F657 AromaticContact CD2-CE1 3.65Å; W652-F657 HydrophobicContact CD2-CE1 3.65Å; W652-F657 HydrophobicContact CD2-CZ 4.05Å; W652-F657 AromaticContact CE3-CE1 3.77Å; W652-F657 HydrophobicContact CE3-CE1 3.77Å; W652-F657 AromaticContact CE3-CZ 3.78Å; W652-F657 HydrophobicContact CE3-CZ 3.78Å; W652-F657 AromaticContact CG-CD1 4Å; W652-F657 HydrophobicContact CG-CD1 4Å; W652-F657 AromaticContact CG-CE1 3.64Å; W652-F657 HydrophobicContact CG-CE1 3.64Å; W652-F657 HydrophobicContact CG-CZ 4.1Å; W652-F657 PolarHBondContact O-N 3.37Å; T655-F657 VanDerWaalsContact C-N 3.26Å; T655-F657 PolarHBondContact O-N 3.38Å; F657-S659 VanDerWaalsContact C-N 3.25Å; F657-S659 PolarHBondContact O-N 3.44Å; F657-V660 HydrophobicContact CB-CG2 4.15Å; F657-V660 HydrophobicContact CD1-CG2 3.73Å; F657-V660 HydrophobicContact CG-CG2 4.38Å; F657-V660 WeakPolarHBondContact O-CG2 3.47Å; F657-V660 PolarHBondContact O-N 2.94Å; F657-V660 VanDerWaalsContact O-N 3.09Å; F657-L661 HydrophobicContact CB-CD1 3.78Å; F657-L661 HydrophobicContact CB-CG 4.18Å; F657-L661 HydrophobicContact CG-CD1 4.47Å; F657-L661 PolarHBondContact O-N 2.74Å; F657-V669 HydrophobicContact CD2-CG1 4.25Å; F657-I681 HydrophobicContact CD2-CD1 4.44Å; F657-I681 HydrophobicContact CD2-CG2 4.14Å; F657-I681 HydrophobicContact CE2-CG2 3.73Å; F657-L684 HydrophobicContact CD2-CD2 3.87Å; F657-L684 HydrophobicContact CE2-CB 4.34Å; F657-L684 HydrophobicContact CE2-CD2 3.91Å; F657-L684 HydrophobicContact CE2-CG 4.21Å; F657-L684 HydrophobicContact CG-CD2 4.24Å; F657-L684 HydrophobicContact CZ-CD2 4.33Å; F657-L684 HydrophobicContact CZ-CG 4.28Å; F657-V688 HydrophobicContact CE1-CG2 4.49Å; F657-F713 AromaticContact CD1-CE1 3.9Å; F657-F713 HydrophobicContact CD1-CE1 3.9Å; F657-F713 HydrophobicContact CD1-CZ 4.19Å; F657-F713 AromaticContact CE1-CE1 3.9Å; F657-F713 HydrophobicContact CE1-CE1 3.9Å; F657-F713 AromaticContact CE1-CZ 3.95Å; F657-F713 HydrophobicContact CE1-CZ 3.95Å
658I94.1Very high92.6Very high4 Ų414.4 Ų14.42%0.0219%0.087CC..THydrogen-bonded Turntrans-60.9-31-177.2-58.7161.9000112.4L543 I580 L581 V584 T655 L656 V660 A666 V670L543-I658 HydrophobicContact CD2-CG2 4.25Å; I580-I658 HydrophobicContact CG2-CB 3.9Å; I580-I658 HydrophobicContact CG2-CG2 3.45Å; I580-I658 VanDerWaalsContact CG2-CG2 3.45Å; L581-I658 HydrophobicContact CD1-CD1 4.08Å; V584-I658 HydrophobicContact CB-CD1 4.17Å; V584-I658 HydrophobicContact CG2-CD1 3.82Å; V584-I658 HydrophobicContact CG2-CG1 4.27Å; V584-I658 HydrophobicContact CG2-CG2 3.62Å; T655-I658 WeakPolarHBondContact O-CB 3.37Å; T655-I658 VanDerWaalsContact O-CD1 3.25Å; T655-I658 WeakPolarHBondContact O-CD1 3.31Å; T655-I658 WeakPolarHBondContact O-CG1 3.25Å; T655-I658 PolarHBondContact O-N 3.12Å; L656-I658 PolarHBondContact O-N 3.45Å; L656-I658 VanDerWaalsContact O-N 3.13Å; I658-V660 VanDerWaalsContact C-N 3.33Å; I658-A666 HydrophobicContact CB-CB 4.38Å; I658-A666 HydrophobicContact CG1-CB 4.11Å; I658-V670 HydrophobicContact CD1-CG2 3.96Å; I658-V670 HydrophobicContact CG1-CG2 4.08Å
659S91.6Very high93Very high51 Ų5113.7 Ų13.736%0.3578%0.082SC..THydrogen-bonded Turntrans-80.7-9.9179.469.10000115T655 F657T655-S659 PolarHBondContact OG1-N 3.21Å; T655-S659 PolarHBondContact OG1-OG 3.09Å; T655-S659 VanDerWaalsContact OG1-OG 3.04Å; F657-S659 VanDerWaalsContact C-N 3.25Å; F657-S659 PolarHBondContact O-N 3.44Å
660V92.4Very high93.2Very high22 Ų2213.7 Ų13.713%0.1338%0.082CC..THydrogen-bonded Turntrans-118.2-27.7-177.1-60.90000113.2F657 I658 F713F657-V660 HydrophobicContact CB-CG2 4.15Å; F657-V660 HydrophobicContact CD1-CG2 3.73Å; F657-V660 HydrophobicContact CG-CG2 4.38Å; F657-V660 WeakPolarHBondContact O-CG2 3.47Å; F657-V660 PolarHBondContact O-N 2.94Å; F657-V660 VanDerWaalsContact O-N 3.09Å; I658-V660 VanDerWaalsContact C-N 3.33Å; V660-F713 HydrophobicContact CB-CD2 3.96Å; V660-F713 HydrophobicContact CB-CE2 4.24Å; V660-F713 HydrophobicContact CB-CG 4.14Å; V660-F713 HydrophobicContact CG2-CD1 4.16Å; V660-F713 HydrophobicContact CG2-CD2 4.21Å; V660-F713 HydrophobicContact CG2-CE1 4.07Å; V660-F713 HydrophobicContact CG2-CE2 4.14Å; V660-F713 HydrophobicContact CG2-CG 4.24Å; V660-F713 HydrophobicContact CG2-CZ 4.06Å; V660-F713 WeakPolarHBondContact O-CB 3.31Å
661L92.8Very high93.5Very high5 Ų511.8 Ų11.83%0.0267%0.072CC..SBendtrans-93148.7174.7-71.7175.6000111.7F657 A666 V669 F713 V716 I745F657-L661 HydrophobicContact CB-CD1 3.78Å; F657-L661 HydrophobicContact CB-CG 4.18Å; F657-L661 HydrophobicContact CG-CD1 4.47Å; F657-L661 PolarHBondContact O-N 2.74Å; L661-A666 HydrophobicContact CB-CB 4.12Å; L661-V669 HydrophobicContact CD1-CG2 3.78Å; L661-F713 HydrophobicContact CD2-CD1 3.76Å; L661-F713 HydrophobicContact CG-CD1 4.33Å; L661-V716 HydrophobicContact CD2-CB 3.76Å; L661-V716 HydrophobicContact CD2-CG1 3.81Å; L661-V716 HydrophobicContact CD2-CG2 4Å; L661-I745 HydrophobicContact CD1-CD1 4.23Å
662P89.8Confident93.7Very high30 Ų309.7 Ų9.720%0.1956%0.057CC..  trans-52.6143.7163.1-26.536.5000111.3E664 S665 A666P662-E664 VanDerWaalsContact C-N 3.26Å; P662-E664 PolarHBondContact O-N 3.32Å; P662-S665 WeakPolarHBondContact O-CA 3.41Å; P662-S665 WeakPolarHBondContact O-CB 3.41Å; P662-S665 PolarHBondContact O-N 2.73Å; P662-A666 PolarHBondContact O-N 3.46Å
663I87.4Confident93.8Very high12 Ų129.6 Ų9.66%0.0626%0.057CC..Hα-helixtrans-57.6-39.8-169.9-178.958.1000112.3L543 V584 L587 S665 A666 V667 V727L543-I663 HydrophobicContact CD1-CD1 4.24Å; V584-I663 HydrophobicContact CG1-CD1 4.33Å; V584-I663 HydrophobicContact CG2-CD1 3.55Å; L587-I663 HydrophobicContact CD1-CG1 4.4Å; I663-S665 PolarHBondContact O-N 3.37Å; I663-A666 PolarHBondContact O-N 3.07Å; I663-V667 HydrophobicContact CD1-CG1 4.07Å; I663-V667 WeakPolarHBondContact O-CG1 3.3Å; I663-V667 WeakPolarHBondContact O-CG2 3.36Å; I663-V667 PolarHBondContact O-N 3.47Å; I663-V667 VanDerWaalsContact O-N 3.1Å; I663-V727 HydrophobicContact CG2-CG1 4.28Å
664E86.1Confident93.9Very high29 Ų299.6 Ų9.614%0.1366%0.057CC..Hα-helixtrans-63.2-25.4176.365.7-85.6-160.200113.9P662 V667 N718 S721 L723P662-E664 VanDerWaalsContact C-N 3.26Å; P662-E664 PolarHBondContact O-N 3.32Å; E664-V667 WeakPolarHBondContact O-CG2 3.47Å; E664-N718 HydrophobicContact CB-CB 4.24Å; E664-N718 HydrophobicContact CG-CB 3.91Å; E664-N718 PolarHBondContact O-ND2 3.27Å; E664-S721 VanDerWaalsContact CB-OG 3.3Å; E664-S721 WeakPolarHBondContact CB-OG 3.15Å; E664-L723 HydrophobicContact CB-CD1 4.01Å
665S92.8Very high93.9Very high0 Ų09.3 Ų9.30%05%0.054CC..Hα-helixtrans-88.2-42.5174.2-63.30000110.7P662 I663 V667 N668P662-S665 WeakPolarHBondContact O-CA 3.41Å; P662-S665 WeakPolarHBondContact O-CB 3.41Å; P662-S665 PolarHBondContact O-N 2.73Å; I663-S665 PolarHBondContact O-N 3.37Å; S665-V667 VanDerWaalsContact C-N 3.3Å; S665-V667 PolarHBondContact O-N 3Å; S665-N668 PolarHBondContact O-N 3.29Å
666A93.6Very high93.8Very high0 Ų09.3 Ų9.30%05%0.054CC..Hα-helixtrans-58.2-38.1-179.900000112.9I658 L661 P662 I663 N668 V669 V670I658-A666 HydrophobicContact CB-CB 4.38Å; I658-A666 HydrophobicContact CG1-CB 4.11Å; L661-A666 HydrophobicContact CB-CB 4.12Å; P662-A666 PolarHBondContact O-N 3.46Å; I663-A666 PolarHBondContact O-N 3.07Å; A666-N668 VanDerWaalsContact C-N 3.29Å; A666-N668 PolarHBondContact O-N 2.99Å; A666-V669 WeakPolarHBondContact O-CA 3.02Å; A666-V669 WeakPolarHBondContact O-CB 3.36Å; A666-V669 PolarHBondContact O-N 3.4Å; A666-V670 WeakPolarHBondContact O-CG2 3.13Å; A666-V670 PolarHBondContact O-N 3.38Å
667V93.8Very high93.7Very high2 Ų29.5 Ų9.51%0.0126%0.057CC..Hα-helixtrans-62.5-31.8-180-67.70000113.5V584 Y588 I663 E664 S665 V669 V670 D671V584-V667 HydrophobicContact CG1-CG1 4.06Å; Y588-V667 HydrophobicContact CD2-CG1 4.4Å; Y588-V667 HydrophobicContact CE2-CB 4.44Å; Y588-V667 HydrophobicContact CE2-CG1 3.47Å; Y588-V667 VanDerWaalsContact CE2-CG1 3.47Å; I663-V667 HydrophobicContact CD1-CG1 4.07Å; I663-V667 WeakPolarHBondContact O-CG1 3.3Å; I663-V667 WeakPolarHBondContact O-CG2 3.36Å; I663-V667 PolarHBondContact O-N 3.47Å; I663-V667 VanDerWaalsContact O-N 3.1Å; E664-V667 WeakPolarHBondContact O-CG2 3.47Å; S665-V667 VanDerWaalsContact C-N 3.3Å; S665-V667 PolarHBondContact O-N 3Å; V667-V669 VanDerWaalsContact C-N 3.31Å; V667-V669 PolarHBondContact O-N 2.86Å; V667-V670 PolarHBondContact O-N 3.39Å; V667-D671 PolarHBondContact O-N 3.02Å
668N95.3Very high93.6Very high2 Ų210.3 Ų10.31%0.0116%0.061CC..Hα-helixtrans-69.6-29.6173.6-74.947.2000112R496 S665 A666 C672 N718 I745 I749R496-N668 PolarHBondContact NH2-OD1 3.35Å; S665-N668 PolarHBondContact O-N 3.29Å; A666-N668 VanDerWaalsContact C-N 3.29Å; A666-N668 PolarHBondContact O-N 2.99Å; N668-C672 PolarHBondContact O-N 3.4Å; N668-C672 PolarHBondContact O-SG 3.49Å; N668-N718 PolarHBondContact OD1-ND2 3.31Å; N668-I745 HydrophobicContact CB-CG1 4.3Å; N668-I749 HydrophobicContact CB-CD1 3.78Å
669V97.4Very high93.6Very high4 Ų410.7 Ų10.72%0.0246%0.063CC..Hα-helixtrans-72-41.6172.7-176.20000110.4F657 L661 A666 V667 C672 F673 I681 L684 I745 I749F657-V669 HydrophobicContact CD2-CG1 4.25Å; L661-V669 HydrophobicContact CD1-CG2 3.78Å; A666-V669 WeakPolarHBondContact O-CA 3.02Å; A666-V669 WeakPolarHBondContact O-CB 3.36Å; A666-V669 PolarHBondContact O-N 3.4Å; V667-V669 VanDerWaalsContact C-N 3.31Å; V667-V669 PolarHBondContact O-N 2.86Å; V669-C672 PolarHBondContact O-N 2.91Å; V669-F673 PolarHBondContact O-N 2.96Å; V669-I681 HydrophobicContact CG1-CD1 3.62Å; V669-L684 HydrophobicContact CB-CD2 4.17Å; V669-L684 HydrophobicContact CG1-CD2 3.53Å; V669-L684 HydrophobicContact CG2-CD2 3.49Å; V669-L684 VanDerWaalsContact CG2-CD2 3.49Å; V669-I745 HydrophobicContact CG2-CD1 4Å; V669-I749 HydrophobicContact CG2-CD1 4.29Å
670V97.4Very high93.8Very high0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-62.9-40.2174.9175.60000111.4W500 I658 A666 V667 C672 F673 F674W500-V670 HydrophobicContact CD2-CG1 4.43Å; W500-V670 HydrophobicContact CH2-CG1 3.82Å; W500-V670 HydrophobicContact CZ2-CB 4.18Å; W500-V670 HydrophobicContact CZ2-CG1 3.59Å; W500-V670 HydrophobicContact CZ3-CG1 4.33Å; I658-V670 HydrophobicContact CD1-CG2 3.96Å; I658-V670 HydrophobicContact CG1-CG2 4.08Å; A666-V670 WeakPolarHBondContact O-CG2 3.13Å; A666-V670 PolarHBondContact O-N 3.38Å; V667-V670 PolarHBondContact O-N 3.39Å; V670-C672 VanDerWaalsContact C-N 3.31Å; V670-C672 PolarHBondContact O-N 3.49Å; V670-F673 PolarHBondContact O-N 3.19Å; V670-F674 HydrophobicContact CG1-CD2 3.61Å; V670-F674 HydrophobicContact CG1-CE2 3.46Å; V670-F674 VanDerWaalsContact CG1-CE2 3.46Å; V670-F674 WeakPolarHBondContact O-CD2 3.46Å; V670-F674 PolarHBondContact O-N 3.18Å
671D97.2Very high94Very high1 Ų17.5 Ų7.51%0.0054%0.042CC..Hα-helixtrans-53.9-47.2171.6-70.1-29.8000111.2I487 V491 R496 W500 V667 Y675I487-D671 HydrophobicContact CG2-CB 4.2Å; I487-D671 WeakPolarHBondContact CG2-O 3.42Å; V491-D671 HydrophobicContact CB-CB 4.48Å; V491-D671 WeakPolarHBondContact CB-OD2 3.22Å; V491-D671 HydrophobicContact CG2-CB 3.86Å; V491-D671 PolarHBondContact N-OD2 3.41Å; R496-D671 IonicContact CZ-OD2 2.78Å; R496-D671 IonicContact NE-OD1 3.33Å; R496-D671 PolarHBondContact NE-OD1 3.22Å; R496-D671 IonicContact NE-OD2 2.86Å; R496-D671 PolarHBondContact NE-OD2 2.94Å; R496-D671 VanDerWaalsContact NE-OD2 3.12Å; R496-D671 IonicContact NH2-OD2 3.87Å; R496-D671 PolarHBondContact NH2-OD2 3.42Å; W500-D671 PolarHBondContact NE1-OD1 3.43Å; V667-D671 PolarHBondContact O-N 3.02Å; D671-Y675 PolarHBondContact O-N 2.82Å
672C97.3Very high94.2Very high4 Ų47.4 Ų7.43%0.0274%0.041CC..Hα-helixtrans-69.2-40.5178.2-63.10000112.6N668 V669 V670 Y675 D676 A680 Y753N668-C672 PolarHBondContact O-N 3.4Å; N668-C672 PolarHBondContact O-SG 3.49Å; V669-C672 PolarHBondContact O-N 2.91Å; V670-C672 VanDerWaalsContact C-N 3.31Å; V670-C672 PolarHBondContact O-N 3.49Å; C672-Y675 PolarHBondContact O-N 2.84Å; C672-D676 PolarHBondContact O-N 2.75Å; C672-A680 HydrophobicContact CB-CB 4.06Å; C672-Y753 HydrophobicContact CB-CE2 4.24Å
673F97.3Very high94.5Very high0 Ų06 Ų60%03%0.032CC..Hα-helixtrans-61.1-45.3176.5164.9-98.3000112.2V601 M605 L606 L656 V669 V670 Y675 G677 I681V601-F673 HydrophobicContact CG1-CE1 4.36Å; V601-F673 HydrophobicContact CG1-CZ 4.26Å; V601-F673 HydrophobicContact CG2-CE1 3.99Å; M605-F673 HydrophobicContact CB-CZ 3.85Å; M605-F673 HydrophobicContact CE-CD1 4.41Å; M605-F673 HydrophobicContact CE-CE1 3.89Å; M605-F673 HydrophobicContact CE-CE2 4.36Å; M605-F673 HydrophobicContact CE-CZ 3.87Å; M605-F673 WeakPolarHBondContact CE-O 2.96Å; M605-F673 HydrophobicContact SD-CE1 4.23Å; M605-F673 HydrophobicContact SD-CZ 4.34Å; L606-F673 HydrophobicContact CD1-CE2 4.25Å; L606-F673 HydrophobicContact CD1-CZ 4.03Å; L606-F673 HydrophobicContact CD2-CE2 3.75Å; L606-F673 HydrophobicContact CD2-CZ 4.15Å; L606-F673 HydrophobicContact CG-CE2 3.96Å; L606-F673 HydrophobicContact CG-CZ 3.82Å; L656-F673 HydrophobicContact CD1-CD1 3.45Å; L656-F673 VanDerWaalsContact CD1-CD1 3.45Å; L656-F673 HydrophobicContact CD1-CD2 4.29Å; L656-F673 HydrophobicContact CD1-CE1 3.61Å; L656-F673 HydrophobicContact CD1-CE2 4.43Å; L656-F673 HydrophobicContact CD1-CG 3.81Å; L656-F673 HydrophobicContact CD1-CZ 4.11Å; L656-F673 HydrophobicContact CD2-CD1 4.38Å; L656-F673 HydrophobicContact CD2-CD2 3.7Å; L656-F673 HydrophobicContact CD2-CE2 3.9Å; L656-F673 HydrophobicContact CD2-CG 3.96Å; L656-F673 HydrophobicContact CD2-CZ 4.32Å; V669-F673 PolarHBondContact O-N 2.96Å; V670-F673 PolarHBondContact O-N 3.19Å; F673-Y675 PolarHBondContact O-N 3.39Å; F673-G677 WeakPolarHBondContact O-CA 3.49Å; F673-G677 PolarHBondContact O-N 2.7Å; F673-I681 HydrophobicContact CB-CD1 4.04Å; F673-I681 HydrophobicContact CB-CG1 4.41Å; F673-I681 HydrophobicContact CD2-CD1 4.48Å; F673-I681 HydrophobicContact CD2-CG1 4.01Å
674F96.4Very high95Very high0 Ų05.8 Ų5.80%03%0.031CC..Hα-helixtrans-60.8-29.7177.9-84.5-60.3000112.1R291 W500 F503 L585 L597 V601 M605 V670R291-F674 PolarHBondContact NH1-O 3.46Å; W500-F674 HydrophobicContact CB-CD1 4.48Å; W500-F674 HydrophobicContact CB-CD2 3.74Å; W500-F674 HydrophobicContact CB-CE2 3.85Å; W500-F674 HydrophobicContact CB-CG 4.07Å; W500-F674 HydrophobicContact CB-CZ 4.28Å; W500-F674 AromaticContact CD1-CD2 3.47Å; W500-F674 VanDerWaalsContact CD1-CD2 3.47Å; W500-F674 AromaticContact CD2-CD2 3.61Å; W500-F674 HydrophobicContact CD2-CD2 3.61Å; W500-F674 AromaticContact CD2-CE2 3.51Å; W500-F674 HydrophobicContact CD2-CE2 3.51Å; W500-F674 AromaticContact CE2-CD2 3.91Å; W500-F674 HydrophobicContact CE3-CD2 4.32Å; W500-F674 AromaticContact CE3-CE2 3.75Å; W500-F674 HydrophobicContact CE3-CE2 3.75Å; W500-F674 AromaticContact CG-CD2 3.31Å; W500-F674 HydrophobicContact CG-CD2 3.31Å; W500-F674 AromaticContact CG-CE2 3.58Å; W500-F674 HydrophobicContact CG-CE2 3.58Å; W500-F674 HydrophobicContact CG-CG 4.02Å; W500-F674 HydrophobicContact CG-CZ 4.47Å; W500-F674 HydrophobicContact CZ3-CE2 4.47Å; W500-F674 AromaticContact NE1-CD2 3.83Å; F503-F674 HydrophobicContact CB-CB 4.37Å; F503-F674 VanDerWaalsContact CB-O 3.27Å; F503-F674 WeakPolarHBondContact CB-O 3.31Å; L585-F674 HydrophobicContact CD2-CE2 3.97Å; L585-F674 HydrophobicContact CD2-CZ 3.75Å; L597-F674 HydrophobicContact CD2-CE1 3.99Å; L597-F674 HydrophobicContact CD2-CZ 4.05Å; V601-F674 HydrophobicContact CG2-CE1 3.75Å; V601-F674 HydrophobicContact CG2-CZ 3.99Å; M605-F674 HydrophobicContact CE-CD1 4.24Å; M605-F674 HydrophobicContact SD-CD1 3.84Å; M605-F674 HydrophobicContact SD-CE1 4.14Å; V670-F674 HydrophobicContact CG1-CD2 3.61Å; V670-F674 HydrophobicContact CG1-CE2 3.46Å; V670-F674 VanDerWaalsContact CG1-CE2 3.46Å; V670-F674 WeakPolarHBondContact O-CD2 3.46Å; V670-F674 PolarHBondContact O-N 3.18Å
675Y93.4Very high95.5Very high18 Ų184.4 Ų4.47%0.0712%0.024CC..Hα-helixtrans-87.8-47.7179.2-168.1-100.6000115.6R291 F479 T480 T483 R484 I487 F503 D671 C672 F673R291-Y675 VanDerWaalsContact CZ-O 3.24Å; R291-Y675 PolarHBondContact NH1-O 3.46Å; R291-Y675 PolarHBondContact NH2-O 3.26Å; F479-Y675 HydrophobicContact CD1-CE2 4.25Å; T480-Y675 PolarHBondContact O-OH 2.83Å; T483-Y675 HydrophobicContact CG2-CE2 3.76Å; R484-Y675 HydrophobicContact CB-CD1 4.21Å; R484-Y675 HydrophobicContact CB-CE1 3.62Å; R484-Y675 HydrophobicContact CG-CD1 4.14Å; R484-Y675 HydrophobicContact CG-CE1 3.96Å; I487-Y675 HydrophobicContact CD1-CD1 4.03Å; I487-Y675 HydrophobicContact CD1-CD2 3.23Å; I487-Y675 HydrophobicContact CD1-CE2 3.85Å; I487-Y675 HydrophobicContact CD1-CG 3.33Å; F503-Y675 AromaticContact CD1-CD2 3.61Å; F503-Y675 HydrophobicContact CD1-CD2 3.61Å; F503-Y675 HydrophobicContact CD1-CE2 4.02Å; F503-Y675 HydrophobicContact CD2-CD2 4.14Å; F503-Y675 AromaticContact CE1-CD2 3.54Å; F503-Y675 HydrophobicContact CE1-CD2 3.54Å; F503-Y675 AromaticContact CE1-CE2 3.69Å; F503-Y675 HydrophobicContact CE1-CE2 3.69Å; F503-Y675 HydrophobicContact CE2-CD2 4.09Å; F503-Y675 AromaticContact CG-CD2 3.93Å; F503-Y675 HydrophobicContact CG-CD2 3.93Å; F503-Y675 AromaticContact CZ-CD2 3.81Å; F503-Y675 HydrophobicContact CZ-CD2 3.81Å; F503-Y675 HydrophobicContact CZ-CE2 4.18Å; D671-Y675 PolarHBondContact O-N 2.82Å; C672-Y675 PolarHBondContact O-N 2.84Å; F673-Y675 PolarHBondContact O-N 3.39Å
676D91.9Very high95.7Very high9 Ų94.4 Ų4.45%0.0482%0.024CC..Hα-helixtrans-105.7-7.4-174.8-92-63.8000113.9R291 R484 C672 K679 A680 Y753R291-D676 PolarHBondContact NH2-O 2.81Å; R484-D676 WeakPolarHBondContact CD-OD2 3.35Å; R484-D676 IonicContact CZ-OD1 2.73Å; R484-D676 IonicContact CZ-OD2 3.22Å; R484-D676 IonicContact NE-OD1 2.69Å; R484-D676 IonicContact NE-OD2 2.66Å; R484-D676 PolarHBondContact NE-OD2 2.85Å; R484-D676 IonicContact NH2-OD1 2.94Å; R484-D676 PolarHBondContact NH2-OD1 3.3Å; C672-D676 PolarHBondContact O-N 2.75Å; D676-K679 WeakPolarHBondContact OD1-CE 3.12Å; D676-K679 IonicContact OD1-NZ 3.6Å; D676-K679 PolarHBondContact OD1-NZ 2.85Å; D676-A680 HydrophobicContact CB-CB 4.15Å; D676-Y753 WeakPolarHBondContact CB-OH 3.11Å; D676-Y753 WeakPolarHBondContact OD2-CE1 3.43Å; D676-Y753 PolarHBondContact OD2-OH 3.21Å
677G93.5Very high95.9Very high7 Ų74.6 Ų4.67%0.0723%0.026CC..THydrogen-bonded Turntrans75.1-156.6-179.900000112.9F673 K679 A680F673-G677 WeakPolarHBondContact O-CA 3.49Å; F673-G677 PolarHBondContact O-N 2.7Å; G677-K679 PolarHBondContact O-N 2.96Å; G677-A680 PolarHBondContact O-N 3.33Å
678I94.4Very high96Very high16 Ų164.6 Ų4.68%0.0823%0.026CC..Hα-helixtrans-55.2-27.7-178.5-170.257.7000113.9L606 Y609 D620 A680 I681 L682 V764L606-I678 HydrophobicContact CD2-CB 4.34Å; L606-I678 HydrophobicContact CD2-CD1 4.11Å; Y609-I678 HydrophobicContact CE1-CD1 4.46Å; Y609-I678 WeakPolarHBondContact OH-CD1 3.44Å; Y609-I678 WeakPolarHBondContact OH-CG1 3.46Å; D620-I678 HydrophobicContact CB-CG1 4.31Å; I678-A680 VanDerWaalsContact C-N 3.25Å; I678-A680 PolarHBondContact O-N 2.82Å; I678-I681 HydrophobicContact CD1-CB 3.99Å; I678-I681 HydrophobicContact CD1-CG1 4.3Å; I678-I681 HydrophobicContact CD1-CG2 4.21Å; I678-I681 WeakPolarHBondContact O-CB 3.5Å; I678-I681 PolarHBondContact O-N 3.25Å; I678-L682 HydrophobicContact CG1-CD1 4.34Å; I678-L682 HydrophobicContact CG1-CG 4.36Å; I678-L682 PolarHBondContact O-N 3.08Å; I678-V764 HydrophobicContact CG2-CG1 4.17Å
679K94.1Very high96Very high13 Ų134.5 Ų4.56%0.0573%0.025CC..Hα-helixtrans-53.2-41175.5-177.3-169.867.5-167.50112.4D676 G677 I681 L682 Q683 S761 V764D676-K679 WeakPolarHBondContact OD1-CE 3.12Å; D676-K679 IonicContact OD1-NZ 3.6Å; D676-K679 PolarHBondContact OD1-NZ 2.85Å; G677-K679 PolarHBondContact O-N 2.96Å; K679-I681 VanDerWaalsContact C-N 3.31Å; K679-I681 PolarHBondContact O-N 3.15Å; K679-L682 PolarHBondContact O-N 3.25Å; K679-Q683 HydrophobicContact CG-CG 4.38Å; K679-Q683 WeakPolarHBondContact O-CB 3.25Å; K679-Q683 WeakPolarHBondContact O-CG 3.45Å; K679-Q683 PolarHBondContact O-N 2.93Å; K679-Q683 PolarHBondContact O-OE1 2.96Å; K679-S761 PolarHBondContact NZ-OG 2.99Å; K679-V764 HydrophobicContact CB-CG2 4.37Å; K679-V764 HydrophobicContact CG-CG2 4.2Å
680A95.6Very high95.9Very high6 Ų66.2 Ų6.25%0.053%0.034CC..Hα-helixtrans-64.4-36.717900000112.2C672 D676 G677 I678 L684C672-A680 HydrophobicContact CB-CB 4.06Å; D676-A680 HydrophobicContact CB-CB 4.15Å; G677-A680 PolarHBondContact O-N 3.33Å; I678-A680 VanDerWaalsContact C-N 3.25Å; I678-A680 PolarHBondContact O-N 2.82Å; A680-L684 WeakPolarHBondContact O-CB 3.34Å; A680-L684 PolarHBondContact O-N 2.87Å
681I97.3Very high95.8Very high0 Ų011.5 Ų11.50%06%0.055CC..Hα-helixtrans-69.6-42.3177.8-55.3-56.9000110.8F653 L656 F657 V669 F673 I678 K679 L684 G685F653-I681 HydrophobicContact CD1-CG2 3.48Å; F653-I681 VanDerWaalsContact CD1-CG2 3.48Å; F653-I681 HydrophobicContact CE1-CG2 3.86Å; F653-I681 HydrophobicContact CG-CG2 4.45Å; L656-I681 HydrophobicContact CB-CD1 4.33Å; L656-I681 HydrophobicContact CD2-CD1 3.87Å; L656-I681 HydrophobicContact CD2-CG1 3.79Å; F657-I681 HydrophobicContact CD2-CD1 4.44Å; F657-I681 HydrophobicContact CD2-CG2 4.14Å; F657-I681 HydrophobicContact CE2-CG2 3.73Å; V669-I681 HydrophobicContact CG1-CD1 3.62Å; F673-I681 HydrophobicContact CB-CD1 4.04Å; F673-I681 HydrophobicContact CB-CG1 4.41Å; F673-I681 HydrophobicContact CD2-CD1 4.48Å; F673-I681 HydrophobicContact CD2-CG1 4.01Å; I678-I681 HydrophobicContact CD1-CB 3.99Å; I678-I681 HydrophobicContact CD1-CG1 4.3Å; I678-I681 HydrophobicContact CD1-CG2 4.21Å; I678-I681 WeakPolarHBondContact O-CB 3.5Å; I678-I681 PolarHBondContact O-N 3.25Å; K679-I681 VanDerWaalsContact C-N 3.31Å; K679-I681 PolarHBondContact O-N 3.15Å; I681-L684 PolarHBondContact O-N 3.27Å; I681-G685 PolarHBondContact O-N 2.81Å
682L96.8Very high95.6Very high2 Ų212.1 Ų12.11%0.016%0.059CC..Hα-helixtrans-63.5-45174.7-67.3168.4000111.5V623 F624 L627 F653 I678 K679 L684 G685 L686 V764V623-L682 HydrophobicContact CG1-CD1 4.03Å; F624-L682 HydrophobicContact CB-CD2 3.81Å; F624-L682 HydrophobicContact CD2-CD2 3.91Å; F624-L682 HydrophobicContact CG-CD2 4.24Å; L627-L682 HydrophobicContact CD1-CB 4.1Å; L627-L682 HydrophobicContact CD1-CD1 4.2Å; L627-L682 HydrophobicContact CD1-CD2 4.45Å; L627-L682 HydrophobicContact CD1-CG 4.49Å; F653-L682 HydrophobicContact CE1-CD2 4.47Å; F653-L682 HydrophobicContact CE2-CD2 4.14Å; F653-L682 HydrophobicContact CZ-CD2 3.79Å; I678-L682 HydrophobicContact CG1-CD1 4.34Å; I678-L682 HydrophobicContact CG1-CG 4.36Å; I678-L682 PolarHBondContact O-N 3.08Å; K679-L682 PolarHBondContact O-N 3.25Å; L682-L684 PolarHBondContact O-N 2.58Å; L682-G685 PolarHBondContact O-N 2.69Å; L682-L686 WeakPolarHBondContact O-CG 3.35Å; L682-L686 PolarHBondContact O-N 3.33Å; L682-V764 HydrophobicContact CD1-CG1 3.8Å
683Q96.6Very high95.4Very high2 Ų213 Ų131%0.0096%0.062CC..Hα-helixtrans-60.8-43.5176.3-72.7171.1-44.700111.9K679 L686 A687 A752 Y756 F759K679-Q683 HydrophobicContact CG-CG 4.38Å; K679-Q683 WeakPolarHBondContact O-CB 3.25Å; K679-Q683 WeakPolarHBondContact O-CG 3.45Å; K679-Q683 PolarHBondContact O-N 2.93Å; K679-Q683 PolarHBondContact O-OE1 2.96Å; Q683-L686 PolarHBondContact O-N 2.64Å; Q683-A687 PolarHBondContact O-N 2.7Å; Q683-A687 VanDerWaalsContact O-N 3.14Å; Q683-A752 HydrophobicContact CB-CB 4.44Å; Q683-Y756 PolarHBondContact NE2-O 3.18Å; Q683-F759 HydrophobicContact CG-CD2 4.05Å
684L97.5Very high95.2Very high6 Ų621.4 Ų21.43%0.03110%0.102CC..Hα-helixtrans-64.9-44.1175.2-17862.7000111.6F657 V669 A680 I681 L682 L686 A687 V688 L748F657-L684 HydrophobicContact CD2-CD2 3.87Å; F657-L684 HydrophobicContact CE2-CB 4.34Å; F657-L684 HydrophobicContact CE2-CD2 3.91Å; F657-L684 HydrophobicContact CE2-CG 4.21Å; F657-L684 HydrophobicContact CG-CD2 4.24Å; F657-L684 HydrophobicContact CZ-CD2 4.33Å; F657-L684 HydrophobicContact CZ-CG 4.28Å; V669-L684 HydrophobicContact CB-CD2 4.17Å; V669-L684 HydrophobicContact CG1-CD2 3.53Å; V669-L684 HydrophobicContact CG2-CD2 3.49Å; V669-L684 VanDerWaalsContact CG2-CD2 3.49Å; A680-L684 WeakPolarHBondContact O-CB 3.34Å; A680-L684 PolarHBondContact O-N 2.87Å; I681-L684 PolarHBondContact O-N 3.27Å; L682-L684 PolarHBondContact O-N 2.58Å; L684-L686 VanDerWaalsContact C-N 3.3Å; L684-L686 PolarHBondContact O-N 3.19Å; L684-A687 WeakPolarHBondContact O-CB 3.31Å; L684-A687 PolarHBondContact O-N 3.01Å; L684-A687 VanDerWaalsContact O-N 3.11Å; L684-V688 HydrophobicContact CD1-CG2 4.47Å; L684-V688 HydrophobicContact CG-CG2 4.46Å; L684-V688 WeakPolarHBondContact O-CG2 3.38Å; L684-V688 PolarHBondContact O-N 3.43Å; L684-L748 HydrophobicContact CD1-CD2 3.86Å; L684-L748 HydrophobicContact CD1-CG 3.79Å
685G96.8Very high95.1Very high0 Ų023.1 Ų23.10%012%0.116CC..Hα-helixtrans-56.6-42.3176.500000112.8I681 L682 V688 L689I681-G685 PolarHBondContact O-N 2.81Å; L682-G685 PolarHBondContact O-N 2.69Å; G685-V688 PolarHBondContact O-N 2.91Å; G685-L689 WeakPolarHBondContact O-CG 3.24Å; G685-L689 PolarHBondContact O-N 3.42Å; G685-L689 VanDerWaalsContact O-N 3.12Å
686L96.6Very high95Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-64.4-43.4175-68.5172.4000111.6F624 L627 I628 L632 L682 Q683 L684 V688 L689 D690 Y756 F759F624-L686 HydrophobicContact CD2-CD2 4.41Å; F624-L686 HydrophobicContact CE2-CD2 3.93Å; F624-L686 HydrophobicContact CE2-CG 3.96Å; L627-L686 HydrophobicContact CB-CD1 4.13Å; L627-L686 HydrophobicContact CB-CD2 4.13Å; I628-L686 HydrophobicContact CG1-CD2 4.01Å; L632-L686 HydrophobicContact CD1-CD2 3.99Å; L632-L686 HydrophobicContact CG-CD2 4.42Å; L682-L686 WeakPolarHBondContact O-CG 3.35Å; L682-L686 PolarHBondContact O-N 3.33Å; Q683-L686 PolarHBondContact O-N 2.64Å; L684-L686 VanDerWaalsContact C-N 3.3Å; L684-L686 PolarHBondContact O-N 3.19Å; L686-V688 VanDerWaalsContact C-N 3.31Å; L686-V688 PolarHBondContact O-N 3.46Å; L686-L689 PolarHBondContact O-N 2.99Å; L686-D690 WeakPolarHBondContact O-CB 3.17Å; L686-D690 PolarHBondContact O-N 3.44Å; L686-Y756 HydrophobicContact CB-CD1 4.32Å; L686-Y756 HydrophobicContact CB-CD2 3.91Å; L686-Y756 HydrophobicContact CB-CE1 4.08Å; L686-Y756 HydrophobicContact CB-CE2 3.65Å; L686-Y756 HydrophobicContact CB-CG 4.26Å; L686-Y756 HydrophobicContact CD1-CD1 3.73Å; L686-Y756 HydrophobicContact CD1-CD2 4.45Å; L686-Y756 HydrophobicContact CD1-CE1 4.03Å; L686-Y756 HydrophobicContact CD1-CG 3.98Å; L686-F759 HydrophobicContact CD1-CE2 3.62Å; L686-F759 HydrophobicContact CD1-CZ 4.01Å
687A96.9Very high95Very high5 Ų524.1 Ų24.14%0.04112%0.122CC..Hα-helixtrans-62.3-37177.100000112.6Q683 L684 Y691 L748 A752 Y756Q683-A687 PolarHBondContact O-N 2.7Å; Q683-A687 VanDerWaalsContact O-N 3.14Å; L684-A687 WeakPolarHBondContact O-CB 3.31Å; L684-A687 PolarHBondContact O-N 3.01Å; L684-A687 VanDerWaalsContact O-N 3.11Å; A687-Y691 VanDerWaalsContact O-CB 3.29Å; A687-Y691 WeakPolarHBondContact O-CB 3.34Å; A687-Y691 PolarHBondContact O-N 2.86Å; A687-L748 HydrophobicContact CB-CD1 4.13Å; A687-A752 HydrophobicContact CB-CB 3.73Å; A687-Y756 HydrophobicContact CB-CE2 4.15Å
688V96.3Very high94.9Very high1 Ų127.1 Ų27.11%0.00615%0.146CC..Hα-helixtrans-64-46.5174.6171.40000111.7W652 F657 L684 G685 L686 N692 L709 F712 F713 L748W652-V688 HydrophobicContact CH2-CG1 4.43Å; F657-V688 HydrophobicContact CE1-CG2 4.49Å; L684-V688 HydrophobicContact CD1-CG2 4.47Å; L684-V688 HydrophobicContact CG-CG2 4.46Å; L684-V688 WeakPolarHBondContact O-CG2 3.38Å; L684-V688 PolarHBondContact O-N 3.43Å; G685-V688 PolarHBondContact O-N 2.91Å; L686-V688 VanDerWaalsContact C-N 3.31Å; L686-V688 PolarHBondContact O-N 3.46Å; V688-N692 PolarHBondContact O-N 2.72Å; V688-N692 PolarHBondContact O-ND2 3.12Å; V688-L709 HydrophobicContact CG1-CD2 4.12Å; V688-F712 HydrophobicContact CB-CE1 4.27Å; V688-F712 HydrophobicContact CG1-CD1 3.97Å; V688-F712 HydrophobicContact CG1-CE1 3.81Å; V688-F712 HydrophobicContact CG2-CE1 3.88Å; V688-F712 HydrophobicContact CG2-CZ 4.44Å; V688-F713 HydrophobicContact CG1-CE1 3.9Å; V688-F713 HydrophobicContact CG1-CZ 3.78Å; V688-F713 HydrophobicContact CG2-CE1 4.07Å; V688-L748 HydrophobicContact CG2-CD2 4.33Å
689L95.4Very high94.7Very high0 Ų027.5 Ų27.50%015%0.15CC..Hα-helixtrans-67.1-40.9178.4-66.5-177000112.2F624 I628 L632 L635 F645 W652 G685 L686 N692 M693 L696 L709F624-L689 HydrophobicContact CE1-CD1 3.86Å; F624-L689 HydrophobicContact CZ-CD1 3.64Å; F624-L689 HydrophobicContact CZ-CG 4.31Å; I628-L689 HydrophobicContact CD1-CD1 3.58Å; I628-L689 HydrophobicContact CG1-CD1 3.83Å; L632-L689 HydrophobicContact CD1-CB 3.79Å; L632-L689 HydrophobicContact CD1-CD1 4.44Å; L635-L689 HydrophobicContact CD1-CB 4.15Å; F645-L689 HydrophobicContact CD1-CD1 3.9Å; F645-L689 HydrophobicContact CD1-CD2 3.67Å; F645-L689 HydrophobicContact CD1-CG 4.46Å; F645-L689 HydrophobicContact CE1-CD1 4.31Å; F645-L689 HydrophobicContact CE1-CD2 3.68Å; F645-L689 HydrophobicContact CG-CD1 4.39Å; W652-L689 HydrophobicContact CH2-CD2 4.04Å; G685-L689 WeakPolarHBondContact O-CG 3.24Å; G685-L689 PolarHBondContact O-N 3.42Å; G685-L689 VanDerWaalsContact O-N 3.12Å; L686-L689 PolarHBondContact O-N 2.99Å; L689-N692 CarbonylContact O-C 3.38Å; L689-N692 PolarHBondContact O-N 3.36Å; L689-M693 PolarHBondContact O-N 3.11Å; L689-L696 HydrophobicContact CD2-CD1 4.05Å; L689-L709 HydrophobicContact CD2-CD2 4.15Å
690D94.9Very high94.3Very high40 Ų4033.6 Ų33.621%0.21418%0.183CC..Hα-helixtrans-64.6-42.2178.2-179.455.2000112.4L632 L686 N692 M693 K755 Y756L632-D690 HydrophobicContact CD2-CB 3.81Å; L686-D690 WeakPolarHBondContact O-CB 3.17Å; L686-D690 PolarHBondContact O-N 3.44Å; D690-N692 VanDerWaalsContact C-N 3.26Å; D690-N692 PolarHBondContact O-N 3.12Å; D690-M693 VanDerWaalsContact O-CB 3.24Å; D690-M693 WeakPolarHBondContact O-CB 3.48Å; D690-M693 PolarHBondContact O-N 3.32Å; D690-M693 WeakPolarHBondContact OD1-CE 3.24Å; D690-K755 IonicContact OD1-NZ 2.71Å; D690-K755 PolarHBondContact OD1-NZ 2.87Å; D690-K755 WeakPolarHBondContact OD2-CD 3.47Å; D690-K755 WeakPolarHBondContact OD2-CE 3.42Å; D690-K755 IonicContact OD2-NZ 2.77Å; D690-K755 PolarHBondContact OD2-NZ 2.93Å; D690-Y756 WeakPolarHBondContact CB-OH 3.23Å; D690-Y756 VanDerWaalsContact CG-OH 3.3Å; D690-Y756 PolarHBondContact OD2-OH 3.43Å
691Y94.8Very high94Very high111 Ų11137.6 Ų37.644%0.43520%0.204SC..Hα-helixtrans-60.6-36.8173.7-168.8-79.1000112.2A687 F712 V743A687-Y691 VanDerWaalsContact O-CB 3.29Å; A687-Y691 WeakPolarHBondContact O-CB 3.34Å; A687-Y691 PolarHBondContact O-N 2.86Å; Y691-F712 AromaticContact CD1-CD2 3.6Å; Y691-F712 HydrophobicContact CD1-CD2 3.6Å; Y691-F712 AromaticContact CD1-CE2 3.28Å; Y691-F712 HydrophobicContact CD1-CE2 3.28Å; Y691-F712 HydrophobicContact CD1-CZ 4.37Å; Y691-F712 HydrophobicContact CD2-CE2 4.36Å; Y691-F712 AromaticContact CE1-CD2 3.91Å; Y691-F712 HydrophobicContact CE1-CD2 3.91Å; Y691-F712 AromaticContact CE1-CE2 3.69Å; Y691-F712 HydrophobicContact CE1-CE2 3.69Å; Y691-F712 HydrophobicContact CG-CD2 4.4Å; Y691-F712 AromaticContact CG-CE2 3.67Å; Y691-F712 HydrophobicContact CG-CE2 3.67Å; Y691-F712 HydrophobicContact CG-CZ 4.4Å; Y691-V743 HydrophobicContact CE1-CG2 4.1Å; Y691-V743 HydrophobicContact CE2-CG2 4.28Å
692N94Very high93.5Very high15 Ų1542.5 Ų42.58%0.0823%0.23CC..THydrogen-bonded Turntrans-93.48.2-178.5-68-79.5000113.4V688 L689 D690 E694 A695 L696 I708 F712V688-N692 PolarHBondContact O-N 2.72Å; V688-N692 PolarHBondContact O-ND2 3.12Å; L689-N692 CarbonylContact O-C 3.38Å; L689-N692 PolarHBondContact O-N 3.36Å; D690-N692 VanDerWaalsContact C-N 3.26Å; D690-N692 PolarHBondContact O-N 3.12Å; N692-E694 PolarHBondContact O-N 2.85Å; N692-A695 PolarHBondContact O-N 3.5Å; N692-A695 VanDerWaalsContact O-N 3.07Å; N692-L696 HydrophobicContact CB-CD1 3.92Å; N692-L696 HydrophobicContact CB-CG 4.09Å; N692-L696 WeakPolarHBondContact O-CG 3.2Å; N692-L696 PolarHBondContact O-N 3.3Å; N692-I708 HydrophobicContact CB-CG2 4.28Å; N692-F712 VanDerWaalsContact ND2-CD2 3.25Å; N692-F712 WeakPolarHBondContact ND2-CD2 3.41Å; N692-F712 WeakPolarHBondContact ND2-CG 3.38Å; N692-F712 WeakPolarHBondContact OD1-CB 3.42Å
693M93.6Very high93.2Very high21 Ų2145.5 Ų45.510%0.10326%0.255CS..Hα-helixtrans-54.9-47.5-168.2-176.3179.6-60.300113.6L632 Q634 L635 L689 D690 A695 L696 I697L632-M693 HydrophobicContact CB-CE 4.44Å; L632-M693 HydrophobicContact CD2-CE 3.66Å; Q634-M693 HydrophobicContact CB-SD 3.96Å; Q634-M693 HydrophobicContact CG-SD 4.46Å; Q634-M693 PolarHBondContact NE2-SD 2.92Å; Q634-M693 VanDerWaalsContact NE2-SD 3.41Å; L635-M693 HydrophobicContact CD2-CG 4.26Å; L635-M693 HydrophobicContact CG-CG 4.3Å; L689-M693 PolarHBondContact O-N 3.11Å; D690-M693 VanDerWaalsContact O-CB 3.24Å; D690-M693 WeakPolarHBondContact O-CB 3.48Å; D690-M693 PolarHBondContact O-N 3.32Å; D690-M693 WeakPolarHBondContact OD1-CE 3.24Å; M693-A695 VanDerWaalsContact C-N 3.32Å; M693-A695 PolarHBondContact O-N 3.47Å; M693-L696 PolarHBondContact O-N 3.48Å; M693-I697 HydrophobicContact CG-CD1 3.69Å; M693-I697 HydrophobicContact CG-CG1 4.38Å; M693-I697 WeakPolarHBondContact O-CB 3.32Å; M693-I697 VanDerWaalsContact O-CG1 3.29Å; M693-I697 WeakPolarHBondContact O-CG1 3.34Å; M693-I697 PolarHBondContact O-N 2.98Å; M693-I697 HydrophobicContact SD-CD1 4.43Å
694E93.4Very high93Very high178 Ų17849.1 Ų49.183%0.83227%0.272SS*.Hα-helixtrans-62.7-38.7179.9-64.9-173.1171.300112.5N692 A698N692-E694 PolarHBondContact O-N 2.85Å; E694-A698 WeakPolarHBondContact O-CB 3.04Å; E694-A698 PolarHBondContact O-N 3.45Å
695A92.8Very high92.7Very high35 Ų3548.9 Ų48.929%0.28927%0.271SS..Hα-helixtrans-74.2-38.8179.800000111.8N692 M693 A698 C699 I708N692-A695 PolarHBondContact O-N 3.5Å; N692-A695 VanDerWaalsContact O-N 3.07Å; M693-A695 VanDerWaalsContact C-N 3.32Å; M693-A695 PolarHBondContact O-N 3.47Å; A695-A698 PolarHBondContact O-N 3.46Å; A695-C699 PolarHBondContact O-N 3.19Å; A695-I708 HydrophobicContact CB-CD1 4.14Å; A695-I708 HydrophobicContact CB-CG1 4.49Å; A695-I708 HydrophobicContact CB-CG2 3.84Å; A695-I708 WeakPolarHBondContact O-CD1 3.5Å
696L92.6Very high92.4Very high0 Ų051.2 Ų51.20%029%0.285CS..Hα-helixtrans-65.6-46.6175.2-69.7169.8000111.1L635 M639 F645 L689 N692 M693 A698 C699 A705 I708 L709L635-L696 HydrophobicContact CD2-CB 3.79Å; L635-L696 HydrophobicContact CD2-CD1 4.29Å; M639-L696 HydrophobicContact CE-CB 4.08Å; M639-L696 WeakPolarHBondContact CE-O 3.46Å; F645-L696 HydrophobicContact CE1-CD1 4.23Å; L689-L696 HydrophobicContact CD2-CD1 4.05Å; N692-L696 HydrophobicContact CB-CD1 3.92Å; N692-L696 HydrophobicContact CB-CG 4.09Å; N692-L696 WeakPolarHBondContact O-CG 3.2Å; N692-L696 PolarHBondContact O-N 3.3Å; M693-L696 PolarHBondContact O-N 3.48Å; L696-A698 PolarHBondContact O-N 2.82Å; L696-C699 PolarHBondContact O-N 2.87Å; L696-C699 VanDerWaalsContact O-N 3.13Å; L696-C699 PolarHBondContact O-SG 2.81Å; L696-A705 HydrophobicContact CD2-CB 4.01Å; L696-I708 HydrophobicContact CD2-CG2 4.46Å; L696-L709 HydrophobicContact CD2-CD1 4.46Å; L696-L709 HydrophobicContact CD2-CG 4.29Å
697I91.3Very high92.3Very high48 Ų4855.6 Ų55.625%0.24631%0.312CS..Hα-helixtrans-60.1-28.8176.2-70.1173000111.9Q634 L635 H638 M693Q634-I697 HydrophobicContact CB-CD1 4.03Å; L635-I697 HydrophobicContact CD2-CG1 3.92Å; H638-I697 HydrophobicContact CB-CG2 4.37Å; M693-I697 HydrophobicContact CG-CD1 3.69Å; M693-I697 HydrophobicContact CG-CG1 4.38Å; M693-I697 WeakPolarHBondContact O-CB 3.32Å; M693-I697 VanDerWaalsContact O-CG1 3.29Å; M693-I697 WeakPolarHBondContact O-CG1 3.34Å; M693-I697 PolarHBondContact O-N 2.98Å; M693-I697 HydrophobicContact SD-CD1 4.43Å
698A91.4Very high92.1Very high71 Ų7156.3 Ų56.359%0.58732%0.315SS*.THydrogen-bonded Turntrans-87.8-6.1179.800000115E694 A695 L696E694-A698 WeakPolarHBondContact O-CB 3.04Å; E694-A698 PolarHBondContact O-N 3.45Å; A695-A698 PolarHBondContact O-N 3.46Å; L696-A698 PolarHBondContact O-N 2.82Å
699C90Very high92Very high23 Ų2356.2 Ų56.216%0.15531%0.314CS..  trans-78.5152.1-177.8790000112.4M639 A695 L696 E704 I708M639-C699 WeakPolarHBondContact CE-SG 3.2Å; A695-C699 PolarHBondContact O-N 3.19Å; L696-C699 PolarHBondContact O-N 2.87Å; L696-C699 VanDerWaalsContact O-N 3.13Å; L696-C699 PolarHBondContact O-SG 2.81Å; C699-E704 WeakPolarHBondContact CA-OE2 3.45Å; C699-E704 HydrophobicContact CB-CB 4.07Å; C699-E704 HydrophobicContact CB-CG 3.82Å; C699-I708 HydrophobicContact CB-CD1 3.89Å
700N86.7Confident91.9Very high142 Ų14259.8 Ų59.876%0.75933%0.333SS*.SBendtrans-96.1-23.9-173.5-58.3-90.7000112.8E704N700-E704 PolarHBondContact N-OE2 3Å; N700-E704 PolarHBondContact ND2-OE2 2.6Å
701D87.8Confident91.8Very high90 Ų9064.5 Ų64.548%0.48135%0.348SS..SBendtrans-155.2167.9178.963.852.3000112.8A703 E704 A705D701-A703 PolarHBondContact O-N 3.09Å; D701-A703 WeakPolarHBondContact OD1-CA 3.12Å; D701-A703 WeakPolarHBondContact OD1-CB 3.18Å; D701-A703 PolarHBondContact OD1-N 3.32Å; D701-E704 PolarHBondContact O-N 2.91Å; D701-E704 PolarHBondContact OD1-N 3.04Å; D701-A705 PolarHBondContact O-N 2.74Å; D701-A705 VanDerWaalsContact O-N 3.09Å
702D88.4Confident91.8Very high102 Ų10259.5 Ų59.555%0.54533%0.328SS..Hα-helixtrans-56.6-30178.8-65.18000113.8F644 A705 V706F644-D702 HydrophobicContact CD2-CB 3.56Å; F644-D702 VanDerWaalsContact CD2-CG 3.47Å; F644-D702 HydrophobicContact CE2-CB 3.75Å; F644-D702 WeakPolarHBondContact CE2-O 3.42Å; D702-A705 PolarHBondContact O-N 2.65Å; D702-V706 WeakPolarHBondContact O-CG2 3.28Å; D702-V706 PolarHBondContact O-N 2.99Å
703A89.8Confident91.8Very high65 Ų6558.9 Ų58.954%0.53733%0.325SS..Hα-helixtrans-77.3-36.6-178.100000111.4D701 T707D701-A703 PolarHBondContact O-N 3.09Å; D701-A703 WeakPolarHBondContact OD1-CA 3.12Å; D701-A703 WeakPolarHBondContact OD1-CB 3.18Å; D701-A703 PolarHBondContact OD1-N 3.32Å; A703-T707 WeakPolarHBondContact O-CB 3.01Å; A703-T707 PolarHBondContact O-N 3.06Å; A703-T707 PolarHBondContact O-OG1 3.5Å
704E91.6Very high91.6Very high79 Ų7962.9 Ų62.937%0.36935%0.347SS..Hα-helixtrans-62.9-43.9167.4-173171.9-155.200110.8C699 N700 D701 V706 T707 I708C699-E704 WeakPolarHBondContact CA-OE2 3.45Å; C699-E704 HydrophobicContact CB-CB 4.07Å; C699-E704 HydrophobicContact CB-CG 3.82Å; N700-E704 PolarHBondContact N-OE2 3Å; N700-E704 PolarHBondContact ND2-OE2 2.6Å; D701-E704 PolarHBondContact O-N 2.91Å; D701-E704 PolarHBondContact OD1-N 3.04Å; E704-V706 PolarHBondContact O-N 3.49Å; E704-T707 WeakPolarHBondContact O-CB 3.19Å; E704-T707 PolarHBondContact O-N 3.35Å; E704-T707 VanDerWaalsContact O-N 3.11Å; E704-I708 HydrophobicContact CG-CD1 4.15Å; E704-I708 WeakPolarHBondContact O-CG1 3.22Å; E704-I708 PolarHBondContact O-N 3.35Å
705A91.1Very high91.6Very high0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-59.7-45175.800000113.1F644 L696 D701 D702 T707 I708 L709F644-A705 HydrophobicContact CE1-CB 3.62Å; F644-A705 HydrophobicContact CE2-CB 4.08Å; F644-A705 HydrophobicContact CZ-CB 3.33Å; L696-A705 HydrophobicContact CD2-CB 4.01Å; D701-A705 PolarHBondContact O-N 2.74Å; D701-A705 VanDerWaalsContact O-N 3.09Å; D702-A705 PolarHBondContact O-N 2.65Å; A705-T707 VanDerWaalsContact C-N 3.3Å; A705-T707 PolarHBondContact O-N 3.27Å; A705-I708 PolarHBondContact O-N 3.13Å; A705-L709 WeakPolarHBondContact O-CG 3.4Å; A705-L709 PolarHBondContact O-N 3.35Å
706V91.9Very high91.6Very high50 Ų5053.9 Ų53.930%0.30330%0.301SS..Hα-helixtrans-60.1-40.8172.8166.60000111.3F644 D702 E704 L709 N710F644-V706 HydrophobicContact CE2-CG2 3.78Å; F644-V706 HydrophobicContact CZ-CG2 4.03Å; D702-V706 WeakPolarHBondContact O-CG2 3.28Å; D702-V706 PolarHBondContact O-N 2.99Å; E704-V706 PolarHBondContact O-N 3.49Å; V706-L709 PolarHBondContact O-N 3.14Å; V706-N710 WeakPolarHBondContact CG1-ND2 3.46Å; V706-N710 WeakPolarHBondContact O-CB 3.34Å; V706-N710 VanDerWaalsContact O-CG 3.27Å; V706-N710 PolarHBondContact O-N 3.28Å; V706-N710 PolarHBondContact O-ND2 3.29Å
707T93Very high91.5Very high91 Ų9156 Ų5656%0.55831%0.314SS*.Hα-helixtrans-65.5-39.6179-56.90000111.8A703 E704 A705 R711A703-T707 WeakPolarHBondContact O-CB 3.01Å; A703-T707 PolarHBondContact O-N 3.06Å; A703-T707 PolarHBondContact O-OG1 3.5Å; E704-T707 WeakPolarHBondContact O-CB 3.19Å; E704-T707 PolarHBondContact O-N 3.35Å; E704-T707 VanDerWaalsContact O-N 3.11Å; A705-T707 VanDerWaalsContact C-N 3.3Å; A705-T707 PolarHBondContact O-N 3.27Å; T707-R711 VanDerWaalsContact O-CB 3.3Å; T707-R711 WeakPolarHBondContact O-CB 3.11Å; T707-R711 PolarHBondContact O-N 3.23Å
708I93.8Very high91.3Very high20 Ų2054.4 Ų54.410%0.10331%0.306CS..Hα-helixtrans-60.6-49.5173.7-70.4160.4000110.5N692 A695 L696 C699 E704 A705 R711 F712N692-I708 HydrophobicContact CB-CG2 4.28Å; A695-I708 HydrophobicContact CB-CD1 4.14Å; A695-I708 HydrophobicContact CB-CG1 4.49Å; A695-I708 HydrophobicContact CB-CG2 3.84Å; A695-I708 WeakPolarHBondContact O-CD1 3.5Å; L696-I708 HydrophobicContact CD2-CG2 4.46Å; C699-I708 HydrophobicContact CB-CD1 3.89Å; E704-I708 HydrophobicContact CG-CD1 4.15Å; E704-I708 WeakPolarHBondContact O-CG1 3.22Å; E704-I708 PolarHBondContact O-N 3.35Å; A705-I708 PolarHBondContact O-N 3.13Å; I708-R711 PolarHBondContact O-N 2.92Å; I708-F712 PolarHBondContact O-N 2.9Å
709L94.5Very high90.9Very high0 Ų056.7 Ų56.70%030%0.303CS..Hα-helixtrans-65.4-44.4-178-69.5167.6000112.3F644 V648 W652 V688 L689 L696 A705 V706 F712 F713F644-L709 HydrophobicContact CE1-CD1 4.41Å; F644-L709 HydrophobicContact CZ-CD1 4.35Å; V648-L709 HydrophobicContact CG1-CD1 4.26Å; V648-L709 HydrophobicContact CG2-CD1 4.33Å; W652-L709 HydrophobicContact CH2-CD1 4.33Å; W652-L709 HydrophobicContact CH2-CD2 4.43Å; W652-L709 HydrophobicContact CZ2-CD1 4.16Å; V688-L709 HydrophobicContact CG1-CD2 4.12Å; L689-L709 HydrophobicContact CD2-CD2 4.15Å; L696-L709 HydrophobicContact CD2-CD1 4.46Å; L696-L709 HydrophobicContact CD2-CG 4.29Å; A705-L709 WeakPolarHBondContact O-CG 3.4Å; A705-L709 PolarHBondContact O-N 3.35Å; V706-L709 PolarHBondContact O-N 3.14Å; L709-F712 WeakPolarHBondContact O-CB 3.46Å; L709-F712 PolarHBondContact O-N 3.46Å; L709-F713 HydrophobicContact CB-CE2 4.33Å; L709-F713 WeakPolarHBondContact O-CD2 3.28Å; L709-F713 PolarHBondContact O-N 2.98Å
710N93.1Very high90.2Very high74 Ų7457.4 Ų57.440%0.39631%0.305SS..Hα-helixtrans-60.9-47.9175.8-71.1-16.5000111.3V706 F712 F713 D714V706-N710 WeakPolarHBondContact CG1-ND2 3.46Å; V706-N710 WeakPolarHBondContact O-CB 3.34Å; V706-N710 VanDerWaalsContact O-CG 3.27Å; V706-N710 PolarHBondContact O-N 3.28Å; V706-N710 PolarHBondContact O-ND2 3.29Å; N710-F712 PolarHBondContact O-N 3.25Å; N710-F713 PolarHBondContact O-N 3.35Å; N710-F713 VanDerWaalsContact O-N 3.07Å; N710-D714 VanDerWaalsContact O-CG 3.3Å; N710-D714 PolarHBondContact O-N 3.25Å
711R93Very high89.7Confident139 Ų13951 Ų5153%0.52527%0.272SS..Hα-helixtrans-61.7-31.6176.5-168.1-169.772.9169.4-1.5112.5T707 I708 S715T707-R711 VanDerWaalsContact O-CB 3.3Å; T707-R711 WeakPolarHBondContact O-CB 3.11Å; T707-R711 PolarHBondContact O-N 3.23Å; I708-R711 PolarHBondContact O-N 2.92Å; R711-S715 PolarHBondContact O-N 2.69Å
712F95.1Very high88.6Confident6 Ų648.1 Ų48.13%0.02626%0.258CS..Hα-helixtrans-66.2-50171.6167.3-91.4000110.9V688 Y691 N692 I708 L709 N710 D714 S715 V716 V743 L748V688-F712 HydrophobicContact CB-CE1 4.27Å; V688-F712 HydrophobicContact CG1-CD1 3.97Å; V688-F712 HydrophobicContact CG1-CE1 3.81Å; V688-F712 HydrophobicContact CG2-CE1 3.88Å; V688-F712 HydrophobicContact CG2-CZ 4.44Å; Y691-F712 AromaticContact CD1-CD2 3.6Å; Y691-F712 HydrophobicContact CD1-CD2 3.6Å; Y691-F712 AromaticContact CD1-CE2 3.28Å; Y691-F712 HydrophobicContact CD1-CE2 3.28Å; Y691-F712 HydrophobicContact CD1-CZ 4.37Å; Y691-F712 HydrophobicContact CD2-CE2 4.36Å; Y691-F712 AromaticContact CE1-CD2 3.91Å; Y691-F712 HydrophobicContact CE1-CD2 3.91Å; Y691-F712 AromaticContact CE1-CE2 3.69Å; Y691-F712 HydrophobicContact CE1-CE2 3.69Å; Y691-F712 HydrophobicContact CG-CD2 4.4Å; Y691-F712 AromaticContact CG-CE2 3.67Å; Y691-F712 HydrophobicContact CG-CE2 3.67Å; Y691-F712 HydrophobicContact CG-CZ 4.4Å; N692-F712 VanDerWaalsContact ND2-CD2 3.25Å; N692-F712 WeakPolarHBondContact ND2-CD2 3.41Å; N692-F712 WeakPolarHBondContact ND2-CG 3.38Å; N692-F712 WeakPolarHBondContact OD1-CB 3.42Å; I708-F712 PolarHBondContact O-N 2.9Å; L709-F712 WeakPolarHBondContact O-CB 3.46Å; L709-F712 PolarHBondContact O-N 3.46Å; N710-F712 PolarHBondContact O-N 3.25Å; F712-D714 VanDerWaalsContact C-N 3.34Å; F712-D714 PolarHBondContact O-N 3.43Å; F712-S715 WeakPolarHBondContact O-CA 3.24Å; F712-S715 WeakPolarHBondContact O-CB 3.34Å; F712-S715 PolarHBondContact O-N 3.05Å; F712-S715 PolarHBondContact O-OG 2.56Å; F712-V716 HydrophobicContact CD1-CG2 4.34Å; F712-V716 HydrophobicContact CE1-CG2 3.81Å; F712-V716 HydrophobicContact CZ-CG2 3.95Å; F712-V716 PolarHBondContact O-N 2.84Å; F712-V743 HydrophobicContact CD2-CG2 4.5Å; F712-V743 HydrophobicContact CE2-CG2 3.97Å; F712-L748 HydrophobicContact CE1-CD2 4.33Å; F712-L748 HydrophobicContact CZ-CD1 4.31Å; F712-L748 HydrophobicContact CZ-CD2 3.93Å
713F94.3Very high87.4Confident3 Ų343.9 Ų43.91%0.01324%0.235CC..Hα-helixtrans-61.3-39.8179.5-66.5-58.5000112.8W652 F657 V660 L661 V688 L709 N710 S715 V716W652-F713 HydrophobicContact CD2-CZ 4.23Å; W652-F713 AromaticContact CE2-CE2 3.77Å; W652-F713 AromaticContact CE2-CZ 3.61Å; W652-F713 HydrophobicContact CH2-CZ 4.39Å; W652-F713 AromaticContact CZ2-CE2 3.78Å; W652-F713 HydrophobicContact CZ2-CE2 3.78Å; W652-F713 AromaticContact CZ2-CZ 3.7Å; W652-F713 HydrophobicContact CZ2-CZ 3.7Å; W652-F713 AromaticContact NE1-CE2 3.58Å; W652-F713 AromaticContact NE1-CZ 3.72Å; F657-F713 AromaticContact CD1-CE1 3.9Å; F657-F713 HydrophobicContact CD1-CE1 3.9Å; F657-F713 HydrophobicContact CD1-CZ 4.19Å; F657-F713 AromaticContact CE1-CE1 3.9Å; F657-F713 HydrophobicContact CE1-CE1 3.9Å; F657-F713 AromaticContact CE1-CZ 3.95Å; F657-F713 HydrophobicContact CE1-CZ 3.95Å; V660-F713 HydrophobicContact CB-CD2 3.96Å; V660-F713 HydrophobicContact CB-CE2 4.24Å; V660-F713 HydrophobicContact CB-CG 4.14Å; V660-F713 HydrophobicContact CG2-CD1 4.16Å; V660-F713 HydrophobicContact CG2-CD2 4.21Å; V660-F713 HydrophobicContact CG2-CE1 4.07Å; V660-F713 HydrophobicContact CG2-CE2 4.14Å; V660-F713 HydrophobicContact CG2-CG 4.24Å; V660-F713 HydrophobicContact CG2-CZ 4.06Å; V660-F713 WeakPolarHBondContact O-CB 3.31Å; L661-F713 HydrophobicContact CD2-CD1 3.76Å; L661-F713 HydrophobicContact CG-CD1 4.33Å; V688-F713 HydrophobicContact CG1-CE1 3.9Å; V688-F713 HydrophobicContact CG1-CZ 3.78Å; V688-F713 HydrophobicContact CG2-CE1 4.07Å; L709-F713 HydrophobicContact CB-CE2 4.33Å; L709-F713 WeakPolarHBondContact O-CD2 3.28Å; L709-F713 PolarHBondContact O-N 2.98Å; N710-F713 PolarHBondContact O-N 3.35Å; N710-F713 VanDerWaalsContact O-N 3.07Å; F713-S715 PolarHBondContact O-N 3.15Å; F713-V716 PolarHBondContact O-N 3.08Å; F713-V716 VanDerWaalsContact O-N 3.07Å
714D89.4Confident85.9Confident105 Ų10543.4 Ų43.456%0.56123%0.226SC*.Hα-helixtrans-57.8-25.7171.2-66.9-26.1000113.1N710 F712N710-D714 VanDerWaalsContact O-CG 3.3Å; N710-D714 PolarHBondContact O-N 3.25Å; F712-D714 VanDerWaalsContact C-N 3.34Å; F712-D714 PolarHBondContact O-N 3.43Å
715S91.4Very high84Confident22 Ų2244 Ų4415%0.15424%0.237CC..THydrogen-bonded Turntrans-89.8-7.2179.380.10000114.2R711 F712 F713 S742 V743R711-S715 PolarHBondContact O-N 2.69Å; F712-S715 WeakPolarHBondContact O-CA 3.24Å; F712-S715 WeakPolarHBondContact O-CB 3.34Å; F712-S715 PolarHBondContact O-N 3.05Å; F712-S715 PolarHBondContact O-OG 2.56Å; F713-S715 PolarHBondContact O-N 3.15Å; S715-S742 WeakPolarHBondContact O-CA 3.46Å; S715-V743 PolarHBondContact O-N 3.4Å
716V93.1Very high81.8Confident1 Ų149.9 Ų49.91%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-80.9122.3178.7-177.80000110.6L661 F712 F713 V743 I745L661-V716 HydrophobicContact CD2-CB 3.76Å; L661-V716 HydrophobicContact CD2-CG1 3.81Å; L661-V716 HydrophobicContact CD2-CG2 4Å; F712-V716 HydrophobicContact CD1-CG2 4.34Å; F712-V716 HydrophobicContact CE1-CG2 3.81Å; F712-V716 HydrophobicContact CZ-CG2 3.95Å; F712-V716 PolarHBondContact O-N 2.84Å; F713-V716 PolarHBondContact O-N 3.08Å; F713-V716 VanDerWaalsContact O-N 3.07Å; V716-V743 HydrophobicContact CG2-CB 4.31Å; V716-I745 HydrophobicContact CG1-CB 3.99Å; V716-I745 HydrophobicContact CG1-CD1 4.05Å
717T90.9Very high79.7Confident44 Ų4448.6 Ų48.627%0.2727%0.265SS..EExtended strand (participates in β ladder)trans-126.9157.8-175.259.20000111.5V743 D744 I745T717-V743 PolarHBondContact N-O 2.94Å; T717-V743 PolarHBondContact OG1-O 3.44Å; T717-D744 WeakPolarHBondContact O-CA 3.17Å; T717-I745 PolarHBondContact O-N 3.13Å
718N87.6Confident77.4Confident15 Ų1550.8 Ų50.88%0.0827%0.269CS..  trans-114101.4170.9-174.6-15.7000110.1E664 N668 D720 S721 I745E664-N718 HydrophobicContact CB-CB 4.24Å; E664-N718 HydrophobicContact CG-CB 3.91Å; E664-N718 PolarHBondContact O-ND2 3.27Å; N668-N718 PolarHBondContact OD1-ND2 3.31Å; N718-D720 PolarHBondContact O-N 3.21Å; N718-D720 WeakPolarHBondContact OD1-CA 3.41Å; N718-D720 PolarHBondContact OD1-N 3.39Å; N718-S721 PolarHBondContact O-N 3.22Å; N718-S721 PolarHBondContact OD1-N 3.24Å; N718-I745 HydrophobicContact CB-CG2 3.78Å
719K81.5Confident75Confident120 Ų12054.9 Ų54.952%0.52229%0.288SS..THydrogen-bonded Turntrans-66.8-15.7179.8-68166.1-165.8160.10113.7D744K719-D744 VanDerWaalsContact CB-OD2 3.26Å; K719-D744 WeakPolarHBondContact CB-OD2 3.23Å; K719-D744 HydrophobicContact CD-CB 4.3Å; K719-D744 WeakPolarHBondContact CD-OD2 3.38Å; K719-D744 WeakPolarHBondContact CG-OD2 3.39Å; K719-D744 PolarHBondContact N-OD2 3.47Å; K719-D744 VanDerWaalsContact N-OD2 3.13Å
720D76.9Confident72.2Confident37 Ų3758.7 Ų58.720%0.19832%0.319CS..THydrogen-bonded Turntrans-102.2-0.8-177.2-77.717.5000113K456 N718K456-D720 HydrophobicContact CD-CB 4.44Å; K456-D720 WeakPolarHBondContact CD-OD1 3.21Å; K456-D720 IonicContact NZ-OD1 3.17Å; K456-D720 PolarHBondContact NZ-OD1 2.88Å; N718-D720 PolarHBondContact O-N 3.21Å; N718-D720 WeakPolarHBondContact OD1-CA 3.41Å; N718-D720 PolarHBondContact OD1-N 3.39Å
721S74.9Confident69.4Low8 Ų860.5 Ų60.56%0.05634%0.338CS..  trans-70.6130.1180-1790000112.1K453 E664 N718 L723K453-S721 VanDerWaalsContact CD-O 3.32Å; K453-S721 WeakPolarHBondContact CD-O 3.17Å; K453-S721 WeakPolarHBondContact CE-O 3.2Å; K453-S721 PolarHBondContact NZ-O 3.43Å; E664-S721 VanDerWaalsContact CB-OG 3.3Å; E664-S721 WeakPolarHBondContact CB-OG 3.15Å; N718-S721 PolarHBondContact O-N 3.22Å; N718-S721 PolarHBondContact OD1-N 3.24Å; S721-L723 VanDerWaalsContact C-N 3.31Å; S721-L723 WeakPolarHBondContact OG-CB 3.3Å; S721-L723 PolarHBondContact OG-N 2.97Å
722P65.3Low66.8Low29 Ų2961 Ų6119%0.18836%0.356CS..  trans-76.3-18.3172.133.8-35.7000112.6E457 E493E457-P722 HydrophobicContact CG-CB 4.4Å; E457-P722 HydrophobicContact CG-CG 4.09Å; E493-P722 HydrophobicContact CG-CG 4.2Å; E493-P722 WeakPolarHBondContact OE1-CG 3.48Å; E493-P722 WeakPolarHBondContact OE2-CG 3.44Å
723L64.1Low64.1Low13 Ų1363.4 Ų63.47%0.06838%0.383CS..SBendtrans-57.1144.3179.8-69.1164.3000111.9M439 E664 S721M439-L723 HydrophobicContact CE-CD2 3.53Å; M439-L723 HydrophobicContact SD-CD2 4.34Å; E664-L723 HydrophobicContact CB-CD1 4.01Å; S721-L723 VanDerWaalsContact C-N 3.31Å; S721-L723 WeakPolarHBondContact OG-CB 3.3Å; S721-L723 PolarHBondContact OG-N 2.97Å
724P56.5Low61.2Low55 Ų5571 Ų7136%0.35742%0.424SS..  trans-70.3146.817729.2-34.6000110.9T726P724-T726 PolarHBondContact O-N 3.11Å
725P52.6Low58.9Low92 Ų9274 Ų7460%0.59744%0.44SS*.G310 helixtrans-667.9-177-2133.5000116.2V727 Q728P725-V727 VanDerWaalsContact C-N 3.33Å; P725-V727 PolarHBondContact O-N 3.03Å; P725-Q728 WeakPolarHBondContact O-CG 3.45Å
726T44.9Very low56.5Low124 Ų12479.9 Ų79.976%0.76147%0.469SS*.G310 helixtrans-83.6-3.1-170.2-9.40000114.3P724 Q728P724-T726 PolarHBondContact O-N 3.11Å; T726-Q728 VanDerWaalsContact C-N 3.35Å
727V48.4Very low54.1Low22 Ų2290.2 Ų90.213%0.13351%0.514CS..G310 helixtrans-101.429.5177.2-1560000111.1E545 I663 P725 Q729E545-V727 HydrophobicContact CB-CG1 3.85Å; I663-V727 HydrophobicContact CG2-CG1 4.28Å; P725-V727 VanDerWaalsContact C-N 3.33Å; P725-V727 PolarHBondContact O-N 3.03Å; V727-Q729 PolarHBondContact O-N 2.84Å
728Q44.4Very low51.8Low137 Ų13791.1 Ų91.164%0.6453%0.526SS*.  trans-72.8123170.5-77.6178.7-11.700109.3P725 T726 A730P725-Q728 WeakPolarHBondContact O-CG 3.45Å; T726-Q728 VanDerWaalsContact C-N 3.35Å; Q728-A730 PolarHBondContact O-N 2.99Å; Q728-A730 VanDerWaalsContact O-N 3.16Å
729Q43.7Very low49.8Very low106 Ų10696.1 Ų96.150%0.49556%0.563SS.*  trans-49.4123.7169.6-75.3-173.54.900109.4E545 V727 S731E545-Q729 WeakPolarHBondContact OE1-CA 3.31Å; E545-Q729 VanDerWaalsContact OE2-CA 3.29Å; E545-Q729 WeakPolarHBondContact OE2-CA 3.32Å; E545-Q729 PolarHBondContact OE2-N 3.25Å; V727-Q729 PolarHBondContact O-N 2.84Å; Q729-S731 PolarHBondContact O-N 2.93Å
730A34.5Very low48.5Very low80 Ų8096.1 Ų96.166%0.66156%0.564SS**  trans-65.494.6-170.700000111.2E545 Q728 V732E545-A730 PolarHBondContact OE1-N 3.01Å; Q728-A730 PolarHBondContact O-N 2.99Å; Q728-A730 VanDerWaalsContact O-N 3.16Å; A730-V732 PolarHBondContact O-N 3.34Å; A730-V732 VanDerWaalsContact O-N 3.14Å
731S35.2Very low48.1Very low112 Ų11299.6 Ų99.678%0.78359%0.586SS**  trans-49.9121.2176.460.30000110.6Q729 G733Q729-S731 PolarHBondContact O-N 2.93Å; S731-G733 PolarHBondContact O-N 2.97Å
732V37.4Very low48.5Very low150 Ų150102.1 Ų102.191%0.90960%0.604SS**  trans-76.380.7-177.8-177.60000109.2A730A730-V732 PolarHBondContact O-N 3.34Å; A730-V732 VanDerWaalsContact O-N 3.14Å
733G39.4Very low49.7Very low57 Ų57101.4 Ų101.459%0.58860%0.599SS**SBendtrans54.292.2156.700000117.6S731S731-G733 PolarHBondContact O-N 2.97Å
734N33.9Very low51.1Low163 Ų163101.4 Ų101.487%0.87260%0.599SS**  -156.8131.9120.8-104.5-26.3000112.8D736N734-D736 PolarHBondContact O-N 3Å; N734-D736 VanDerWaalsContact O-N 3.14Å
735N41.2Very low52.9Low167 Ų16798.8 Ų98.889%0.89358%0.582SS**  trans-77.492170-95.1-44.9000109.2
736D40.5Very low54.8Low146 Ų14695.4 Ų95.478%0.78156%0.561SS**  trans-133.7124.8157.3-103.5-40.9000111.2N734 A738N734-D736 PolarHBondContact O-N 3Å; N734-D736 VanDerWaalsContact O-N 3.14Å; D736-A738 PolarHBondContact O-N 3.29Å
737K42.6Very low57.1Low217 Ų21793.8 Ų93.894%0.94355%0.545SS*.  trans-79.760.3-178.6-70.3-179.6176.1177.80111.1
738A41.5Very low59.4Low63 Ų6392.9 Ų92.952%0.52154%0.539SS..  trans-78.3130159.100000108.5D736 H740D736-A738 PolarHBondContact O-N 3.29Å; A738-H740 VanDerWaalsContact C-N 3.26Å; A738-H740 PolarHBondContact O-N 3.44Å
739S46Very low61.9Low121 Ų12186.7 Ų86.785%0.84651%0.51SS*.  trans-72.182.4174.954.10000110V741S739-V741 PolarHBondContact O-N 3.18Å
740H54.8Low64.3Low119 Ų11985.2 Ų85.255%0.55150%0.5SS*.  trans-61.4127.4172.5-84.6-90.8000109.8A738 S742A738-H740 VanDerWaalsContact C-N 3.26Å; A738-H740 PolarHBondContact O-N 3.44Å; H740-S742 PolarHBondContact O-N 3.13Å
741V69.1Low67.2Low110 Ų11085.4 Ų85.467%0.66749%0.487SS*.  trans-68.4114.7173.6176.90000107.2S739S739-V741 PolarHBondContact O-N 3.18Å
742S83Confident70.1Confident62 Ų6280.2 Ų80.243%0.43445%0.451SS..PPolyproline II helixtrans-81.7129.9174.458.70000110.9S715 H740S715-S742 WeakPolarHBondContact O-CA 3.46Å; H740-S742 PolarHBondContact O-N 3.13Å
743V90.6Very high72.8Confident13 Ų1374.6 Ų74.68%0.07941%0.414CS..EExtended strand (participates in β ladder)trans-85.9138175.5-175.90000107.9Y691 F712 S715 V716 T717 L748Y691-V743 HydrophobicContact CE1-CG2 4.1Å; Y691-V743 HydrophobicContact CE2-CG2 4.28Å; F712-V743 HydrophobicContact CD2-CG2 4.5Å; F712-V743 HydrophobicContact CE2-CG2 3.97Å; S715-V743 PolarHBondContact O-N 3.4Å; V716-V743 HydrophobicContact CG2-CB 4.31Å; T717-V743 PolarHBondContact N-O 2.94Å; T717-V743 PolarHBondContact OG1-O 3.44Å; V743-L748 HydrophobicContact CG1-CB 4.31Å
744D92.9Very high75.4Confident13 Ų1378 Ų787%0.0742%0.415CS..EExtended strand (participates in β ladder)trans-93.2129.5171.7-166.6-86.4000110T717 K719 S746 E747 L748T717-D744 WeakPolarHBondContact O-CA 3.17Å; K719-D744 VanDerWaalsContact CB-OD2 3.26Å; K719-D744 WeakPolarHBondContact CB-OD2 3.23Å; K719-D744 HydrophobicContact CD-CB 4.3Å; K719-D744 WeakPolarHBondContact CD-OD2 3.38Å; K719-D744 WeakPolarHBondContact CG-OD2 3.39Å; K719-D744 PolarHBondContact N-OD2 3.47Å; K719-D744 VanDerWaalsContact N-OD2 3.13Å; D744-S746 PolarHBondContact O-N 2.91Å; D744-S746 WeakPolarHBondContact OD1-CA 3.39Å; D744-S746 WeakPolarHBondContact OD1-CB 3.46Å; D744-S746 PolarHBondContact OD1-N 3.23Å; D744-S746 PolarHBondContact OD1-OG 2.9Å; D744-E747 HydrophobicContact CB-CB 4.38Å; D744-E747 HydrophobicContact CB-CG 4.16Å; D744-E747 PolarHBondContact O-N 2.87Å; D744-L748 PolarHBondContact O-N 3.03Å
745I94.8Very high78.3Confident0 Ų075.4 Ų75.40%040%0.395CS..Hα-helixtrans-59.7-32.7-179.7-172.957.8000112.9L661 N668 V669 V716 T717 N718 L748 I749L661-I745 HydrophobicContact CD1-CD1 4.23Å; N668-I745 HydrophobicContact CB-CG1 4.3Å; V669-I745 HydrophobicContact CG2-CD1 4Å; V716-I745 HydrophobicContact CG1-CB 3.99Å; V716-I745 HydrophobicContact CG1-CD1 4.05Å; T717-I745 PolarHBondContact O-N 3.13Å; N718-I745 HydrophobicContact CB-CG2 3.78Å; I745-L748 HydrophobicContact CD1-CD2 4.33Å; I745-L748 PolarHBondContact O-N 2.91Å; I745-I749 HydrophobicContact CD1-CD1 4.08Å; I745-I749 HydrophobicContact CD1-CG1 4.11Å; I745-I749 HydrophobicContact CG1-CD1 3.84Å; I745-I749 HydrophobicContact CG1-CG1 4.3Å; I745-I749 WeakPolarHBondContact O-CB 3.43Å; I745-I749 VanDerWaalsContact O-CG1 3.27Å; I745-I749 WeakPolarHBondContact O-CG1 3.29Å; I745-I749 PolarHBondContact O-N 3.09Å
746S92.7Very high80.8Confident21 Ų2167.7 Ų67.715%0.14735%0.354CS..Hα-helixtrans-69.5-37.8-179.3-32.60000110.9D744 R750D744-S746 PolarHBondContact O-N 2.91Å; D744-S746 WeakPolarHBondContact OD1-CA 3.39Å; D744-S746 WeakPolarHBondContact OD1-CB 3.46Å; D744-S746 PolarHBondContact OD1-N 3.23Å; D744-S746 PolarHBondContact OD1-OG 2.9Å; S746-R750 VanDerWaalsContact O-CB 3.24Å; S746-R750 WeakPolarHBondContact O-CB 3.47Å; S746-R750 PolarHBondContact O-N 3.49Å
747E93.3Very high82.9Confident91 Ų9162.4 Ų62.443%0.42533%0.334SS..Hα-helixtrans-69.8-43.2173.8-64.1-59.4151.300111.2D744 I749 R750 E751D744-E747 HydrophobicContact CB-CB 4.38Å; D744-E747 HydrophobicContact CB-CG 4.16Å; D744-E747 PolarHBondContact O-N 2.87Å; E747-I749 PolarHBondContact O-N 3.3Å; E747-R750 WeakPolarHBondContact O-CB 3.3Å; E747-R750 PolarHBondContact O-N 3.37Å; E747-R750 IonicContact OE2-CZ 2.73Å; E747-R750 IonicContact OE2-NE 2.83Å; E747-R750 PolarHBondContact OE2-NE 3.46Å; E747-R750 IonicContact OE2-NH2 3.93Å; E747-R750 PolarHBondContact OE2-NH2 2.93Å; E747-E751 WeakPolarHBondContact O-CB 3.49Å; E747-E751 WeakPolarHBondContact O-CG 3.47Å; E747-E751 PolarHBondContact O-N 3.13Å
748L95.8Very high85Confident3 Ų358 Ų582%0.01632%0.316CS..Hα-helixtrans-61.8-42.8177.3-177.264.7000112.3L684 A687 V688 F712 V743 D744 I745 A752L684-L748 HydrophobicContact CD1-CD2 3.86Å; L684-L748 HydrophobicContact CD1-CG 3.79Å; A687-L748 HydrophobicContact CB-CD1 4.13Å; V688-L748 HydrophobicContact CG2-CD2 4.33Å; F712-L748 HydrophobicContact CE1-CD2 4.33Å; F712-L748 HydrophobicContact CZ-CD1 4.31Å; F712-L748 HydrophobicContact CZ-CD2 3.93Å; V743-L748 HydrophobicContact CG1-CB 4.31Å; D744-L748 PolarHBondContact O-N 3.03Å; I745-L748 HydrophobicContact CD1-CD2 4.33Å; I745-L748 PolarHBondContact O-N 2.91Å; L748-A752 WeakPolarHBondContact O-CB 3.32Å; L748-A752 PolarHBondContact O-N 3.44Å
749I96.6Very high87.2Confident7 Ų755.9 Ų55.94%0.03630%0.295CS..Hα-helixtrans-65.7-43.8174-68.1171.2000110.3V488 N668 V669 I745 E747 E751 A752 Y753V488-I749 HydrophobicContact CG1-CG2 4.2Å; V488-I749 HydrophobicContact CG2-CG2 4.45Å; N668-I749 HydrophobicContact CB-CD1 3.78Å; V669-I749 HydrophobicContact CG2-CD1 4.29Å; I745-I749 HydrophobicContact CD1-CD1 4.08Å; I745-I749 HydrophobicContact CD1-CG1 4.11Å; I745-I749 HydrophobicContact CG1-CD1 3.84Å; I745-I749 HydrophobicContact CG1-CG1 4.3Å; I745-I749 WeakPolarHBondContact O-CB 3.43Å; I745-I749 VanDerWaalsContact O-CG1 3.27Å; I745-I749 WeakPolarHBondContact O-CG1 3.29Å; I745-I749 PolarHBondContact O-N 3.09Å; E747-I749 PolarHBondContact O-N 3.3Å; I749-E751 PolarHBondContact O-N 3.2Å; I749-A752 PolarHBondContact O-N 2.9Å; I749-Y753 HydrophobicContact CG2-CD2 3.79Å; I749-Y753 HydrophobicContact CG2-CE2 3.98Å; I749-Y753 WeakPolarHBondContact O-CD2 3.41Å; I749-Y753 PolarHBondContact O-N 3.29Å
750R95.1Very high89Confident74 Ų7455.4 Ų55.428%0.27928%0.275SS..Hα-helixtrans-57.8-47.2176.5-176.6-171.461.962.811.6111.2V488 S746 E747 Y753 E754V488-R750 HydrophobicContact CG1-CB 4.48Å; S746-R750 VanDerWaalsContact O-CB 3.24Å; S746-R750 WeakPolarHBondContact O-CB 3.47Å; S746-R750 PolarHBondContact O-N 3.49Å; E747-R750 WeakPolarHBondContact O-CB 3.3Å; E747-R750 PolarHBondContact O-N 3.37Å; E747-R750 IonicContact OE2-CZ 2.73Å; E747-R750 IonicContact OE2-NE 2.83Å; E747-R750 PolarHBondContact OE2-NE 3.46Å; E747-R750 IonicContact OE2-NH2 3.93Å; E747-R750 PolarHBondContact OE2-NH2 2.93Å; R750-Y753 PolarHBondContact O-N 3.02Å; R750-E754 WeakPolarHBondContact CD-OE1 3.47Å; R750-E754 HydrophobicContact CG-CG 4.48Å; R750-E754 VanDerWaalsContact CG-OE1 3.24Å; R750-E754 WeakPolarHBondContact CG-OE1 3.37Å; R750-E754 IonicContact CZ-OE1 3.99Å; R750-E754 IonicContact NH1-OE1 2.59Å; R750-E754 PolarHBondContact NH1-OE1 3.24Å; R750-E754 IonicContact NH1-OE2 3.26Å; R750-E754 PolarHBondContact NH1-OE2 3.03Å; R750-E754 WeakPolarHBondContact O-CB 3.06Å; R750-E754 WeakPolarHBondContact O-CG 3.38Å; R750-E754 PolarHBondContact O-N 3.27Å
751E94.9Very high90.4Very high85 Ų8552.5 Ų52.540%0.39727%0.268SS..Hα-helixtrans-63.7-41.3178.2-73.7175.5-178.300112.1E747 I749 Y753 E754 K755E747-E751 WeakPolarHBondContact O-CB 3.49Å; E747-E751 WeakPolarHBondContact O-CG 3.47Å; E747-E751 PolarHBondContact O-N 3.13Å; I749-E751 PolarHBondContact O-N 3.2Å; E751-Y753 PolarHBondContact O-N 2.8Å; E751-E754 PolarHBondContact O-N 2.74Å; E751-K755 WeakPolarHBondContact O-CB 3.22Å; E751-K755 PolarHBondContact O-N 2.65Å
752A96.4Very high91.1Very high2 Ų251.1 Ų51.12%0.01725%0.254CS..Hα-helixtrans-58.5-46172.800000112Q683 A687 L748 I749 Y756Q683-A752 HydrophobicContact CB-CB 4.44Å; A687-A752 HydrophobicContact CB-CB 3.73Å; L748-A752 WeakPolarHBondContact O-CB 3.32Å; L748-A752 PolarHBondContact O-N 3.44Å; I749-A752 PolarHBondContact O-N 2.9Å; A752-Y756 WeakPolarHBondContact O-CA 3.44Å; A752-Y756 VanDerWaalsContact O-CB 3.32Å; A752-Y756 WeakPolarHBondContact O-CB 3.29Å; A752-Y756 PolarHBondContact O-N 2.67Å
753Y94.1Very high91.3Very high32 Ų3252.8 Ų52.813%0.12526%0.255CS..Hα-helixtrans-72.4-24.9177.8-90-88.4000114R484 V488 C672 D676 I749 R750 E751 G757R484-Y753 HydrophobicContact CG-CE1 4.11Å; V488-Y753 HydrophobicContact CG2-CD1 4.24Å; V488-Y753 HydrophobicContact CG2-CD2 3.77Å; V488-Y753 HydrophobicContact CG2-CE1 4.33Å; V488-Y753 HydrophobicContact CG2-CE2 3.87Å; V488-Y753 HydrophobicContact CG2-CG 3.94Å; C672-Y753 HydrophobicContact CB-CE2 4.24Å; D676-Y753 WeakPolarHBondContact CB-OH 3.11Å; D676-Y753 WeakPolarHBondContact OD2-CE1 3.43Å; D676-Y753 PolarHBondContact OD2-OH 3.21Å; I749-Y753 HydrophobicContact CG2-CD2 3.79Å; I749-Y753 HydrophobicContact CG2-CE2 3.98Å; I749-Y753 WeakPolarHBondContact O-CD2 3.41Å; I749-Y753 PolarHBondContact O-N 3.29Å; R750-Y753 PolarHBondContact O-N 3.02Å; E751-Y753 PolarHBondContact O-N 2.8Å; Y753-G757 WeakPolarHBondContact O-CA 3.41Å; Y753-G757 PolarHBondContact O-N 3.34Å
754E93.6Very high91.3Very high130 Ų13052.7 Ų52.761%0.60725%0.254SS*.Hα-helixtrans-81.4-48.6175.7-78.1176.6-160.500112.1R750 E751R750-E754 WeakPolarHBondContact CD-OE1 3.47Å; R750-E754 HydrophobicContact CG-CG 4.48Å; R750-E754 VanDerWaalsContact CG-OE1 3.24Å; R750-E754 WeakPolarHBondContact CG-OE1 3.37Å; R750-E754 IonicContact CZ-OE1 3.99Å; R750-E754 IonicContact NH1-OE1 2.59Å; R750-E754 PolarHBondContact NH1-OE1 3.24Å; R750-E754 IonicContact NH1-OE2 3.26Å; R750-E754 PolarHBondContact NH1-OE2 3.03Å; R750-E754 WeakPolarHBondContact O-CB 3.06Å; R750-E754 WeakPolarHBondContact O-CG 3.38Å; R750-E754 PolarHBondContact O-N 3.27Å; E751-E754 PolarHBondContact O-N 2.74Å
755K94.3Very high91Very high108 Ų10855.6 Ų55.647%0.4727%0.268SS..Hα-helixtrans-75.3-42.1-177.1-170.1166.1174.7172.80112.1D690 E751 H758D690-K755 IonicContact OD1-NZ 2.71Å; D690-K755 PolarHBondContact OD1-NZ 2.87Å; D690-K755 WeakPolarHBondContact OD2-CD 3.47Å; D690-K755 WeakPolarHBondContact OD2-CE 3.42Å; D690-K755 IonicContact OD2-NZ 2.77Å; D690-K755 PolarHBondContact OD2-NZ 2.93Å; E751-K755 WeakPolarHBondContact O-CB 3.22Å; E751-K755 PolarHBondContact O-N 2.65Å; K755-H758 PolarHBondContact O-ND1 3.49Å
756Y94.3Very high90.6Very high4 Ų459 Ų592%0.01629%0.291CS..SBendtrans-108.16.3-175.1-52.2-64.4000113.6N631 Q683 L686 A687 D690 A752 H758 F759N631-Y756 HydrophobicContact CB-CE1 4.11Å; Q683-Y756 PolarHBondContact NE2-O 3.18Å; L686-Y756 HydrophobicContact CB-CD1 4.32Å; L686-Y756 HydrophobicContact CB-CD2 3.91Å; L686-Y756 HydrophobicContact CB-CE1 4.08Å; L686-Y756 HydrophobicContact CB-CE2 3.65Å; L686-Y756 HydrophobicContact CB-CG 4.26Å; L686-Y756 HydrophobicContact CD1-CD1 3.73Å; L686-Y756 HydrophobicContact CD1-CD2 4.45Å; L686-Y756 HydrophobicContact CD1-CE1 4.03Å; L686-Y756 HydrophobicContact CD1-CG 3.98Å; A687-Y756 HydrophobicContact CB-CE2 4.15Å; D690-Y756 WeakPolarHBondContact CB-OH 3.23Å; D690-Y756 VanDerWaalsContact CG-OH 3.3Å; D690-Y756 PolarHBondContact OD2-OH 3.43Å; A752-Y756 WeakPolarHBondContact O-CA 3.44Å; A752-Y756 VanDerWaalsContact O-CB 3.32Å; A752-Y756 WeakPolarHBondContact O-CB 3.29Å; A752-Y756 PolarHBondContact O-N 2.67Å; Y756-H758 PolarHBondContact O-N 3.04Å; Y756-H758 VanDerWaalsContact O-N 3.07Å; Y756-F759 HydrophobicContact CD1-CE2 4.04Å; Y756-F759 HydrophobicContact CD1-CZ 4.01Å; Y756-F759 HydrophobicContact CG-CE2 4.17Å; Y756-F759 VanDerWaalsContact O-CD2 3.24Å; Y756-F759 WeakPolarHBondContact O-CD2 3.14Å; Y756-F759 WeakPolarHBondContact O-CG 3.49Å; Y756-F759 PolarHBondContact O-N 2.83Å
757G85.4Confident90.5Very high35 Ų3558.7 Ų58.736%0.36129%0.29SS..THydrogen-bonded Turntrans-65.3-8.2-179.100000116.3Y753Y753-G757 WeakPolarHBondContact O-CA 3.41Å; Y753-G757 PolarHBondContact O-N 3.34Å
758H86.2Confident90.4Very high124 Ų12455.5 Ų55.557%0.57427%0.274SS*.THydrogen-bonded Turntrans-76.1-21.8179.368.6-89.5000113.1K755 Y756 R760K755-H758 PolarHBondContact O-ND1 3.49Å; Y756-H758 PolarHBondContact O-N 3.04Å; Y756-H758 VanDerWaalsContact O-N 3.07Å; H758-R760 PolarHBondContact O-N 2.99Å
759F86.4Confident89.9Confident19 Ų1957.6 Ų57.68%0.08328%0.282CS..  trans-63.2127.6177.9-54.9-35.6000112.5L627 N631 Q683 L686 Y756L627-F759 HydrophobicContact CD2-CE1 4.06Å; L627-F759 HydrophobicContact CD2-CE2 4.02Å; L627-F759 HydrophobicContact CD2-CZ 3.81Å; N631-F759 WeakPolarHBondContact OD1-CZ 3.45Å; Q683-F759 HydrophobicContact CG-CD2 4.05Å; L686-F759 HydrophobicContact CD1-CE2 3.62Å; L686-F759 HydrophobicContact CD1-CZ 4.01Å; Y756-F759 HydrophobicContact CD1-CE2 4.04Å; Y756-F759 HydrophobicContact CD1-CZ 4.01Å; Y756-F759 HydrophobicContact CG-CE2 4.17Å; Y756-F759 VanDerWaalsContact O-CD2 3.24Å; Y756-F759 WeakPolarHBondContact O-CD2 3.14Å; Y756-F759 WeakPolarHBondContact O-CG 3.49Å; Y756-F759 PolarHBondContact O-N 2.83Å
760R84.8Confident89.4Confident112 Ų11261 Ų6142%0.42330%0.295SS..  trans-84.8143.9172.1-56.6176.166.694.90.3109.8H758 E762 E763 V764H758-R760 PolarHBondContact O-N 2.99Å; R760-E762 HydrophobicContact CB-CB 4.49Å; R760-E762 IonicContact CZ-OE2 3.28Å; R760-E762 IonicContact NE-OE2 3.77Å; R760-E762 PolarHBondContact NE-OE2 3Å; R760-E762 IonicContact NH2-OE2 3.48Å; R760-E762 PolarHBondContact NH2-OE2 2.98Å; R760-E762 PolarHBondContact O-N 3.45Å; R760-E762 VanDerWaalsContact O-N 3.16Å; R760-E763 HydrophobicContact CB-CB 4.45Å; R760-E763 HydrophobicContact CB-CG 4.02Å; R760-E763 WeakPolarHBondContact CB-OE2 3.48Å; R760-E763 VanDerWaalsContact CD-OE1 3.31Å; R760-E763 WeakPolarHBondContact CD-OE1 3.48Å; R760-E763 PolarHBondContact N-OE2 3.07Å; R760-E763 WeakPolarHBondContact O-CB 3.48Å; R760-E763 PolarHBondContact O-N 3.2Å; R760-V764 PolarHBondContact O-N 3Å
761S84.7Confident89.2Confident58 Ų5858.2 Ų58.241%0.40629%0.285SS..Hα-helixtrans-61.2-24.9173-55.60000112.5K679 E765K679-S761 PolarHBondContact NZ-OG 2.99Å; S761-E765 PolarHBondContact O-N 3.38Å; S761-E765 VanDerWaalsContact O-N 3.08Å
762E83.9Confident89Confident80 Ų8055.8 Ų55.837%0.37427%0.274SS..Hα-helixtrans-68.8-34.2174-62.1169.8135.900112.8R760 S766R760-E762 HydrophobicContact CB-CB 4.49Å; R760-E762 IonicContact CZ-OE2 3.28Å; R760-E762 IonicContact NE-OE2 3.77Å; R760-E762 PolarHBondContact NE-OE2 3Å; R760-E762 IonicContact NH2-OE2 3.48Å; R760-E762 PolarHBondContact NH2-OE2 2.98Å; R760-E762 PolarHBondContact O-N 3.45Å; R760-E762 VanDerWaalsContact O-N 3.16Å; E762-S766 WeakPolarHBondContact O-CB 3.2Å; E762-S766 PolarHBondContact O-N 3.43Å
763E86.6Confident88.6Confident98 Ų9855.9 Ų55.946%0.45827%0.274SS..Hα-helixtrans-73.1-42.1178-68.3156.3177.400110.3R760 E765 S766 S767R760-E763 HydrophobicContact CB-CB 4.45Å; R760-E763 HydrophobicContact CB-CG 4.02Å; R760-E763 WeakPolarHBondContact CB-OE2 3.48Å; R760-E763 VanDerWaalsContact CD-OE1 3.31Å; R760-E763 WeakPolarHBondContact CD-OE1 3.48Å; R760-E763 PolarHBondContact N-OE2 3.07Å; R760-E763 WeakPolarHBondContact O-CB 3.48Å; R760-E763 PolarHBondContact O-N 3.2Å; E763-E765 PolarHBondContact O-N 3.36Å; E763-S766 PolarHBondContact O-N 3.35Å; E763-S767 WeakPolarHBondContact O-CB 3.4Å; E763-S767 PolarHBondContact O-N 2.97Å
764V89.9Confident88.3Confident10 Ų1057.6 Ų57.66%0.06128%0.283CS..Hα-helixtrans-58.3-48172.3178.20000110.7I678 K679 L682 R760 S766 S767 R768I678-V764 HydrophobicContact CG2-CG1 4.17Å; K679-V764 HydrophobicContact CB-CG2 4.37Å; K679-V764 HydrophobicContact CG-CG2 4.2Å; L682-V764 HydrophobicContact CD1-CG1 3.8Å; R760-V764 PolarHBondContact O-N 3Å; V764-S766 PolarHBondContact O-N 3.21Å; V764-S767 PolarHBondContact O-N 2.8Å; V764-R768 HydrophobicContact CG1-CG 4.48Å; V764-R768 WeakPolarHBondContact O-CG 3.45Å; V764-R768 PolarHBondContact O-N 2.75Å
765E87.8Confident88.2Confident74 Ų7452 Ų5235%0.34626%0.258SS..Hα-helixtrans-64.9-38.1177.7-175.655.9-153.200112.5S761 E763 S767 R768 K769S761-E765 PolarHBondContact O-N 3.38Å; S761-E765 VanDerWaalsContact O-N 3.08Å; E763-E765 PolarHBondContact O-N 3.36Å; E765-S767 VanDerWaalsContact C-N 3.31Å; E765-S767 PolarHBondContact O-N 3.14Å; E765-R768 PolarHBondContact O-N 3.26Å; E765-R768 WeakPolarHBondContact OE2-CD 3.38Å; E765-R768 IonicContact OE2-NE 3.7Å; E765-R768 PolarHBondContact OE2-NE 3.2Å; E765-K769 HydrophobicContact CG-CD 4.5Å; E765-K769 WeakPolarHBondContact O-CG 3.42Å; E765-K769 PolarHBondContact O-N 2.77Å
766S85.8Confident87.8Confident71 Ų7147.2 Ų47.250%0.49724%0.237SC..Hα-helixtrans-63.1-36.8172.8-168.80000112.4E762 E763 V764 R770E762-S766 WeakPolarHBondContact O-CB 3.2Å; E762-S766 PolarHBondContact O-N 3.43Å; E763-S766 PolarHBondContact O-N 3.35Å; V764-S766 PolarHBondContact O-N 3.21Å; S766-R770 PolarHBondContact O-N 2.77Å; S766-R770 VanDerWaalsContact O-N 3.09Å
767S90.1Very high87.5Confident16 Ų1647.5 Ų47.511%0.11224%0.239CC..Hα-helixtrans-71.5-41.3176.1-165.10000111.5E763 V764 E765 K769 R770 N771E763-S767 WeakPolarHBondContact O-CB 3.4Å; E763-S767 PolarHBondContact O-N 2.97Å; V764-S767 PolarHBondContact O-N 2.8Å; E765-S767 VanDerWaalsContact C-N 3.31Å; E765-S767 PolarHBondContact O-N 3.14Å; S767-K769 VanDerWaalsContact C-N 3.32Å; S767-K769 PolarHBondContact O-N 3.1Å; S767-R770 PolarHBondContact O-N 2.85Å; S767-R770 PolarHBondContact OG-NH2 3.11Å; S767-N771 WeakPolarHBondContact O-CB 3.49Å; S767-N771 PolarHBondContact O-N 2.98Å; S767-N771 PolarHBondContact O-ND2 2.86Å
768R90.9Very high87.6Confident24 Ų2448.6 Ų48.69%0.09124%0.238CC..Hα-helixtrans-54.7-47.2172.2-71.9167.56497.912.6111.1V619 D620 V623 V764 E765 N771 K772V619-R768 HydrophobicContact CG1-CB 3.81Å; V619-R768 HydrophobicContact CG1-CG 4.06Å; V619-R768 VanDerWaalsContact CG1-O 3.29Å; V619-R768 WeakPolarHBondContact CG1-O 3.46Å; D620-R768 WeakPolarHBondContact OD1-CD 3.25Å; D620-R768 WeakPolarHBondContact OD1-CG 3.49Å; D620-R768 IonicContact OD1-CZ 2.66Å; D620-R768 IonicContact OD1-NE 2.7Å; D620-R768 IonicContact OD1-NH1 2.76Å; D620-R768 PolarHBondContact OD1-NH1 2.85Å; D620-R768 IonicContact OD2-CZ 3.66Å; D620-R768 VanDerWaalsContact OD2-CZ 3.24Å; D620-R768 IonicContact OD2-NH1 2.71Å; D620-R768 PolarHBondContact OD2-NH1 3.04Å; D620-R768 IonicContact OD2-NH2 3.62Å; V623-R768 HydrophobicContact CG2-CB 4.46Å; V623-R768 HydrophobicContact CG2-CG 3.96Å; V764-R768 HydrophobicContact CG1-CG 4.48Å; V764-R768 WeakPolarHBondContact O-CG 3.45Å; V764-R768 PolarHBondContact O-N 2.75Å; E765-R768 PolarHBondContact O-N 3.26Å; E765-R768 WeakPolarHBondContact OE2-CD 3.38Å; E765-R768 IonicContact OE2-NE 3.7Å; E765-R768 PolarHBondContact OE2-NE 3.2Å; R768-N771 PolarHBondContact O-N 3.29Å; R768-K772 WeakPolarHBondContact O-CB 3.45Å; R768-K772 PolarHBondContact O-N 3.46Å
769K85.8Confident87.6Confident46 Ų4644.7 Ų44.720%0.222%0.221CC..Hα-helixtrans-62.2-45.5176.8-73.9169158.7-149.40113.2E244 E765 S767 N771 K772E244-K769 WeakPolarHBondContact OE2-CD 3.42Å; E244-K769 IonicContact OE2-NZ 2.6Å; E244-K769 PolarHBondContact OE2-NZ 3.06Å; E765-K769 HydrophobicContact CG-CD 4.5Å; E765-K769 WeakPolarHBondContact O-CG 3.42Å; E765-K769 PolarHBondContact O-N 2.77Å; S767-K769 VanDerWaalsContact C-N 3.32Å; S767-K769 PolarHBondContact O-N 3.1Å; K769-N771 VanDerWaalsContact C-N 3.34Å; K769-N771 PolarHBondContact O-N 3.12Å; K769-K772 PolarHBondContact O-N 2.81Å
770R86.5Confident87.6Confident80 Ų8044 Ų4430%0.30222%0.218SC..Hα-helixtrans-57.1-46.5175.1-179.9177.168.9-165.11.8111.5D626 S766 S767D626-R770 IonicContact OD2-CZ 3.85Å; D626-R770 IonicContact OD2-NE 3.32Å; D626-R770 IonicContact OD2-NH2 2.74Å; D626-R770 PolarHBondContact OD2-NH2 3.26Å; S766-R770 PolarHBondContact O-N 2.77Å; S766-R770 VanDerWaalsContact O-N 3.09Å; S767-R770 PolarHBondContact O-N 2.85Å; S767-R770 PolarHBondContact OG-NH2 3.11Å
771N91.3Very high87.7Confident14 Ų1441.2 Ų41.28%0.07521%0.212CC..Hα-helixtrans-82.2-20-175.2-73.5-38.9000114.1A622 D626 S767 R768 K769 L773 H774 V775A622-N771 HydrophobicContact CB-CB 3.84Å; D626-N771 PolarHBondContact OD2-ND2 3.47Å; S767-N771 WeakPolarHBondContact O-CB 3.49Å; S767-N771 PolarHBondContact O-N 2.98Å; S767-N771 PolarHBondContact O-ND2 2.86Å; R768-N771 PolarHBondContact O-N 3.29Å; K769-N771 VanDerWaalsContact C-N 3.34Å; K769-N771 PolarHBondContact O-N 3.12Å; N771-L773 PolarHBondContact O-N 3.11Å; N771-H774 PolarHBondContact O-N 3.06Å; N771-H774 VanDerWaalsContact O-N 3.16Å; N771-V775 WeakPolarHBondContact O-CG2 3.37Å; N771-V775 PolarHBondContact O-N 3.05Å
772K89.3Confident87.9Confident35 Ų3541.9 Ų41.915%0.15221%0.214CC..Hα-helixtrans-59.1-41.1177.5-171.8164-168.1161.70113.7D608 V619 R768 K769 I776D608-K772 IonicContact OD2-NZ 3.9Å; D608-K772 PolarHBondContact OD2-NZ 2.75Å; V619-K772 HydrophobicContact CG2-CB 3.98Å; V619-K772 HydrophobicContact CG2-CG 4.21Å; R768-K772 WeakPolarHBondContact O-CB 3.45Å; R768-K772 PolarHBondContact O-N 3.46Å; K769-K772 PolarHBondContact O-N 2.81Å; K772-I776 HydrophobicContact CG-CD1 3.79Å; K772-I776 WeakPolarHBondContact O-CB 3.3Å; K772-I776 VanDerWaalsContact O-CG1 3.31Å; K772-I776 WeakPolarHBondContact O-CG1 3.34Å; K772-I776 PolarHBondContact O-N 3.44Å; K772-I776 VanDerWaalsContact O-N 3.17Å
773L88.6Confident88Confident4 Ų439.1 Ų39.12%0.02120%0.202CC..Hα-helixtrans-57.5-53.1172.9-78.6158.5000110.7I204 L207 A247 I251 N771 I776 Q777I204-L773 HydrophobicContact CG2-CD2 4.49Å; L207-L773 HydrophobicContact CB-CD1 3.67Å; A247-L773 HydrophobicContact CB-CD1 4.49Å; A247-L773 HydrophobicContact CB-CD2 4.09Å; I251-L773 HydrophobicContact CD1-CD2 3.45Å; I251-L773 VanDerWaalsContact CD1-CD2 3.45Å; I251-L773 HydrophobicContact CD1-CG 4.38Å; N771-L773 PolarHBondContact O-N 3.11Å; L773-I776 PolarHBondContact O-N 3.11Å; L773-Q777 WeakPolarHBondContact O-CG 3.48Å; L773-Q777 PolarHBondContact O-N 2.72Å
774H88.9Confident88.1Confident67 Ų6735.4 Ų35.431%0.3119%0.185SC..Hα-helixtrans-61.6-47.8-177179.542.5000112.6W205 N771 I776 Q777 T778W205-H774 AromaticContact CE3-ND1 3.92Å; W205-H774 WeakPolarHBondContact O-CA 3.43Å; W205-H774 PolarHBondContact O-N 3.2Å; N771-H774 PolarHBondContact O-N 3.06Å; N771-H774 VanDerWaalsContact O-N 3.16Å; H774-I776 VanDerWaalsContact C-N 3.35Å; H774-I776 PolarHBondContact O-N 2.68Å; H774-Q777 PolarHBondContact O-N 3.01Å; H774-T778 PolarHBondContact CE1-OG1 3.24Å; H774-T778 WeakPolarHBondContact O-CB 3.29Å; H774-T778 PolarHBondContact O-N 3.15Å; H774-T778 PolarHBondContact O-OG1 3.4Å
775V90.1Very high88.2Confident13 Ų1338.6 Ų38.68%0.07920%0.199CC..Hα-helixtrans-59.7-44.2179.2166.30000111.8I615 L618 V619 A622 N771 T778 L779I615-V775 HydrophobicContact CG2-CG1 4.46Å; L618-V775 HydrophobicContact CB-CG1 3.57Å; L618-V775 HydrophobicContact CD1-CG1 4.21Å; V619-V775 HydrophobicContact CG2-CB 3.96Å; V619-V775 HydrophobicContact CG2-CG1 4.12Å; V619-V775 HydrophobicContact CG2-CG2 4Å; A622-V775 HydrophobicContact CB-CG2 4.13Å; N771-V775 WeakPolarHBondContact O-CG2 3.37Å; N771-V775 PolarHBondContact O-N 3.05Å; V775-T778 PolarHBondContact O-N 3.14Å; V775-L779 HydrophobicContact CG1-CD1 4.43Å; V775-L779 WeakPolarHBondContact O-CG 3.28Å; V775-L779 PolarHBondContact O-N 3.39Å
776I86.4Confident88.3Confident8 Ų837.2 Ų37.24%0.04119%0.194CC..Hα-helixtrans-66.8-42.3-179.7-69.7171.9000110.6I251 I615 K772 L773 H774 T778 L779 E780I251-I776 HydrophobicContact CD1-CG2 4.35Å; I251-I776 HydrophobicContact CG2-CD1 3.41Å; I251-I776 VanDerWaalsContact CG2-CD1 3.41Å; I251-I776 HydrophobicContact CG2-CG2 4.29Å; I615-I776 HydrophobicContact CD1-CG1 4.44Å; I615-I776 HydrophobicContact CG2-CD1 4.08Å; I615-I776 HydrophobicContact CG2-CG1 3.89Å; K772-I776 HydrophobicContact CG-CD1 3.79Å; K772-I776 WeakPolarHBondContact O-CB 3.3Å; K772-I776 VanDerWaalsContact O-CG1 3.31Å; K772-I776 WeakPolarHBondContact O-CG1 3.34Å; K772-I776 PolarHBondContact O-N 3.44Å; K772-I776 VanDerWaalsContact O-N 3.17Å; L773-I776 PolarHBondContact O-N 3.11Å; H774-I776 VanDerWaalsContact C-N 3.35Å; H774-I776 PolarHBondContact O-N 2.68Å; I776-T778 VanDerWaalsContact C-N 3.35Å; I776-T778 PolarHBondContact O-N 3.42Å; I776-L779 PolarHBondContact O-N 2.91Å; I776-E780 WeakPolarHBondContact O-CB 3.44Å; I776-E780 VanDerWaalsContact O-CG 3.25Å; I776-E780 WeakPolarHBondContact O-CG 3.25Å; I776-E780 PolarHBondContact O-N 3.12Å
777Q87.4Confident88.5Confident10 Ų1033.9 Ų33.95%0.04717%0.17CC..Hα-helixtrans-65.2-36.1174.5-63.2-60.1-9.500113D202 I204 W205 L773 H774 E780 D781D202-Q777 PolarHBondContact O-NE2 3.38Å; I204-Q777 WeakPolarHBondContact O-CG 3.49Å; I204-Q777 PolarHBondContact O-NE2 2.92Å; W205-Q777 HydrophobicContact CB-CG 4.47Å; W205-Q777 HydrophobicContact CD2-CB 3.48Å; W205-Q777 VanDerWaalsContact CD2-CB 3.48Å; W205-Q777 HydrophobicContact CD2-CG 3.88Å; W205-Q777 HydrophobicContact CE3-CB 3.57Å; W205-Q777 HydrophobicContact CE3-CG 4.37Å; W205-Q777 HydrophobicContact CG-CB 4.07Å; W205-Q777 HydrophobicContact CG-CG 3.91Å; W205-Q777 HydrophobicContact CH2-CB 3.83Å; W205-Q777 HydrophobicContact CZ2-CB 3.75Å; W205-Q777 HydrophobicContact CZ3-CB 3.74Å; L773-Q777 WeakPolarHBondContact O-CG 3.48Å; L773-Q777 PolarHBondContact O-N 2.72Å; H774-Q777 PolarHBondContact O-N 3.01Å; Q777-E780 PolarHBondContact O-N 3.3Å; Q777-D781 PolarHBondContact O-N 3.42Å
778T88.6Confident88.6Confident58 Ų5833.3 Ų33.336%0.35617%0.166SC..Hα-helixtrans-65.6-40.6175.8-61.90000112H774 V775 I776 E780 T782H774-T778 PolarHBondContact CE1-OG1 3.24Å; H774-T778 WeakPolarHBondContact O-CB 3.29Å; H774-T778 PolarHBondContact O-N 3.15Å; H774-T778 PolarHBondContact O-OG1 3.4Å; V775-T778 PolarHBondContact O-N 3.14Å; I776-T778 VanDerWaalsContact C-N 3.35Å; I776-T778 PolarHBondContact O-N 3.42Å; T778-E780 VanDerWaalsContact C-N 3.33Å; T778-T782 VanDerWaalsContact O-CB 3.32Å; T778-T782 WeakPolarHBondContact O-CB 3.47Å; T778-T782 PolarHBondContact O-N 3.12Å; T778-T782 PolarHBondContact O-OG1 3.5Å
779L86.2Confident88.6Confident42 Ų4239.2 Ų39.222%0.2219%0.189CC..Hα-helixtrans-62.5-40.6171.3-73.3175000111.7R613 I615 L618 V775 I776 T783R613-L779 HydrophobicContact CB-CD1 4.42Å; I615-L779 HydrophobicContact CG1-CD1 4.02Å; L618-L779 HydrophobicContact CD1-CD1 4Å; L618-L779 HydrophobicContact CD1-CD2 3.82Å; L618-L779 HydrophobicContact CD1-CG 4.15Å; V775-L779 HydrophobicContact CG1-CD1 4.43Å; V775-L779 WeakPolarHBondContact O-CG 3.28Å; V775-L779 PolarHBondContact O-N 3.39Å; I776-L779 PolarHBondContact O-N 2.91Å; L779-T783 WeakPolarHBondContact O-CB 3.44Å; L779-T783 PolarHBondContact O-N 3.36Å; L779-T783 PolarHBondContact O-OG1 3.23Å
780E85.3Confident88.8Confident3 Ų338.3 Ų38.31%0.01419%0.187CC..Hα-helixtrans-70.1-40.6179.7-75.9-65126.800113.2F255 R613 I776 Q777 T778 T783 K784 K810 Q838 Y839F255-E780 HydrophobicContact CD1-CG 4.01Å; F255-E780 VanDerWaalsContact CE1-CD 3.47Å; F255-E780 HydrophobicContact CE1-CG 3.61Å; R613-E780 IonicContact CZ-OE1 2.66Å; R613-E780 IonicContact NH1-OE1 3.97Å; R613-E780 PolarHBondContact NH1-OE1 2.96Å; I776-E780 WeakPolarHBondContact O-CB 3.44Å; I776-E780 VanDerWaalsContact O-CG 3.25Å; I776-E780 WeakPolarHBondContact O-CG 3.25Å; I776-E780 PolarHBondContact O-N 3.12Å; Q777-E780 PolarHBondContact O-N 3.3Å; T778-E780 VanDerWaalsContact C-N 3.33Å; E780-T783 WeakPolarHBondContact O-CB 3.45Å; E780-T783 PolarHBondContact O-N 2.97Å; E780-K784 WeakPolarHBondContact O-CB 3.11Å; E780-K784 PolarHBondContact O-N 2.84Å; E780-K810 IonicContact OE2-NZ 3.55Å; E780-K810 PolarHBondContact OE2-NZ 3.48Å; E780-Q838 PolarHBondContact OE1-NE2 3.42Å; E780-Q838 PolarHBondContact OE2-NE2 3.29Å; E780-Y839 PolarHBondContact OE2-OH 2.97Å
781D88.1Confident89Confident54 Ų5434.6 Ų34.629%0.28917%0.173SC..Hα-helixtrans-66.5-43.6173.1-162.781.1000110.4W205 Q777 T783 K784 Q785W205-D781 HydrophobicContact CH2-CB 4Å; W205-D781 HydrophobicContact CZ2-CB 4.34Å; Q777-D781 PolarHBondContact O-N 3.42Å; D781-T783 VanDerWaalsContact C-N 3.25Å; D781-T783 PolarHBondContact O-N 2.77Å; D781-K784 CarbonylContact O-C 3.46Å; D781-K784 WeakPolarHBondContact O-CB 3.29Å; D781-K784 PolarHBondContact O-N 3.35Å; D781-K784 VanDerWaalsContact O-N 3.12Å; D781-K784 WeakPolarHBondContact OD1-CE 3.18Å; D781-K784 IonicContact OD1-NZ 2.65Å; D781-K784 PolarHBondContact OD1-NZ 3.07Å; D781-Q785 WeakPolarHBondContact O-CG 3.26Å; D781-Q785 PolarHBondContact O-N 2.91Å; D781-Q785 PolarHBondContact OD2-NE2 3.09Å; D781-Q785 VanDerWaalsContact OD2-NE2 3.16Å
782T88.6Confident89Confident73 Ų7336.4 Ų36.445%0.44819%0.187SC..Hα-helixtrans-56.3-41.2173.3-58.60000111.6T778 N786T778-T782 VanDerWaalsContact O-CB 3.32Å; T778-T782 WeakPolarHBondContact O-CB 3.47Å; T778-T782 PolarHBondContact O-N 3.12Å; T778-T782 PolarHBondContact O-OG1 3.5Å; T782-N786 PolarHBondContact O-N 3.05Å; T782-N786 VanDerWaalsContact O-N 3.09Å; T782-N786 PolarHBondContact O-ND2 3.42Å
783T86.2Confident89Confident22 Ų2242 Ų4214%0.13521%0.213CC..Hα-helixtrans-65.1-47.5176.2-61.10000111L779 E780 D781 Q785 N786 V787L779-T783 WeakPolarHBondContact O-CB 3.44Å; L779-T783 PolarHBondContact O-N 3.36Å; L779-T783 PolarHBondContact O-OG1 3.23Å; E780-T783 WeakPolarHBondContact O-CB 3.45Å; E780-T783 PolarHBondContact O-N 2.97Å; D781-T783 VanDerWaalsContact C-N 3.25Å; D781-T783 PolarHBondContact O-N 2.77Å; T783-Q785 PolarHBondContact O-N 3.21Å; T783-N786 WeakPolarHBondContact O-CB 3.46Å; T783-N786 PolarHBondContact O-N 2.74Å; T783-V787 WeakPolarHBondContact O-CG2 3.46Å; T783-V787 PolarHBondContact O-N 2.96Å
784K89.4Confident88.9Confident19 Ų1944.9 Ų44.98%0.08323%0.229CC..Hα-helixtrans-57.1-47.9174.1174.4-174.563.9166.90111.9E780 D781 N786 V787 I788 D803 Y806E780-K784 WeakPolarHBondContact O-CB 3.11Å; E780-K784 PolarHBondContact O-N 2.84Å; D781-K784 CarbonylContact O-C 3.46Å; D781-K784 WeakPolarHBondContact O-CB 3.29Å; D781-K784 PolarHBondContact O-N 3.35Å; D781-K784 VanDerWaalsContact O-N 3.12Å; D781-K784 WeakPolarHBondContact OD1-CE 3.18Å; D781-K784 IonicContact OD1-NZ 2.65Å; D781-K784 PolarHBondContact OD1-NZ 3.07Å; K784-N786 VanDerWaalsContact C-N 3.27Å; K784-N786 PolarHBondContact O-N 3.44Å; K784-V787 WeakPolarHBondContact O-CB 3.23Å; K784-V787 PolarHBondContact O-N 2.95Å; K784-V787 VanDerWaalsContact O-N 3.12Å; K784-I788 HydrophobicContact CD-CD1 4.1Å; K784-I788 HydrophobicContact CG-CD1 3.62Å; K784-I788 HydrophobicContact CG-CG1 4.22Å; K784-I788 WeakPolarHBondContact O-CG1 3.33Å; K784-I788 PolarHBondContact O-N 3.02Å; K784-D803 WeakPolarHBondContact CD-OD1 3.26Å; K784-D803 WeakPolarHBondContact CE-OD1 3.43Å; K784-D803 IonicContact NZ-OD1 3.55Å; K784-D803 PolarHBondContact NZ-OD1 3.19Å; K784-D803 IonicContact NZ-OD2 3.49Å; K784-Y806 HydrophobicContact CB-CD1 4.02Å; K784-Y806 HydrophobicContact CB-CE1 3.61Å; K784-Y806 HydrophobicContact CD-CD1 3.54Å; K784-Y806 HydrophobicContact CD-CE1 3.96Å; K784-Y806 HydrophobicContact CD-CG 4.21Å; K784-Y806 HydrophobicContact CG-CD1 3.43Å; K784-Y806 VanDerWaalsContact CG-CD1 3.43Å; K784-Y806 HydrophobicContact CG-CD2 4.38Å; K784-Y806 HydrophobicContact CG-CE1 3.6Å; K784-Y806 HydrophobicContact CG-CG 3.84Å
785Q91.3Very high88.9Confident78 Ų7842.3 Ų42.336%0.36422%0.218SC..Hα-helixtrans-61.4-37.2178.8-61.7-48-3000111.5D781 T783 R789D781-Q785 WeakPolarHBondContact O-CG 3.26Å; D781-Q785 PolarHBondContact O-N 2.91Å; D781-Q785 PolarHBondContact OD2-NE2 3.09Å; D781-Q785 VanDerWaalsContact OD2-NE2 3.16Å; T783-Q785 PolarHBondContact O-N 3.21Å; Q785-R789 WeakPolarHBondContact O-CB 3.29Å; Q785-R789 PolarHBondContact O-N 2.9Å
786N89.9Confident88.9Confident44 Ų4448.1 Ų48.124%0.23524%0.238CC..Hα-helixtrans-65.2-42.5173.4-77.5-56.3000112.5T782 T783 K784 R789 V790 Y835T782-N786 PolarHBondContact O-N 3.05Å; T782-N786 VanDerWaalsContact O-N 3.09Å; T782-N786 PolarHBondContact O-ND2 3.42Å; T783-N786 WeakPolarHBondContact O-CB 3.46Å; T783-N786 PolarHBondContact O-N 2.74Å; K784-N786 VanDerWaalsContact C-N 3.27Å; K784-N786 PolarHBondContact O-N 3.44Å; N786-R789 PolarHBondContact OD1-NH2 3.21Å; N786-V790 PolarHBondContact O-N 2.98Å; N786-Y835 HydrophobicContact CB-CD1 4.45Å; N786-Y835 HydrophobicContact CB-CD2 4.05Å; N786-Y835 HydrophobicContact CB-CE2 4.26Å; N786-Y835 HydrophobicContact CB-CG 4.17Å
787V89.5Confident89.2Confident1 Ų148.6 Ų48.61%0.00624%0.24CC..Hα-helixtrans-58.9-54.4172.8171.10000110.9T783 K784 R789 V790 V791 Y806 Y835 L836 F883T783-V787 WeakPolarHBondContact O-CG2 3.46Å; T783-V787 PolarHBondContact O-N 2.96Å; K784-V787 WeakPolarHBondContact O-CB 3.23Å; K784-V787 PolarHBondContact O-N 2.95Å; K784-V787 VanDerWaalsContact O-N 3.12Å; V787-R789 VanDerWaalsContact C-N 3.31Å; V787-R789 PolarHBondContact O-N 3.13Å; V787-V790 PolarHBondContact O-N 3.36Å; V787-V790 VanDerWaalsContact O-N 3.17Å; V787-V791 HydrophobicContact CG1-CG2 4.25Å; V787-V791 WeakPolarHBondContact O-CG2 3.36Å; V787-V791 PolarHBondContact O-N 3.21Å; V787-Y806 HydrophobicContact CB-CD2 4.47Å; V787-Y806 HydrophobicContact CB-CE2 4.02Å; V787-Y806 HydrophobicContact CG1-CD2 3.96Å; V787-Y806 HydrophobicContact CG1-CE2 3.81Å; V787-Y806 HydrophobicContact CG2-CE2 4.06Å; V787-Y835 HydrophobicContact CB-CD2 4.43Å; V787-Y835 HydrophobicContact CG2-CD2 3.72Å; V787-Y835 HydrophobicContact CG2-CG 4.4Å; V787-Y835 WeakPolarHBondContact CG2-O 3.25Å; V787-L836 HydrophobicContact CB-CD2 4.43Å; V787-L836 HydrophobicContact CG1-CD2 4.06Å; V787-L836 HydrophobicContact CG2-CD2 4.31Å; V787-F883 HydrophobicContact CG1-CD1 3.39Å; V787-F883 HydrophobicContact CG1-CE1 3.98Å; V787-F883 HydrophobicContact CG1-CG 4.28Å
788I91.9Very high89.4Confident5 Ų551.8 Ų51.83%0.02626%0.26CS..Hα-helixtrans-59.1-44.1-178.1-68.1172.2000110.3K784 V790 V791 S792 L802 D803K784-I788 HydrophobicContact CD-CD1 4.1Å; K784-I788 HydrophobicContact CG-CD1 3.62Å; K784-I788 HydrophobicContact CG-CG1 4.22Å; K784-I788 WeakPolarHBondContact O-CG1 3.33Å; K784-I788 PolarHBondContact O-N 3.02Å; I788-V790 VanDerWaalsContact C-N 3.32Å; I788-V790 PolarHBondContact O-N 3.33Å; I788-V791 PolarHBondContact O-N 2.73Å; I788-S792 WeakPolarHBondContact O-CB 3.3Å; I788-S792 PolarHBondContact O-N 2.74Å; I788-S792 PolarHBondContact O-OG 3.39Å; I788-S792 VanDerWaalsContact O-OG 3.12Å; I788-L802 HydrophobicContact CG1-CB 4.25Å; I788-L802 HydrophobicContact CG2-CB 3.91Å; I788-L802 HydrophobicContact CG2-CD1 4.16Å; I788-D803 HydrophobicContact CD1-CB 3.96Å
789R90.9Very high89.5Confident148 Ų14852.5 Ų52.556%0.55827%0.268SS*.Hα-helixtrans-58-42177.9-17618065.4-174.9-4.4112.1Q785 N786 V787 S792Q785-R789 WeakPolarHBondContact O-CB 3.29Å; Q785-R789 PolarHBondContact O-N 2.9Å; N786-R789 PolarHBondContact OD1-NH2 3.21Å; V787-R789 VanDerWaalsContact C-N 3.31Å; V787-R789 PolarHBondContact O-N 3.13Å; R789-S792 PolarHBondContact O-OG 2.65Å
790V89.8Confident89.8Confident27 Ų2754.1 Ų54.116%0.16428%0.283CS..Hα-helixtrans-71.4-51.8177.3173.10000110.9N786 V787 I788 S792 Q793 Y835 L836N786-V790 PolarHBondContact O-N 2.98Å; V787-V790 PolarHBondContact O-N 3.36Å; V787-V790 VanDerWaalsContact O-N 3.17Å; I788-V790 VanDerWaalsContact C-N 3.32Å; I788-V790 PolarHBondContact O-N 3.33Å; V790-S792 VanDerWaalsContact C-N 3.27Å; V790-S792 PolarHBondContact O-N 3.07Å; V790-Q793 WeakPolarHBondContact O-CB 3.15Å; V790-Q793 PolarHBondContact O-N 3.24Å; V790-Q793 VanDerWaalsContact O-N 3.11Å; V790-Y835 HydrophobicContact CB-CE2 4.45Å; V790-Y835 HydrophobicContact CG2-CE2 3.86Å; V790-Y835 WeakPolarHBondContact CG2-OH 3.34Å; V790-L836 HydrophobicContact CG1-CD1 4.29Å
791V90.6Very high90.1Very high1 Ų155.8 Ų55.81%0.00629%0.291CS..Hα-helixtrans-60.8-34.9-177.7175.90000112.2V787 I788 Q793 D794 V795 L802 L836 F883 K884 C887V787-V791 HydrophobicContact CG1-CG2 4.25Å; V787-V791 WeakPolarHBondContact O-CG2 3.36Å; V787-V791 PolarHBondContact O-N 3.21Å; I788-V791 PolarHBondContact O-N 2.73Å; V791-Q793 PolarHBondContact O-N 3.41Å; V791-Q793 VanDerWaalsContact O-N 3.15Å; V791-D794 WeakPolarHBondContact O-CB 3.33Å; V791-D794 PolarHBondContact O-N 3.12Å; V791-V795 HydrophobicContact CG1-CG1 4.36Å; V791-V795 HydrophobicContact CG1-CG2 3.93Å; V791-V795 WeakPolarHBondContact O-CG2 3.35Å; V791-V795 PolarHBondContact O-N 3.09Å; V791-L802 HydrophobicContact CG1-CD2 4.08Å; V791-L836 HydrophobicContact CG2-CD2 4.25Å; V791-F883 HydrophobicContact CG1-CE1 4.48Å; V791-F883 HydrophobicContact CG2-CD1 4.14Å; V791-F883 HydrophobicContact CG2-CE1 4.43Å; V791-K884 HydrophobicContact CG2-CB 3.83Å; V791-K884 HydrophobicContact CG2-CG 4.17Å; V791-C887 HydrophobicContact CG1-CB 3.75Å
792S91.9Very high90.4Very high52 Ų5253.2 Ų53.236%0.36428%0.277SS..THydrogen-bonded Turntrans-65-13.117870.80000115.4I788 R789 V790 D794I788-S792 WeakPolarHBondContact O-CB 3.3Å; I788-S792 PolarHBondContact O-N 2.74Å; I788-S792 PolarHBondContact O-OG 3.39Å; I788-S792 VanDerWaalsContact O-OG 3.12Å; R789-S792 PolarHBondContact O-OG 2.65Å; V790-S792 VanDerWaalsContact C-N 3.27Å; V790-S792 PolarHBondContact O-N 3.07Å; S792-D794 VanDerWaalsContact C-N 3.29Å
793Q89.4Confident90.6Very high152 Ų15251.7 Ų51.771%0.7127%0.266SS*.THydrogen-bonded Turntrans-78.4-22.1172.2-61.3178.48.700111.6V790 V791V790-Q793 WeakPolarHBondContact O-CB 3.15Å; V790-Q793 PolarHBondContact O-N 3.24Å; V790-Q793 VanDerWaalsContact O-N 3.11Å; V791-Q793 PolarHBondContact O-N 3.41Å; V791-Q793 VanDerWaalsContact O-N 3.15Å
794D86.2Confident90.9Very high65 Ų6553 Ų5335%0.34827%0.27SS..THydrogen-bonded Turntrans-110.3-15.5-165.7-73.6-50.9000113.8V791 S792 K884 Y888V791-D794 WeakPolarHBondContact O-CB 3.33Å; V791-D794 PolarHBondContact O-N 3.12Å; S792-D794 VanDerWaalsContact C-N 3.29Å; D794-K884 VanDerWaalsContact OD2-CE 3.31Å; D794-K884 WeakPolarHBondContact OD2-CE 3.39Å; D794-K884 IonicContact OD2-NZ 3.73Å; D794-K884 PolarHBondContact OD2-NZ 3.48Å; D794-Y888 HydrophobicContact CB-CE1 3.62Å; D794-Y888 WeakPolarHBondContact CB-OH 3.4Å; D794-Y888 PolarHBondContact OD1-OH 3.04Å; D794-Y888 PolarHBondContact OD2-OH 3.39Å
795V90.3Very high91.1Very high13 Ų1352.1 Ų52.18%0.07927%0.266CS..SBendtrans-133.4160.2-177.3-54.10000111.9V791 F797 L802 C887 Y888 D891V791-V795 HydrophobicContact CG1-CG1 4.36Å; V791-V795 HydrophobicContact CG1-CG2 3.93Å; V791-V795 WeakPolarHBondContact O-CG2 3.35Å; V791-V795 PolarHBondContact O-N 3.09Å; V795-F797 HydrophobicContact CB-CD2 4.32Å; V795-F797 HydrophobicContact CG2-CB 4.24Å; V795-F797 HydrophobicContact CG2-CD2 3.96Å; V795-L802 HydrophobicContact CG2-CD1 4.23Å; V795-L802 HydrophobicContact CG2-CD2 3.96Å; V795-C887 HydrophobicContact CG1-CB 4.3Å; V795-Y888 HydrophobicContact CG1-CD1 3.95Å; V795-Y888 HydrophobicContact CG1-CE1 4.36Å; V795-D891 HydrophobicContact CB-CB 3.94Å; V795-D891 HydrophobicContact CG1-CB 4.03Å
796R89.5Confident91.2Very high136 Ų13648.6 Ų48.651%0.51325%0.25SC..  trans-91.10.8-176-61.6163.6-71.7-169.8-10.7114.3D891R796-D891 VanDerWaalsContact CB-OD1 3.31Å; R796-D891 WeakPolarHBondContact CB-OD1 3.45Å; R796-D891 IonicContact CZ-OD1 3.17Å; R796-D891 IonicContact CZ-OD2 3.99Å; R796-D891 PolarHBondContact N-OD1 2.73Å; R796-D891 IonicContact NE-OD1 3.6Å; R796-D891 PolarHBondContact NE-OD1 3.1Å; R796-D891 IonicContact NE-OD2 3.87Å; R796-D891 PolarHBondContact NE-OD2 3.07Å; R796-D891 PolarHBondContact NH2-O 2.95Å; R796-D891 IonicContact NH2-OD1 2.82Å; R796-D891 IonicContact NH2-OD2 3.7Å; R796-D891 PolarHBondContact NH2-OD2 3.38Å
797F91.3Very high91.2Very high17 Ų1749.9 Ų49.98%0.07526%0.257CS..  trans-65.7141.7175.3-64.4-53.5000111V795 Q801 L802 L805 L890 D891 Y894 I1118V795-F797 HydrophobicContact CB-CD2 4.32Å; V795-F797 HydrophobicContact CG2-CB 4.24Å; V795-F797 HydrophobicContact CG2-CD2 3.96Å; F797-Q801 HydrophobicContact CB-CB 4.19Å; F797-L802 HydrophobicContact CB-CD2 3.84Å; F797-L802 HydrophobicContact CB-CG 3.84Å; F797-L802 HydrophobicContact CD2-CD2 4.11Å; F797-L802 HydrophobicContact CG-CD2 4.42Å; F797-L805 HydrophobicContact CD2-CD1 4.02Å; F797-L805 HydrophobicContact CE2-CD1 4.17Å; F797-L805 HydrophobicContact CG-CD1 4.33Å; F797-L890 HydrophobicContact CE2-CB 3.98Å; F797-L890 HydrophobicContact CZ-CB 3.92Å; F797-D891 HydrophobicContact CD2-CB 4.37Å; F797-D891 HydrophobicContact CE2-CB 3.79Å; F797-D891 HydrophobicContact CZ-CB 4.21Å; F797-Y894 HydrophobicContact CE1-CG 4.48Å; F797-Y894 HydrophobicContact CZ-CD2 4.34Å; F797-I1118 HydrophobicContact CD1-CD1 4.19Å; F797-I1118 HydrophobicContact CD1-CG2 4.36Å; F797-I1118 HydrophobicContact CE1-CB 4.49Å; F797-I1118 HydrophobicContact CE1-CD1 3.44Å; F797-I1118 VanDerWaalsContact CE1-CD1 3.44Å; F797-I1118 HydrophobicContact CE1-CG2 4.22Å; F797-I1118 HydrophobicContact CZ-CD1 3.68Å
798T92.1Very high91.2Very high77 Ų7750.4 Ų50.447%0.47226%0.26SS..  trans-70.5157.5174.7670000110.6S800 Q801 L802T798-S800 PolarHBondContact O-N 3.2Å; T798-Q801 VanDerWaalsContact N-OE1 3.08Å; T798-Q801 WeakPolarHBondContact O-CB 3.4Å; T798-Q801 PolarHBondContact O-N 2.73Å; T798-Q801 WeakPolarHBondContact OG1-CG 3.46Å; T798-Q801 PolarHBondContact OG1-N 3.04Å; T798-Q801 PolarHBondContact OG1-OE1 3.24Å; T798-L802 PolarHBondContact O-N 2.91Å
799S91.1Very high91.2Very high74 Ų7450.2 Ų50.252%0.51726%0.258SS..Hα-helixtrans-52.4-40.8176.7-179.90000112.6Q801 L802 D803S799-Q801 PolarHBondContact O-N 3.37Å; S799-L802 PolarHBondContact O-N 2.71Å; S799-D803 PolarHBondContact O-N 2.89Å
800S92.1Very high91.1Very high76 Ų7644.3 Ų44.353%0.53124%0.237SC..Hα-helixtrans-62.1-38.6175-170.80000113.4T798 E804T798-S800 PolarHBondContact O-N 3.2Å; S800-E804 PolarHBondContact O-N 2.78Å; S800-E804 VanDerWaalsContact O-N 3.16Å
801Q93Very high91Very high38 Ų3844.8 Ų44.818%0.17824%0.236CC..Hα-helixtrans-72-35.9177.5-72.6167.4-21.100111.5F797 T798 S799 L805 I1118 L1122F797-Q801 HydrophobicContact CB-CB 4.19Å; T798-Q801 VanDerWaalsContact N-OE1 3.08Å; T798-Q801 WeakPolarHBondContact O-CB 3.4Å; T798-Q801 PolarHBondContact O-N 2.73Å; T798-Q801 WeakPolarHBondContact OG1-CG 3.46Å; T798-Q801 PolarHBondContact OG1-N 3.04Å; T798-Q801 PolarHBondContact OG1-OE1 3.24Å; S799-Q801 PolarHBondContact O-N 3.37Å; Q801-L805 VanDerWaalsContact O-CB 3.29Å; Q801-L805 WeakPolarHBondContact O-CB 3.45Å; Q801-L805 VanDerWaalsContact O-CG 3.23Å; Q801-L805 WeakPolarHBondContact O-CG 3.42Å; Q801-L805 PolarHBondContact O-N 3.5Å; Q801-I1118 HydrophobicContact CG-CG2 4.31Å; Q801-L1122 HydrophobicContact CB-CD1 4.5Å; Q801-L1122 HydrophobicContact CG-CD1 4.36Å
802L94.3Very high90.8Very high0 Ų044.9 Ų44.90%024%0.236CC..Hα-helixtrans-68.4-36.7174.8-70.4174.9000112.2I788 V791 V795 F797 T798 S799 L805 Y806 F883I788-L802 HydrophobicContact CG1-CB 4.25Å; I788-L802 HydrophobicContact CG2-CB 3.91Å; I788-L802 HydrophobicContact CG2-CD1 4.16Å; V791-L802 HydrophobicContact CG1-CD2 4.08Å; V795-L802 HydrophobicContact CG2-CD1 4.23Å; V795-L802 HydrophobicContact CG2-CD2 3.96Å; F797-L802 HydrophobicContact CB-CD2 3.84Å; F797-L802 HydrophobicContact CB-CG 3.84Å; F797-L802 HydrophobicContact CD2-CD2 4.11Å; F797-L802 HydrophobicContact CG-CD2 4.42Å; T798-L802 PolarHBondContact O-N 2.91Å; S799-L802 PolarHBondContact O-N 2.71Å; L802-L805 HydrophobicContact CD2-CD1 4.44Å; L802-L805 PolarHBondContact O-N 3.44Å; L802-Y806 VanDerWaalsContact O-CB 3.25Å; L802-Y806 WeakPolarHBondContact O-CB 3.18Å; L802-Y806 PolarHBondContact O-N 2.93Å; L802-F883 HydrophobicContact CD2-CZ 4.47Å
803D92.8Very high90.5Very high41 Ų4142.6 Ų42.622%0.21922%0.22CC..Hα-helixtrans-63-50.6172.8-168.496000111.4K784 I788 S799 L805 Y806 N807K784-D803 WeakPolarHBondContact CD-OD1 3.26Å; K784-D803 WeakPolarHBondContact CE-OD1 3.43Å; K784-D803 IonicContact NZ-OD1 3.55Å; K784-D803 PolarHBondContact NZ-OD1 3.19Å; K784-D803 IonicContact NZ-OD2 3.49Å; I788-D803 HydrophobicContact CD1-CB 3.96Å; S799-D803 PolarHBondContact O-N 2.89Å; D803-L805 PolarHBondContact O-N 2.83Å; D803-Y806 PolarHBondContact O-N 3.07Å; D803-N807 PolarHBondContact O-N 3.3Å; D803-N807 PolarHBondContact O-ND2 3Å; D803-N807 PolarHBondContact OD2-ND2 3.09Å
804E91.6Very high90.3Very high49 Ų4935.4 Ų35.423%0.22919%0.186CC..Hα-helixtrans-58.2-44.4175.1-75.2-175.5-112.100112.5S800 N807 L808 Q1119 L1122S800-E804 PolarHBondContact O-N 2.78Å; S800-E804 VanDerWaalsContact O-N 3.16Å; E804-N807 PolarHBondContact O-N 3.33Å; E804-L808 VanDerWaalsContact O-CG 3.29Å; E804-L808 WeakPolarHBondContact O-CG 3.36Å; E804-L808 PolarHBondContact O-N 2.88Å; E804-L808 VanDerWaalsContact O-N 3.07Å; E804-Q1119 PolarHBondContact OE1-NE2 3.1Å; E804-L1122 HydrophobicContact CB-CD1 4.07Å; E804-L1122 HydrophobicContact CB-CD2 4.47Å
805L93.6Very high90Very high0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-62.1-43175.5-79.4169.2000112.1F797 Q801 L802 D803 L808 F809 L853 F883 F886 L890 I1118 L1122F797-L805 HydrophobicContact CD2-CD1 4.02Å; F797-L805 HydrophobicContact CE2-CD1 4.17Å; F797-L805 HydrophobicContact CG-CD1 4.33Å; Q801-L805 VanDerWaalsContact O-CB 3.29Å; Q801-L805 WeakPolarHBondContact O-CB 3.45Å; Q801-L805 VanDerWaalsContact O-CG 3.23Å; Q801-L805 WeakPolarHBondContact O-CG 3.42Å; Q801-L805 PolarHBondContact O-N 3.5Å; L802-L805 HydrophobicContact CD2-CD1 4.44Å; L802-L805 PolarHBondContact O-N 3.44Å; D803-L805 PolarHBondContact O-N 2.83Å; L805-L808 PolarHBondContact O-N 3.42Å; L805-F809 VanDerWaalsContact O-CB 3.29Å; L805-F809 WeakPolarHBondContact O-CB 3.07Å; L805-F809 PolarHBondContact O-N 3.03Å; L805-L853 HydrophobicContact CD2-CD1 3.72Å; L805-F883 HydrophobicContact CB-CE2 4.02Å; L805-F883 HydrophobicContact CB-CZ 4.1Å; L805-F886 HydrophobicContact CD2-CE1 4.49Å; L805-L890 HydrophobicContact CD2-CD1 3.78Å; L805-I1118 HydrophobicContact CD1-CD1 4.23Å; L805-I1118 HydrophobicContact CD2-CD1 4.41Å; L805-L1122 HydrophobicContact CD2-CD2 3.59Å; L805-L1122 HydrophobicContact CG-CD2 3.8Å
806Y92.8Very high89.3Confident4 Ų432.6 Ų32.62%0.01617%0.171CC..Hα-helixtrans-64.3-44.2179.8-174.7-86.4000111.2K784 V787 L802 D803 L808 F809 K810 Y839 F883K784-Y806 HydrophobicContact CB-CD1 4.02Å; K784-Y806 HydrophobicContact CB-CE1 3.61Å; K784-Y806 HydrophobicContact CD-CD1 3.54Å; K784-Y806 HydrophobicContact CD-CE1 3.96Å; K784-Y806 HydrophobicContact CD-CG 4.21Å; K784-Y806 HydrophobicContact CG-CD1 3.43Å; K784-Y806 VanDerWaalsContact CG-CD1 3.43Å; K784-Y806 HydrophobicContact CG-CD2 4.38Å; K784-Y806 HydrophobicContact CG-CE1 3.6Å; K784-Y806 HydrophobicContact CG-CG 3.84Å; V787-Y806 HydrophobicContact CB-CD2 4.47Å; V787-Y806 HydrophobicContact CB-CE2 4.02Å; V787-Y806 HydrophobicContact CG1-CD2 3.96Å; V787-Y806 HydrophobicContact CG1-CE2 3.81Å; V787-Y806 HydrophobicContact CG2-CE2 4.06Å; L802-Y806 VanDerWaalsContact O-CB 3.25Å; L802-Y806 WeakPolarHBondContact O-CB 3.18Å; L802-Y806 PolarHBondContact O-N 2.93Å; D803-Y806 PolarHBondContact O-N 3.07Å; Y806-L808 VanDerWaalsContact C-N 3.35Å; Y806-L808 PolarHBondContact O-N 3.28Å; Y806-F809 PolarHBondContact O-N 3.16Å; Y806-K810 HydrophobicContact CE1-CB 4.36Å; Y806-K810 HydrophobicContact CE1-CD 4.08Å; Y806-K810 WeakPolarHBondContact O-CB 3.48Å; Y806-K810 PolarHBondContact O-N 3.44Å; Y806-Y839 AromaticContact CZ-CD2 3.98Å; Y806-Y839 WeakPolarHBondContact OH-CD2 3.18Å; Y806-Y839 WeakPolarHBondContact OH-CE2 3.48Å; Y806-F883 AromaticContact CD2-CD1 3.84Å; Y806-F883 HydrophobicContact CD2-CD1 3.84Å; Y806-F883 HydrophobicContact CD2-CD2 4.1Å; Y806-F883 AromaticContact CD2-CE1 3.93Å; Y806-F883 HydrophobicContact CD2-CE1 3.93Å; Y806-F883 HydrophobicContact CD2-CE2 4.21Å; Y806-F883 AromaticContact CD2-CG 3.9Å; Y806-F883 HydrophobicContact CD2-CG 3.9Å; Y806-F883 HydrophobicContact CD2-CZ 4.11Å; Y806-F883 HydrophobicContact CG-CE2 4.49Å; Y806-F883 HydrophobicContact CG-CZ 4.41Å
807N89.7Confident88.7Confident72 Ų7226.2 Ų26.239%0.38515%0.148SC..Hα-helixtrans-62.3-42.7177.2-61.7-32.6000111.1D803 E804 F809 R811D803-N807 PolarHBondContact O-N 3.3Å; D803-N807 PolarHBondContact O-ND2 3Å; D803-N807 PolarHBondContact OD2-ND2 3.09Å; E804-N807 PolarHBondContact O-N 3.33Å; N807-F809 VanDerWaalsContact C-N 3.34Å; N807-F809 PolarHBondContact O-N 2.81Å; N807-R811 VanDerWaalsContact O-CB 3.27Å; N807-R811 WeakPolarHBondContact O-CB 3.5Å; N807-R811 PolarHBondContact O-N 3.41Å
808L91Very high88.2Confident12 Ų1225.5 Ų25.56%0.06315%0.145CC..Hα-helixtrans-63.4-36.9174.1-71.2172.5000112.8E804 L805 Y806 Q812 L849 L853 L1122 A1125 R1126 Q1129E804-L808 VanDerWaalsContact O-CG 3.29Å; E804-L808 WeakPolarHBondContact O-CG 3.36Å; E804-L808 PolarHBondContact O-N 2.88Å; E804-L808 VanDerWaalsContact O-N 3.07Å; L805-L808 PolarHBondContact O-N 3.42Å; Y806-L808 VanDerWaalsContact C-N 3.35Å; Y806-L808 PolarHBondContact O-N 3.28Å; L808-Q812 PolarHBondContact O-N 2.79Å; L808-L849 HydrophobicContact CB-CD1 4.32Å; L808-L853 HydrophobicContact CD1-CD2 4.42Å; L808-L1122 HydrophobicContact CD1-CD2 3.69Å; L808-A1125 HydrophobicContact CD1-CB 3.98Å; L808-A1125 HydrophobicContact CD2-CB 4.27Å; L808-R1126 HydrophobicContact CD2-CB 4.23Å; L808-Q1129 PolarHBondContact O-NE2 3.11Å
809F91.7Very high87.6Confident0 Ų023 Ų230%013%0.126CC..Hα-helixtrans-72-50179.2-177.3-84000111.8L805 Y806 N807 R811 Q812 H813 Y839 L841 L849 V881 F883 F886L805-F809 VanDerWaalsContact O-CB 3.29Å; L805-F809 WeakPolarHBondContact O-CB 3.07Å; L805-F809 PolarHBondContact O-N 3.03Å; Y806-F809 PolarHBondContact O-N 3.16Å; N807-F809 VanDerWaalsContact C-N 3.34Å; N807-F809 PolarHBondContact O-N 2.81Å; F809-R811 VanDerWaalsContact C-N 3.29Å; F809-R811 PolarHBondContact O-N 2.81Å; F809-Q812 PolarHBondContact O-N 3.23Å; F809-Q812 VanDerWaalsContact O-N 3.13Å; F809-H813 PolarHBondContact O-N 2.72Å; F809-Y839 WeakPolarHBondContact CE1-O 3.4Å; F809-L841 HydrophobicContact CD2-CD1 3.57Å; F809-L841 HydrophobicContact CD2-CG 4.01Å; F809-L841 HydrophobicContact CE1-CG 4.24Å; F809-L841 HydrophobicContact CE2-CB 4.43Å; F809-L841 HydrophobicContact CE2-CD1 3.52Å; F809-L841 HydrophobicContact CE2-CG 3.58Å; F809-L841 HydrophobicContact CG-CD1 4.27Å; F809-L841 HydrophobicContact CZ-CD1 4.18Å; F809-L841 HydrophobicContact CZ-CG 3.71Å; F809-L849 HydrophobicContact CB-CD2 4.24Å; F809-L849 HydrophobicContact CD2-CD2 4.18Å; F809-V881 WeakPolarHBondContact CZ-O 3.33Å; F809-F883 HydrophobicContact CB-CD2 3.84Å; F809-F883 HydrophobicContact CB-CE2 4.17Å; F809-F883 HydrophobicContact CD1-CB 4.18Å; F809-F883 HydrophobicContact CD1-CD2 4.01Å; F809-F883 HydrophobicContact CD2-CD2 4.04Å; F809-F883 HydrophobicContact CE1-CB 3.98Å; F809-F883 AromaticContact CG-CD2 3.72Å; F809-F883 HydrophobicContact CG-CD2 3.72Å; F809-F883 HydrophobicContact CZ-CB 4.2Å; F809-F886 HydrophobicContact CD2-CB 4.06Å; F809-F886 AromaticContact CD2-CD1 3.82Å; F809-F886 HydrophobicContact CD2-CD1 3.82Å; F809-F886 HydrophobicContact CD2-CD2 4.3Å; F809-F886 HydrophobicContact CD2-CE1 4.41Å; F809-F886 AromaticContact CD2-CG 3.78Å; F809-F886 HydrophobicContact CD2-CG 3.78Å; F809-F886 HydrophobicContact CE2-CB 3.69Å; F809-F886 HydrophobicContact CE2-CD1 4.33Å; F809-F886 HydrophobicContact CE2-CD2 4.25Å; F809-F886 AromaticContact CE2-CG 3.83Å; F809-F886 HydrophobicContact CE2-CG 3.83Å
810K88.8Confident86.9Confident25 Ų2523 Ų2311%0.10912%0.124CC..Hα-helixtrans-56.5-42.5174.5178.3170.9174165.90111.3E780 Y806 Q812 H813 F814 Y839E780-K810 IonicContact OE2-NZ 3.55Å; E780-K810 PolarHBondContact OE2-NZ 3.48Å; Y806-K810 HydrophobicContact CE1-CB 4.36Å; Y806-K810 HydrophobicContact CE1-CD 4.08Å; Y806-K810 WeakPolarHBondContact O-CB 3.48Å; Y806-K810 PolarHBondContact O-N 3.44Å; K810-Q812 PolarHBondContact O-N 3.22Å; K810-H813 WeakPolarHBondContact O-CB 3.47Å; K810-H813 PolarHBondContact O-N 2.85Å; K810-F814 HydrophobicContact CD-CE2 4.28Å; K810-F814 VanDerWaalsContact CE-CE2 3.41Å; K810-F814 HydrophobicContact CG-CD2 4.25Å; K810-F814 HydrophobicContact CG-CE2 3.87Å; K810-F814 HydrophobicContact CG-CZ 4.27Å; K810-F814 PolarHBondContact O-N 3.17Å; K810-F814 VanDerWaalsContact O-N 3.09Å; K810-Y839 HydrophobicContact CB-CD2 4.42Å; K810-Y839 HydrophobicContact CD-CD2 4.26Å; K810-Y839 HydrophobicContact CD-CE2 3.6Å; K810-Y839 VanDerWaalsContact CE-OH 3.31Å; K810-Y839 WeakPolarHBondContact CE-OH 3.39Å; K810-Y839 HydrophobicContact CG-CD2 4.2Å; K810-Y839 HydrophobicContact CG-CE2 3.9Å; K810-Y839 PolarHBondContact NZ-OH 3.09Å
811R86.6Confident85.7Confident36 Ų3622.3 Ų22.314%0.13611%0.113CC..Hα-helixtrans-60.7-43.8175.4-169.9173.3-133.7-173.87.5112.9E203 N807 F809 H813 F814 L815E203-R811 IonicContact OE1-CZ 3.6Å; E203-R811 VanDerWaalsContact OE1-CZ 3.26Å; E203-R811 IonicContact OE1-NE 3.77Å; E203-R811 PolarHBondContact OE1-NE 3.2Å; E203-R811 VanDerWaalsContact OE1-NE 3.16Å; E203-R811 IonicContact OE1-NH2 2.7Å; E203-R811 PolarHBondContact OE1-NH2 3.12Å; E203-R811 IonicContact OE2-NH2 3.6Å; E203-R811 PolarHBondContact OE2-NH2 3.39Å; N807-R811 VanDerWaalsContact O-CB 3.27Å; N807-R811 WeakPolarHBondContact O-CB 3.5Å; N807-R811 PolarHBondContact O-N 3.41Å; F809-R811 VanDerWaalsContact C-N 3.29Å; F809-R811 PolarHBondContact O-N 2.81Å; R811-H813 VanDerWaalsContact C-N 3.34Å; R811-H813 PolarHBondContact O-N 3.5Å; R811-F814 PolarHBondContact O-N 2.81Å; R811-L815 HydrophobicContact CG-CD1 4.05Å; R811-L815 HydrophobicContact CG-CG 4.36Å; R811-L815 WeakPolarHBondContact O-CB 3.23Å; R811-L815 VanDerWaalsContact O-CG 3.3Å; R811-L815 WeakPolarHBondContact O-CG 3.36Å; R811-L815 PolarHBondContact O-N 3.2Å
812Q86.7Confident84.6Confident4 Ų428.7 Ų28.72%0.01914%0.14CC..Hα-helixtrans-70-29.5178.4-79.8-76.747.800113.6L808 F809 K810 L841 L849 Q1129L808-Q812 PolarHBondContact O-N 2.79Å; F809-Q812 PolarHBondContact O-N 3.23Å; F809-Q812 VanDerWaalsContact O-N 3.13Å; K810-Q812 PolarHBondContact O-N 3.22Å; Q812-L841 HydrophobicContact CB-CD1 4.49Å; Q812-L841 HydrophobicContact CB-CD2 4.2Å; Q812-L849 HydrophobicContact CB-CD2 4.37Å; Q812-L849 HydrophobicContact CG-CB 4.15Å; Q812-L849 HydrophobicContact CG-CD1 4.26Å; Q812-L849 HydrophobicContact CG-CD2 4.36Å; Q812-L849 HydrophobicContact CG-CG 4.49Å; Q812-Q1129 HydrophobicContact CG-CG 4.24Å
813H85.8Confident83.5Confident3 Ų328.9 Ų28.91%0.01414%0.141CC..Hα-helixtrans-60.3-54.2168.6175.787.7000110.1F809 K810 R811 L815 S816 C817 Y839 Q840 L841F809-H813 PolarHBondContact O-N 2.72Å; K810-H813 WeakPolarHBondContact O-CB 3.47Å; K810-H813 PolarHBondContact O-N 2.85Å; R811-H813 VanDerWaalsContact C-N 3.34Å; R811-H813 PolarHBondContact O-N 3.5Å; H813-L815 PolarHBondContact O-N 2.88Å; H813-S816 WeakPolarHBondContact O-CB 3.4Å; H813-S816 PolarHBondContact O-N 3.15Å; H813-S816 VanDerWaalsContact O-N 3.12Å; H813-S816 PolarHBondContact O-OG 2.76Å; H813-C817 PolarHBondContact O-N 3.29Å; H813-C817 PolarHBondContact O-SG 3.41Å; H813-C817 VanDerWaalsContact O-SG 3.39Å; H813-Y839 AromaticContact CD2-CD1 3.43Å; H813-Y839 VanDerWaalsContact CD2-CD1 3.43Å; H813-Y839 WeakPolarHBondContact CD2-CD1 3.42Å; H813-Y839 AromaticContact CD2-CE1 3.88Å; H813-Y839 AromaticContact CG-CD1 3.92Å; H813-Y839 AromaticContact NE2-CD1 3.64Å; H813-Q840 PolarHBondContact ND1-O 2.64Å; H813-L841 HydrophobicContact CB-CD2 3.78Å
814F84.4Confident82.4Confident1 Ų130.4 Ų30.40%0.00415%0.153CC..Hα-helixtrans-65.1-37-179.3-67.3-26.2000114.6D202 L254 F255 K810 R811 S816 C817 Y818 Y839D202-F814 HydrophobicContact CB-CD2 4.49Å; D202-F814 HydrophobicContact CB-CE2 4.2Å; D202-F814 WeakPolarHBondContact OD2-CD2 2.83Å; D202-F814 WeakPolarHBondContact OD2-CE2 3.45Å; L254-F814 HydrophobicContact CB-CD1 4.29Å; L254-F814 HydrophobicContact CB-CE1 3.9Å; L254-F814 HydrophobicContact CB-CZ 4.35Å; L254-F814 HydrophobicContact CD1-CD1 4.29Å; L254-F814 HydrophobicContact CD1-CE1 4.49Å; L254-F814 HydrophobicContact CD1-CG 4.35Å; L254-F814 HydrophobicContact CD2-CD1 3.98Å; L254-F814 HydrophobicContact CD2-CE1 4.44Å; L254-F814 HydrophobicContact CG-CD1 4.41Å; L254-F814 HydrophobicContact CG-CE1 4.5Å; F255-F814 HydrophobicContact CE1-CE2 4.48Å; F255-F814 AromaticContact CE1-CZ 3.8Å; F255-F814 HydrophobicContact CE1-CZ 3.8Å; F255-F814 HydrophobicContact CE2-CE2 4.38Å; F255-F814 AromaticContact CE2-CZ 3.96Å; F255-F814 HydrophobicContact CE2-CZ 3.96Å; F255-F814 AromaticContact CZ-CE2 3.84Å; F255-F814 HydrophobicContact CZ-CE2 3.84Å; F255-F814 AromaticContact CZ-CZ 3.47Å; F255-F814 HydrophobicContact CZ-CZ 3.47Å; F255-F814 VanDerWaalsContact CZ-CZ 3.47Å; K810-F814 HydrophobicContact CD-CE2 4.28Å; K810-F814 VanDerWaalsContact CE-CE2 3.41Å; K810-F814 HydrophobicContact CG-CD2 4.25Å; K810-F814 HydrophobicContact CG-CE2 3.87Å; K810-F814 HydrophobicContact CG-CZ 4.27Å; K810-F814 PolarHBondContact O-N 3.17Å; K810-F814 VanDerWaalsContact O-N 3.09Å; R811-F814 PolarHBondContact O-N 2.81Å; F814-S816 PolarHBondContact O-N 3.05Å; F814-C817 WeakPolarHBondContact O-CA 3.44Å; F814-C817 WeakPolarHBondContact O-CB 3.5Å; F814-C817 PolarHBondContact O-N 3.05Å; F814-Y818 HydrophobicContact CB-CE1 3.93Å; F814-Y818 HydrophobicContact CB-CE2 4.37Å; F814-Y818 WeakPolarHBondContact O-CD1 3.2Å; F814-Y818 VanDerWaalsContact O-CG 3.22Å; F814-Y818 PolarHBondContact O-N 3.02Å; F814-Y839 AromaticContact CE1-CE1 3.67Å; F814-Y839 HydrophobicContact CE1-CE1 3.67Å; F814-Y839 AromaticContact CZ-CE1 3.83Å; F814-Y839 HydrophobicContact CZ-CE1 3.83Å; F814-Y839 AromaticContact CZ-CZ 3.93Å; F814-Y839 WeakPolarHBondContact CZ-OH 3.22Å
815L80.6Confident81.3Confident9 Ų928.1 Ų28.15%0.04714%0.143CC..Hα-helixtrans-59.8-14.9173.6-75.1169.9000113.8F183 R811 H813 Y818 W819 L1130 K1133F183-L815 HydrophobicContact CZ-CD2 4.38Å; R811-L815 HydrophobicContact CG-CD1 4.05Å; R811-L815 HydrophobicContact CG-CG 4.36Å; R811-L815 WeakPolarHBondContact O-CB 3.23Å; R811-L815 VanDerWaalsContact O-CG 3.3Å; R811-L815 WeakPolarHBondContact O-CG 3.36Å; R811-L815 PolarHBondContact O-N 3.2Å; H813-L815 PolarHBondContact O-N 2.88Å; L815-Y818 HydrophobicContact CD2-CD2 3.99Å; L815-Y818 HydrophobicContact CD2-CE2 3.88Å; L815-Y818 HydrophobicContact CG-CE2 4.34Å; L815-W819 HydrophobicContact CB-CZ3 4.24Å; L815-W819 HydrophobicContact CD2-CH2 3.6Å; L815-W819 HydrophobicContact CD2-CZ3 3.66Å; L815-W819 WeakPolarHBondContact O-CZ3 3.44Å; L815-L1130 HydrophobicContact CD2-CD2 4.32Å; L815-K1133 PolarHBondContact O-NZ 3.13Å; L815-K1133 VanDerWaalsContact O-NZ 3.12Å
816S75.3Confident80.2Confident10 Ų1029.4 Ų29.47%0.0715%0.149CC..Hα-helixtrans-88.9-41.7167.881.80000112.6H813 F814 Y818 T820 Q845H813-S816 WeakPolarHBondContact O-CB 3.4Å; H813-S816 PolarHBondContact O-N 3.15Å; H813-S816 VanDerWaalsContact O-N 3.12Å; H813-S816 PolarHBondContact O-OG 2.76Å; F814-S816 PolarHBondContact O-N 3.05Å; S816-Y818 VanDerWaalsContact C-N 3.31Å; S816-Y818 PolarHBondContact O-N 3.16Å; S816-T820 WeakPolarHBondContact O-CB 3.48Å; S816-T820 PolarHBondContact O-N 2.98Å; S816-Q845 VanDerWaalsContact CB-CD 3.44Å; S816-Q845 PolarHBondContact OG-NE2 2.97Å; S816-Q845 VanDerWaalsContact OG-NE2 3.1Å
817C77.8Confident79Confident3 Ų334.6 Ų34.62%0.0218%0.177CC..Hα-helixtrans-62.9-36.3-179.7-62.50000112R253 L254 H813 F814 W819 L826R253-C817 PolarHBondContact NH2-O 3.28Å; L254-C817 HydrophobicContact CD2-CB 3.55Å; H813-C817 PolarHBondContact O-N 3.29Å; H813-C817 PolarHBondContact O-SG 3.41Å; H813-C817 VanDerWaalsContact O-SG 3.39Å; F814-C817 WeakPolarHBondContact O-CA 3.44Å; F814-C817 WeakPolarHBondContact O-CB 3.5Å; F814-C817 PolarHBondContact O-N 3.05Å; C817-W819 PolarHBondContact O-N 3.47Å; C817-L826 HydrophobicContact CB-CD1 3.61Å
818Y80.9Confident77.8Confident2 Ų236.2 Ų36.21%0.00818%0.182CC..THydrogen-bonded Turntrans-57.8-37.4-177.8-65.5-26.2000114.8N182 F183 S200 D202 R253 L254 F814 L815 S816N182-Y818 HydrophobicContact CB-CD1 3.91Å; N182-Y818 HydrophobicContact CB-CD2 4.21Å; N182-Y818 HydrophobicContact CB-CE1 4.19Å; N182-Y818 HydrophobicContact CB-CG 3.94Å; N182-Y818 VanDerWaalsContact OD1-CD1 3.31Å; N182-Y818 WeakPolarHBondContact OD1-CD1 3.41Å; F183-Y818 HydrophobicContact CE1-CE2 4.28Å; F183-Y818 HydrophobicContact CE2-CD2 4.25Å; F183-Y818 HydrophobicContact CE2-CE2 4.25Å; F183-Y818 AromaticContact CZ-CD2 3.98Å; F183-Y818 HydrophobicContact CZ-CD2 3.98Å; F183-Y818 AromaticContact CZ-CE2 3.6Å; F183-Y818 HydrophobicContact CZ-CE2 3.6Å; S200-Y818 WeakPolarHBondContact CB-OH 3.39Å; D202-Y818 PolarHBondContact OD1-OH 2.96Å; R253-Y818 PolarHBondContact NH2-O 2.91Å; L254-Y818 HydrophobicContact CD1-CD1 4.33Å; L254-Y818 HydrophobicContact CD1-CE1 3.74Å; L254-Y818 HydrophobicContact CD2-CD1 4.37Å; L254-Y818 HydrophobicContact CD2-CE1 4.46Å; F814-Y818 HydrophobicContact CB-CE1 3.93Å; F814-Y818 HydrophobicContact CB-CE2 4.37Å; F814-Y818 WeakPolarHBondContact O-CD1 3.2Å; F814-Y818 VanDerWaalsContact O-CG 3.22Å; F814-Y818 PolarHBondContact O-N 3.02Å; L815-Y818 HydrophobicContact CD2-CD2 3.99Å; L815-Y818 HydrophobicContact CD2-CE2 3.88Å; L815-Y818 HydrophobicContact CG-CE2 4.34Å; S816-Y818 VanDerWaalsContact C-N 3.31Å; S816-Y818 PolarHBondContact O-N 3.16Å
819W79.8Confident76.8Confident23 Ų2336 Ų369%0.08718%0.181CC..THydrogen-bonded Turntrans-123.41.2-172.5-53.6-67.8000114.3P153 Q155 E156 F183 L815 C817 K1133P153-W819 HydrophobicContact CB-CZ2 4.26Å; P153-W819 HydrophobicContact CG-CD2 4.48Å; P153-W819 HydrophobicContact CG-CE3 4.37Å; P153-W819 HydrophobicContact CG-CH2 3.55Å; P153-W819 HydrophobicContact CG-CZ2 3.66Å; P153-W819 HydrophobicContact CG-CZ3 3.94Å; Q155-W819 HydrophobicContact CB-CB 4.12Å; Q155-W819 HydrophobicContact CB-CG 3.94Å; E156-W819 HydrophobicContact CB-CZ2 4.32Å; E156-W819 PolarHBondContact OE2-NE1 3.27Å; F183-W819 HydrophobicContact CE2-CH2 4.23Å; F183-W819 AromaticContact CE2-CZ2 3.89Å; F183-W819 HydrophobicContact CE2-CZ2 3.89Å; F183-W819 HydrophobicContact CZ-CH2 4.37Å; F183-W819 HydrophobicContact CZ-CZ2 4.48Å; L815-W819 HydrophobicContact CB-CZ3 4.24Å; L815-W819 HydrophobicContact CD2-CH2 3.6Å; L815-W819 HydrophobicContact CD2-CZ3 3.66Å; L815-W819 WeakPolarHBondContact O-CZ3 3.44Å; C817-W819 PolarHBondContact O-N 3.47Å; W819-K1133 HydrophobicContact CZ3-CD 4.33Å; W819-K1133 VanDerWaalsContact CZ3-NZ 3.28Å
820T75.6Confident75.4Confident75 Ų7539.1 Ų39.146%0.4620%0.197SC..  trans-130.794.5-178.4-53.30000111.1S816 K822 S823S816-T820 WeakPolarHBondContact O-CB 3.48Å; S816-T820 PolarHBondContact O-N 2.98Å; T820-K822 PolarHBondContact O-N 2.96Å; T820-K822 VanDerWaalsContact O-N 3.07Å; T820-S823 PolarHBondContact O-N 3.01Å; T820-S823 VanDerWaalsContact O-N 3.09Å
821M67.4Low74Confident62 Ų6239.4 Ų39.431%0.30520%0.202SC..THydrogen-bonded Turntrans-63.7-16.8-173.9-60.5-45.397.200114.6R253 P269 L826R253-M821 VanDerWaalsContact NH2-CE 3.3Å; P269-M821 WeakPolarHBondContact CD-SD 3.3Å; P269-M821 HydrophobicContact CG-CE 3.84Å; P269-M821 HydrophobicContact CG-SD 3.39Å; P269-M821 WeakPolarHBondContact CG-SD 3.41Å; M821-L826 WeakPolarHBondContact O-CD2 3.28Å
822K70.1Confident72.5Confident172 Ų17239.6 Ų39.675%0.74821%0.209SC*.THydrogen-bonded Turntrans-122.632.2178-59.5-175.2-179.7-178.10111.3T820T820-K822 PolarHBondContact O-N 2.96Å; T820-K822 VanDerWaalsContact O-N 3.07Å
823S70.9Confident71.5Confident4 Ų442.9 Ų42.93%0.02823%0.226CC..  trans-64.4141.417470.60000108.8T820 A825 L826 L827T820-S823 PolarHBondContact O-N 3.01Å; T820-S823 VanDerWaalsContact O-N 3.09Å; S823-A825 PolarHBondContact O-N 2.98Å; S823-L826 CarbonylContact O-C 3.57Å; S823-L826 WeakPolarHBondContact O-CA 3.48Å; S823-L826 PolarHBondContact O-N 3.09Å; S823-L826 WeakPolarHBondContact OG-CB 3.31Å; S823-L826 PolarHBondContact OG-N 2.96Å; S823-L827 WeakPolarHBondContact O-CG 3.38Å; S823-L827 PolarHBondContact O-N 2.85Å
824P70Confident70.5Confident72 Ų7244.3 Ų44.347%0.46824%0.238SC..Hα-helixtrans-53.2-42.4176.7-30.437.4000112L826 L827 H828 L880P824-L826 PolarHBondContact O-N 3.41Å; P824-L827 CarbonylContact O-C 3.59Å; P824-L827 PolarHBondContact O-N 3.09Å; P824-H828 WeakPolarHBondContact O-CB 3.38Å; P824-H828 PolarHBondContact O-CD2 2.71Å; P824-H828 PolarHBondContact O-N 3.46Å; P824-L880 HydrophobicContact CB-CD2 4.07Å
825A68.6Low69.5Low1 Ų148.5 Ų48.51%0.00826%0.255CS..Hα-helixtrans-54.7-45.8171.900000113.3S823 L827 H828 H829S823-A825 PolarHBondContact O-N 2.98Å; A825-L827 VanDerWaalsContact C-N 3.28Å; A825-L827 PolarHBondContact O-N 3.23Å; A825-H828 PolarHBondContact O-N 3.15Å; A825-H829 VanDerWaalsContact O-CB 3.22Å; A825-H829 WeakPolarHBondContact O-CB 3.43Å; A825-H829 PolarHBondContact O-N 3.3Å
826L68.9Low68.8Low27 Ų2749.9 Ų49.914%0.14126%0.262CS..Hα-helixtrans-79.6-3.2176.3-165.5127.2000113.9K257 C817 M821 S823 P824K257-L826 WeakPolarHBondContact CE-O 3.31Å; K257-L826 PolarHBondContact NZ-O 2.97Å; C817-L826 HydrophobicContact CB-CD1 3.61Å; M821-L826 WeakPolarHBondContact O-CD2 3.28Å; S823-L826 CarbonylContact O-C 3.57Å; S823-L826 WeakPolarHBondContact O-CA 3.48Å; S823-L826 PolarHBondContact O-N 3.09Å; S823-L826 WeakPolarHBondContact OG-CB 3.31Å; S823-L826 PolarHBondContact OG-N 2.96Å; P824-L826 PolarHBondContact O-N 3.41Å
827L68.3Low68.7Low113 Ų11352.7 Ų52.759%0.59227%0.274SS*.Hα-helixtrans-93.6-38.4165.4-66.4172.2000111.6S823 P824 A825S823-L827 WeakPolarHBondContact O-CG 3.38Å; S823-L827 PolarHBondContact O-N 2.85Å; P824-L827 CarbonylContact O-C 3.59Å; P824-L827 PolarHBondContact O-N 3.09Å; A825-L827 VanDerWaalsContact C-N 3.28Å; A825-L827 PolarHBondContact O-N 3.23Å
828H65.6Low68.5Low107 Ų10752.6 Ų52.650%0.49527%0.273SS..Hα-helixtrans-93.2-26.2-173.5-70.6-75.3000115.6P824 A825 D830 L880P824-H828 WeakPolarHBondContact O-CB 3.38Å; P824-H828 PolarHBondContact O-CD2 2.71Å; P824-H828 PolarHBondContact O-N 3.46Å; A825-H828 PolarHBondContact O-N 3.15Å; H828-D830 PolarHBondContact O-N 3.18Å; H828-L880 HydrophobicContact CB-CD1 3.64Å
829H68.3Low68.7Low7 Ų752.7 Ų52.73%0.03227%0.274CS..  trans-55.7114.1174.5166.9104.8000111.3L254 K257 A825 Q838L254-H829 PolarHBondContact O-NE2 3.37Å; K257-H829 WeakPolarHBondContact CE-O 3.42Å; K257-H829 VanDerWaalsContact NZ-N 3.13Å; K257-H829 PolarHBondContact NZ-O 3.4Å; A825-H829 VanDerWaalsContact O-CB 3.22Å; A825-H829 WeakPolarHBondContact O-CB 3.43Å; A825-H829 PolarHBondContact O-N 3.3Å; H829-Q838 PolarHBondContact ND1-O 2.88Å
830D62.9Low69Low65 Ų6552.5 Ų52.535%0.34827%0.274SS..  trans-118.2113.5170.8169.9-3.5000106.1H828 S832 L833H828-D830 PolarHBondContact O-N 3.18Å; D830-S832 VanDerWaalsContact CG-OG 3.27Å; D830-S832 PolarHBondContact O-N 3.22Å; D830-S832 WeakPolarHBondContact OD1-CA 3.48Å; D830-S832 VanDerWaalsContact OD1-CB 3.25Å; D830-S832 WeakPolarHBondContact OD1-CB 3.35Å; D830-S832 PolarHBondContact OD1-N 3.08Å; D830-S832 PolarHBondContact OD1-OG 3.08Å; D830-S832 PolarHBondContact OD2-OG 3.32Å; D830-L833 HydrophobicContact CB-CD1 3.9Å; D830-L833 HydrophobicContact CB-CG 3.83Å; D830-L833 WeakPolarHBondContact O-CB 3.48Å; D830-L833 PolarHBondContact O-N 3.12Å; D830-L833 VanDerWaalsContact O-N 3.08Å
831P60.2Low69.7Low31 Ų3149 Ų4920%0.20125%0.252CS..THydrogen-bonded Turntrans-67.30-176.530.7-37.2000113F255 R613F255-P831 WeakPolarHBondContact O-CB 3.46Å; F255-P831 WeakPolarHBondContact O-CG 3.44Å; R613-P831 PolarHBondContact NE-O 3.32Å; R613-P831 PolarHBondContact NH2-O 3.15Å
832S55.8Low70.6Confident41 Ų4146.5 Ų46.529%0.28724%0.242SC..THydrogen-bonded Turntrans-103.82.6175.279.60000115.4R612 D830R612-S832 VanDerWaalsContact CD-CB 3.41Å; R612-S832 VanDerWaalsContact NH1-CB 3.29Å; R612-S832 PolarHBondContact NH1-OG 2.72Å; D830-S832 VanDerWaalsContact CG-OG 3.27Å; D830-S832 PolarHBondContact O-N 3.22Å; D830-S832 WeakPolarHBondContact OD1-CA 3.48Å; D830-S832 VanDerWaalsContact OD1-CB 3.25Å; D830-S832 WeakPolarHBondContact OD1-CB 3.35Å; D830-S832 PolarHBondContact OD1-N 3.08Å; D830-S832 PolarHBondContact OD1-OG 3.08Å; D830-S832 PolarHBondContact OD2-OG 3.32Å
833L64.1Low71.5Confident73 Ų7341.8 Ų41.838%0.38222%0.222SC..SBendtrans-73.6173.4167.4-65.9174.4000111.9D830 E837D830-L833 HydrophobicContact CB-CD1 3.9Å; D830-L833 HydrophobicContact CB-CG 3.83Å; D830-L833 WeakPolarHBondContact O-CB 3.48Å; D830-L833 PolarHBondContact O-N 3.12Å; D830-L833 VanDerWaalsContact O-N 3.08Å; L833-E837 HydrophobicContact CB-CB 4.07Å; L833-E837 HydrophobicContact CD1-CB 4.31Å
834A64.4Low72.1Confident33 Ų3347.6 Ų47.627%0.27325%0.249SC..  trans-62.9151.2176.200000111.3L836 E837 Q838A834-L836 PolarHBondContact O-N 2.78Å; A834-E837 PolarHBondContact O-N 3.17Å; A834-Q838 PolarHBondContact O-N 3.19Å
835Y64.7Low72.9Confident88 Ų8845.2 Ų45.235%0.34523%0.231SC..THydrogen-bonded Turntrans-55.1-26.3-175.351-91000114.6N786 V787 V790N786-Y835 HydrophobicContact CB-CD1 4.45Å; N786-Y835 HydrophobicContact CB-CD2 4.05Å; N786-Y835 HydrophobicContact CB-CE2 4.26Å; N786-Y835 HydrophobicContact CB-CG 4.17Å; V787-Y835 HydrophobicContact CB-CD2 4.43Å; V787-Y835 HydrophobicContact CG2-CD2 3.72Å; V787-Y835 HydrophobicContact CG2-CG 4.4Å; V787-Y835 WeakPolarHBondContact CG2-O 3.25Å; V790-Y835 HydrophobicContact CB-CE2 4.45Å; V790-Y835 HydrophobicContact CG2-CE2 3.86Å; V790-Y835 WeakPolarHBondContact CG2-OH 3.34Å
836L66.6Low73.9Confident38 Ų3845.1 Ų45.120%0.19923%0.231CC..THydrogen-bonded Turntrans-73.4-29.3174.9-65.5171.5000113.6V787 V790 V791 A834V787-L836 HydrophobicContact CB-CD2 4.43Å; V787-L836 HydrophobicContact CG1-CD2 4.06Å; V787-L836 HydrophobicContact CG2-CD2 4.31Å; V790-L836 HydrophobicContact CG1-CD1 4.29Å; V791-L836 HydrophobicContact CG2-CD2 4.25Å; A834-L836 PolarHBondContact O-N 2.78Å
837E71.8Confident74.9Confident69 Ų6944.8 Ų44.832%0.32223%0.23SC..THydrogen-bonded Turntrans-94.5-12-173.8-63.6174.2162.100112.5L833 A834 Y839L833-E837 HydrophobicContact CB-CB 4.07Å; L833-E837 HydrophobicContact CD1-CB 4.31Å; A834-E837 PolarHBondContact O-N 3.17Å; E837-Y839 VanDerWaalsContact C-N 3.29Å; E837-Y839 PolarHBondContact O-N 2.83Å
838Q73.8Confident75.7Confident2 Ų241.4 Ų41.41%0.00921%0.212CC..SBendtrans-59.2-36.4-176.9179.7175.4-29.700113.3E780 H829 A834E780-Q838 PolarHBondContact OE1-NE2 3.42Å; E780-Q838 PolarHBondContact OE2-NE2 3.29Å; H829-Q838 PolarHBondContact ND1-O 2.88Å; A834-Q838 PolarHBondContact O-N 3.19Å
839Y84.6Confident76.9Confident4 Ų436.3 Ų36.32%0.01619%0.188CC..  trans-120.8124.9177.6-63.2-52.1000110.7F255 E780 Y806 F809 K810 H813 F814 E837F255-Y839 WeakPolarHBondContact CE1-OH 3.45Å; E780-Y839 PolarHBondContact OE2-OH 2.97Å; Y806-Y839 AromaticContact CZ-CD2 3.98Å; Y806-Y839 WeakPolarHBondContact OH-CD2 3.18Å; Y806-Y839 WeakPolarHBondContact OH-CE2 3.48Å; F809-Y839 WeakPolarHBondContact CE1-O 3.4Å; K810-Y839 HydrophobicContact CB-CD2 4.42Å; K810-Y839 HydrophobicContact CD-CD2 4.26Å; K810-Y839 HydrophobicContact CD-CE2 3.6Å; K810-Y839 VanDerWaalsContact CE-OH 3.31Å; K810-Y839 WeakPolarHBondContact CE-OH 3.39Å; K810-Y839 HydrophobicContact CG-CD2 4.2Å; K810-Y839 HydrophobicContact CG-CE2 3.9Å; K810-Y839 PolarHBondContact NZ-OH 3.09Å; H813-Y839 AromaticContact CD2-CD1 3.43Å; H813-Y839 VanDerWaalsContact CD2-CD1 3.43Å; H813-Y839 WeakPolarHBondContact CD2-CD1 3.42Å; H813-Y839 AromaticContact CD2-CE1 3.88Å; H813-Y839 AromaticContact CG-CD1 3.92Å; H813-Y839 AromaticContact NE2-CD1 3.64Å; F814-Y839 AromaticContact CE1-CE1 3.67Å; F814-Y839 HydrophobicContact CE1-CE1 3.67Å; F814-Y839 AromaticContact CZ-CE1 3.83Å; F814-Y839 HydrophobicContact CZ-CE1 3.83Å; F814-Y839 AromaticContact CZ-CZ 3.93Å; F814-Y839 WeakPolarHBondContact CZ-OH 3.22Å; E837-Y839 VanDerWaalsContact C-N 3.29Å; E837-Y839 PolarHBondContact O-N 2.83Å
840Q87.4Confident78Confident19 Ų1936 Ų369%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-137.4148.2178.1-51.2172.1-73.900110.3H813 L880 V881 N882H813-Q840 PolarHBondContact ND1-O 2.64Å; Q840-L880 HydrophobicContact CB-CB 3.89Å; Q840-L880 HydrophobicContact CB-CD1 4.48Å; Q840-V881 CarbonylContact C-O 3.6Å; Q840-V881 VanDerWaalsContact CA-O 3.23Å; Q840-V881 WeakPolarHBondContact CA-O 3.5Å; Q840-N882 HydrophobicContact CG-CB 4.37Å
841L89.4Confident79.1Confident0 Ų034.6 Ų34.60%018%0.182CC..EExtended strand (participates in β ladder)trans-108.4132.5176.9-61.1-175.3000110.9F809 Q812 H813 Q845 F846 L849 L880 V881F809-L841 HydrophobicContact CD2-CD1 3.57Å; F809-L841 HydrophobicContact CD2-CG 4.01Å; F809-L841 HydrophobicContact CE1-CG 4.24Å; F809-L841 HydrophobicContact CE2-CB 4.43Å; F809-L841 HydrophobicContact CE2-CD1 3.52Å; F809-L841 HydrophobicContact CE2-CG 3.58Å; F809-L841 HydrophobicContact CG-CD1 4.27Å; F809-L841 HydrophobicContact CZ-CD1 4.18Å; F809-L841 HydrophobicContact CZ-CG 3.71Å; Q812-L841 HydrophobicContact CB-CD1 4.49Å; Q812-L841 HydrophobicContact CB-CD2 4.2Å; H813-L841 HydrophobicContact CB-CD2 3.78Å; L841-Q845 HydrophobicContact CB-CB 4.12Å; L841-Q845 HydrophobicContact CD2-CB 3.98Å; L841-Q845 HydrophobicContact CG-CB 4.43Å; L841-F846 HydrophobicContact CB-CB 4.3Å; L841-L849 HydrophobicContact CD1-CD2 3.82Å; L841-L880 WeakPolarHBondContact O-CA 3.41Å; L841-V881 PolarHBondContact N-O 3.32Å; L841-V881 PolarHBondContact O-N 2.97Å
842G87.5Confident80.4Confident10 Ų1034.6 Ų34.610%0.10318%0.18CC..EExtended strand (participates in β ladder)trans-77.6162.4164.700000111.5Q844 Q845 F846G842-Q844 VanDerWaalsContact C-N 3.29Å; G842-Q844 PolarHBondContact O-N 3.49Å; G842-Q845 PolarHBondContact O-N 2.66Å; G842-F846 PolarHBondContact O-N 2.99Å
843F87.1Confident82Confident73 Ų7332.7 Ų32.732%0.3217%0.166SC..Hα-helixtrans-46.5-43.8-172.3170.8-118.2000115.2S847 L867 F870F843-S847 WeakPolarHBondContact O-CB 3.33Å; F843-S847 PolarHBondContact O-N 2.77Å; F843-L867 HydrophobicContact CD1-CD1 4.28Å; F843-L867 HydrophobicContact CD2-CD1 4.04Å; F843-L867 HydrophobicContact CE1-CD1 4.12Å; F843-L867 HydrophobicContact CE2-CB 3.78Å; F843-L867 HydrophobicContact CE2-CD1 3.91Å; F843-L867 HydrophobicContact CE2-CG 4.47Å; F843-L867 HydrophobicContact CG-CD1 4.25Å; F843-L867 HydrophobicContact CZ-CB 3.78Å; F843-L867 HydrophobicContact CZ-CD1 3.94Å; F843-L867 HydrophobicContact CZ-CG 4.41Å; F843-F870 HydrophobicContact CB-CD1 4.05Å; F843-F870 HydrophobicContact CB-CD2 4.29Å; F843-F870 HydrophobicContact CB-CE1 4.01Å; F843-F870 HydrophobicContact CB-CE2 4.22Å; F843-F870 HydrophobicContact CB-CG 4.2Å; F843-F870 HydrophobicContact CB-CZ 4.09Å; F843-F870 HydrophobicContact CD2-CB 3.9Å; F843-F870 HydrophobicContact CD2-CD1 4.27Å; F843-F870 HydrophobicContact CD2-CD2 4.31Å; F843-F870 AromaticContact CD2-CG 3.88Å; F843-F870 HydrophobicContact CD2-CG 3.88Å
844Q84.6Confident83.1Confident127 Ų12729.2 Ų29.259%0.59315%0.148SC*.Hα-helixtrans-61.6-47.5179.5-179.7178-11.200112.1G842 S847 E848G842-Q844 VanDerWaalsContact C-N 3.29Å; G842-Q844 PolarHBondContact O-N 3.49Å; Q844-S847 PolarHBondContact O-N 2.98Å; Q844-E848 WeakPolarHBondContact CG-OE1 3.21Å; Q844-E848 PolarHBondContact NE2-OE1 3.44Å; Q844-E848 WeakPolarHBondContact O-CG 3.06Å; Q844-E848 PolarHBondContact O-N 3.28Å
845Q86.4Confident84Confident21 Ų2128.7 Ų28.710%0.09814%0.142CC..Hα-helixtrans-67.7-42.3-178.2-58.3142.42600110.6S816 L841 G842 S847 E848 L849S816-Q845 VanDerWaalsContact CB-CD 3.44Å; S816-Q845 PolarHBondContact OG-NE2 2.97Å; S816-Q845 VanDerWaalsContact OG-NE2 3.1Å; L841-Q845 HydrophobicContact CB-CB 4.12Å; L841-Q845 HydrophobicContact CD2-CB 3.98Å; L841-Q845 HydrophobicContact CG-CB 4.43Å; G842-Q845 PolarHBondContact O-N 2.66Å; Q845-S847 VanDerWaalsContact C-N 3.35Å; Q845-S847 PolarHBondContact O-N 2.75Å; Q845-E848 PolarHBondContact O-N 3Å; Q845-L849 WeakPolarHBondContact O-CB 3.48Å; Q845-L849 PolarHBondContact O-N 2.99Å
846F90.5Very high84.6Confident0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-55.6-50.8172172.5-87.6000110.4L841 G842 E848 L849 F850 S866 V869 F870 I873 V881 F886L841-F846 HydrophobicContact CB-CB 4.3Å; G842-F846 PolarHBondContact O-N 2.99Å; F846-E848 PolarHBondContact O-N 3.45Å; F846-L849 PolarHBondContact O-N 3.5Å; F846-F850 HydrophobicContact CD1-CB 4.26Å; F846-F850 HydrophobicContact CE1-CB 3.83Å; F846-F850 HydrophobicContact CE1-CD1 4.38Å; F846-F850 HydrophobicContact CE1-CD2 4.12Å; F846-F850 AromaticContact CE1-CG 3.86Å; F846-F850 HydrophobicContact CE1-CG 3.86Å; F846-F850 HydrophobicContact CE2-CB 4.45Å; F846-F850 HydrophobicContact CE2-CD2 4.22Å; F846-F850 HydrophobicContact CZ-CB 3.91Å; F846-F850 AromaticContact CZ-CD2 3.53Å; F846-F850 HydrophobicContact CZ-CD2 3.53Å; F846-F850 HydrophobicContact CZ-CE2 4.18Å; F846-F850 AromaticContact CZ-CG 3.75Å; F846-F850 HydrophobicContact CZ-CG 3.75Å; F846-F850 WeakPolarHBondContact O-CB 3.26Å; F846-F850 PolarHBondContact O-N 2.86Å; F846-S866 WeakPolarHBondContact CE1-O 3.4Å; F846-V869 HydrophobicContact CE1-CB 4.39Å; F846-V869 HydrophobicContact CE1-CG1 4.23Å; F846-V869 HydrophobicContact CZ-CB 4.27Å; F846-V869 HydrophobicContact CZ-CG1 3.62Å; F846-F870 HydrophobicContact CB-CD2 3.67Å; F846-F870 HydrophobicContact CB-CE2 3.99Å; F846-F870 HydrophobicContact CD1-CB 3.94Å; F846-F870 AromaticContact CD1-CD2 3.79Å; F846-F870 HydrophobicContact CD1-CD2 3.79Å; F846-F870 HydrophobicContact CD1-CG 4.35Å; F846-F870 HydrophobicContact CD2-CD2 4.14Å; F846-F870 HydrophobicContact CE1-CB 4.09Å; F846-F870 AromaticContact CG-CD2 3.58Å; F846-F870 HydrophobicContact CG-CD2 3.58Å; F846-F870 HydrophobicContact CG-CE2 4.32Å; F846-I873 HydrophobicContact CE2-CD1 3.68Å; F846-I873 HydrophobicContact CZ-CD1 4.13Å; F846-V881 HydrophobicContact CD2-CG1 4.3Å; F846-F886 AromaticContact CD2-CD2 3.69Å; F846-F886 HydrophobicContact CD2-CD2 3.69Å; F846-F886 AromaticContact CD2-CE2 3.94Å; F846-F886 HydrophobicContact CD2-CE2 3.94Å; F846-F886 AromaticContact CE2-CD2 3.55Å; F846-F886 HydrophobicContact CE2-CD2 3.55Å; F846-F886 AromaticContact CE2-CE2 3.79Å; F846-F886 HydrophobicContact CE2-CE2 3.79Å
847S88.6Confident84.2Confident19 Ų1925.2 Ų25.213%0.13313%0.134CC..Hα-helixtrans-61.8-42.4-177.9-173.10000112.5F843 Q844 Q845 S851 S866F843-S847 WeakPolarHBondContact O-CB 3.33Å; F843-S847 PolarHBondContact O-N 2.77Å; Q844-S847 PolarHBondContact O-N 2.98Å; Q845-S847 VanDerWaalsContact C-N 3.35Å; Q845-S847 PolarHBondContact O-N 2.75Å; S847-S851 WeakPolarHBondContact O-CB 3.46Å; S847-S851 PolarHBondContact O-N 3Å; S847-S851 PolarHBondContact O-OG 2.97Å; S847-S866 WeakPolarHBondContact OG-CB 3.28Å
848E86.7Confident83.5Confident43 Ų4328.2 Ų28.220%0.20115%0.146CC..Hα-helixtrans-63.8-43.7175.8-72.8173.1-15900112Q844 Q845 F846Q844-E848 WeakPolarHBondContact CG-OE1 3.21Å; Q844-E848 PolarHBondContact NE2-OE1 3.44Å; Q844-E848 WeakPolarHBondContact O-CG 3.06Å; Q844-E848 PolarHBondContact O-N 3.28Å; Q845-E848 PolarHBondContact O-N 3Å; F846-E848 PolarHBondContact O-N 3.45Å
849L89.9Confident82.8Confident0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-71.7-45.6177.8-176.352.9000112.8L808 F809 Q812 L841 Q845 F846 S851 L852 L853 F886 Q1129L808-L849 HydrophobicContact CB-CD1 4.32Å; F809-L849 HydrophobicContact CB-CD2 4.24Å; F809-L849 HydrophobicContact CD2-CD2 4.18Å; Q812-L849 HydrophobicContact CB-CD2 4.37Å; Q812-L849 HydrophobicContact CG-CB 4.15Å; Q812-L849 HydrophobicContact CG-CD1 4.26Å; Q812-L849 HydrophobicContact CG-CD2 4.36Å; Q812-L849 HydrophobicContact CG-CG 4.49Å; L841-L849 HydrophobicContact CD1-CD2 3.82Å; Q845-L849 WeakPolarHBondContact O-CB 3.48Å; Q845-L849 PolarHBondContact O-N 2.99Å; F846-L849 PolarHBondContact O-N 3.5Å; L849-S851 PolarHBondContact O-N 3.29Å; L849-L852 WeakPolarHBondContact O-CB 3.23Å; L849-L852 PolarHBondContact O-N 3.05Å; L849-L853 HydrophobicContact CD1-CD1 3.73Å; L849-L853 HydrophobicContact CD1-CG 4.33Å; L849-L853 HydrophobicContact CG-CD1 4.04Å; L849-L853 PolarHBondContact O-N 3.03Å; L849-F886 HydrophobicContact CD2-CE1 4.02Å; L849-F886 HydrophobicContact CD2-CE2 4.15Å; L849-F886 HydrophobicContact CD2-CZ 3.69Å; L849-F886 HydrophobicContact CG-CE1 4.38Å; L849-F886 HydrophobicContact CG-CE2 4.24Å; L849-F886 HydrophobicContact CG-CZ 3.69Å; L849-Q1129 VanDerWaalsContact CD1-NE2 3.33Å
850F90.4Very high81.2Confident1 Ų131.9 Ų31.90%0.00418%0.176CC..Hα-helixtrans-62.7-41.5-179.6-176.2-94.3000111.1F846 L852 L853 E854 V869 L890 L893F846-F850 HydrophobicContact CD1-CB 4.26Å; F846-F850 HydrophobicContact CE1-CB 3.83Å; F846-F850 HydrophobicContact CE1-CD1 4.38Å; F846-F850 HydrophobicContact CE1-CD2 4.12Å; F846-F850 AromaticContact CE1-CG 3.86Å; F846-F850 HydrophobicContact CE1-CG 3.86Å; F846-F850 HydrophobicContact CE2-CB 4.45Å; F846-F850 HydrophobicContact CE2-CD2 4.22Å; F846-F850 HydrophobicContact CZ-CB 3.91Å; F846-F850 AromaticContact CZ-CD2 3.53Å; F846-F850 HydrophobicContact CZ-CD2 3.53Å; F846-F850 HydrophobicContact CZ-CE2 4.18Å; F846-F850 AromaticContact CZ-CG 3.75Å; F846-F850 HydrophobicContact CZ-CG 3.75Å; F846-F850 WeakPolarHBondContact O-CB 3.26Å; F846-F850 PolarHBondContact O-N 2.86Å; F850-L852 PolarHBondContact O-N 3.18Å; F850-L852 VanDerWaalsContact O-N 3.17Å; F850-L853 CarbonylContact O-C 3.58Å; F850-L853 PolarHBondContact O-N 3.4Å; F850-E854 HydrophobicContact CD1-CB 4.31Å; F850-E854 HydrophobicContact CE1-CB 3.98Å; F850-E854 HydrophobicContact CZ-CB 4.28Å; F850-E854 WeakPolarHBondContact O-CB 3.45Å; F850-E854 PolarHBondContact O-N 3.32Å; F850-V869 HydrophobicContact CE2-CG1 4.03Å; F850-V869 HydrophobicContact CZ-CB 4.44Å; F850-V869 HydrophobicContact CZ-CG1 4.22Å; F850-V869 HydrophobicContact CZ-CG2 4.05Å; F850-L890 HydrophobicContact CD2-CD2 4.2Å; F850-L890 HydrophobicContact CE2-CD2 4.19Å; F850-L893 HydrophobicContact CE2-CD1 3.57Å; F850-L893 HydrophobicContact CZ-CD1 3.53Å
851S87.3Confident79.9Confident34 Ų3432.9 Ų32.924%0.23819%0.186CC..Hα-helixtrans-61.1-24.6176.5-63.60000114.1S847 L849S847-S851 WeakPolarHBondContact O-CB 3.46Å; S847-S851 PolarHBondContact O-N 3Å; S847-S851 PolarHBondContact O-OG 2.97Å; L849-S851 PolarHBondContact O-N 3.29Å
852L87.3Confident78.8Confident32 Ų3236.1 Ų36.117%0.16820%0.2CC..Hα-helixtrans-78.9-41.4172.9-69.1169.5000111.5L849 F850 K1121 A1125 A1128 Q1129 L1132L849-L852 WeakPolarHBondContact O-CB 3.23Å; L849-L852 PolarHBondContact O-N 3.05Å; F850-L852 PolarHBondContact O-N 3.18Å; F850-L852 VanDerWaalsContact O-N 3.17Å; L852-K1121 PolarHBondContact O-NZ 3.44Å; L852-A1125 HydrophobicContact CB-CB 3.99Å; L852-A1125 HydrophobicContact CD1-CB 4.12Å; L852-A1128 HydrophobicContact CD1-CB 4.25Å; L852-A1128 HydrophobicContact CD2-CB 3.6Å; L852-Q1129 HydrophobicContact CD1-CG 4.06Å; L852-L1132 HydrophobicContact CD1-CD1 3.79Å; L852-L1132 HydrophobicContact CD2-CD1 3.98Å; L852-L1132 HydrophobicContact CG-CD1 4.03Å
853L89.8Confident77.8Confident0 Ų039.3 Ų39.30%022%0.22CC..Hα-helixtrans-93.8-16.3-169.7-63.9176.1000114.5L805 L808 L849 F850 F886 L890 Y894 K1121 L1122 A1125L805-L853 HydrophobicContact CD2-CD1 3.72Å; L808-L853 HydrophobicContact CD1-CD2 4.42Å; L849-L853 HydrophobicContact CD1-CD1 3.73Å; L849-L853 HydrophobicContact CD1-CG 4.33Å; L849-L853 HydrophobicContact CG-CD1 4.04Å; L849-L853 PolarHBondContact O-N 3.03Å; F850-L853 CarbonylContact O-C 3.58Å; F850-L853 PolarHBondContact O-N 3.4Å; L853-F886 HydrophobicContact CD1-CE1 4.09Å; L853-F886 HydrophobicContact CD1-CZ 4Å; L853-L890 HydrophobicContact CB-CD1 4.22Å; L853-L890 HydrophobicContact CB-CD2 4.16Å; L853-L890 HydrophobicContact CD1-CD1 4.03Å; L853-Y894 VanDerWaalsContact O-CE2 3.26Å; L853-Y894 WeakPolarHBondContact O-CE2 3.3Å; L853-Y894 PolarHBondContact O-OH 3.33Å; L853-K1121 HydrophobicContact CD2-CB 4.31Å; L853-L1122 HydrophobicContact CD2-CD2 3.95Å; L853-A1125 HydrophobicContact CD2-CB 3.83Å; L853-A1125 HydrophobicContact CG-CB 4.44Å
854E86.9Confident77.4Confident0 Ų037.9 Ų37.90%022%0.218CC..  trans-59.8138.8178.866.2176.4-178.600111.9F850 K862 K1121F850-E854 HydrophobicContact CD1-CB 4.31Å; F850-E854 HydrophobicContact CE1-CB 3.98Å; F850-E854 HydrophobicContact CZ-CB 4.28Å; F850-E854 WeakPolarHBondContact O-CB 3.45Å; F850-E854 PolarHBondContact O-N 3.32Å; E854-K862 WeakPolarHBondContact OE1-CD 3.5Å; E854-K862 WeakPolarHBondContact OE1-CE 3.48Å; E854-K862 IonicContact OE1-NZ 3.81Å; E854-K862 PolarHBondContact OE1-NZ 3.17Å; E854-K1121 WeakPolarHBondContact O-CE 3.46Å; E854-K1121 PolarHBondContact O-NZ 2.93Å
855P82.7Confident77.3Confident22 Ų2232 Ų3214%0.14319%0.191CC..SBendtrans-74.9-25.7176.528.7-32.9000112.7A857 L893 Y894 V1116P855-A857 VanDerWaalsContact C-N 3.25Å; P855-A857 PolarHBondContact O-N 3.21Å; P855-L893 HydrophobicContact CG-CB 3.88Å; P855-Y894 HydrophobicContact CB-CE1 4.33Å; P855-Y894 HydrophobicContact CG-CE2 4.42Å; P855-V1116 HydrophobicContact CB-CB 4.34Å; P855-V1116 HydrophobicContact CB-CG1 4.24Å; P855-V1116 HydrophobicContact CB-CG2 4.22Å
856W78.3Confident77.3Confident17 Ų1731 Ų316%0.06419%0.186CC..  trans-85.557-174.8-55.4-33.1000112.8F858 C859 L865 L893 L905 I1005 F1112W856-F858 PolarHBondContact O-N 3.12Å; W856-C859 PolarHBondContact O-N 2.9Å; W856-L865 HydrophobicContact CE3-CD2 3.92Å; W856-L865 HydrophobicContact CZ3-CD2 4.32Å; W856-L893 HydrophobicContact CD2-CD2 4.42Å; W856-L893 HydrophobicContact CE3-CD2 4.05Å; W856-L893 HydrophobicContact CH2-CD2 3.14Å; W856-L893 HydrophobicContact CZ2-CD2 3.57Å; W856-L893 HydrophobicContact CZ3-CD2 3.41Å; W856-L893 VanDerWaalsContact CZ3-CD2 3.41Å; W856-L905 HydrophobicContact CH2-CD1 4.04Å; W856-L905 HydrophobicContact CH2-CD2 3.57Å; W856-L905 HydrophobicContact CH2-CG 3.8Å; W856-L905 HydrophobicContact CZ2-CD1 4.47Å; W856-L905 HydrophobicContact CZ3-CD2 3.64Å; W856-L905 HydrophobicContact CZ3-CG 4.39Å; W856-I1005 HydrophobicContact CB-CG2 4.13Å; W856-I1005 HydrophobicContact CD2-CD1 4.19Å; W856-I1005 HydrophobicContact CD2-CG1 4.37Å; W856-I1005 HydrophobicContact CD2-CG2 3.93Å; W856-I1005 HydrophobicContact CE3-CD1 3.64Å; W856-I1005 HydrophobicContact CE3-CG1 4.05Å; W856-I1005 HydrophobicContact CE3-CG2 4.43Å; W856-I1005 HydrophobicContact CG-CG2 3.77Å; W856-I1005 HydrophobicContact CH2-CD1 4.35Å; W856-I1005 HydrophobicContact CZ3-CD1 3.73Å; W856-F1112 HydrophobicContact CZ2-CD1 4.36Å; W856-F1112 AromaticContact CZ2-CE1 3.82Å; W856-F1112 HydrophobicContact CZ2-CE1 3.82Å
857A57.4Low77.2Confident37 Ų3733.3 Ų33.331%0.30620%0.198SC..THydrogen-bonded Turntrans-59.6-15-163.200000116.6P855 K862P855-A857 VanDerWaalsContact C-N 3.25Å; P855-A857 PolarHBondContact O-N 3.21Å; A857-K862 VanDerWaalsContact O-CE 3.23Å; A857-K862 WeakPolarHBondContact O-CE 3.43Å; A857-K862 PolarHBondContact O-NZ 3.25Å
858F57.8Low77.2Confident132 Ų13233.7 Ų33.758%0.57920%0.196SC*.THydrogen-bonded Turntrans-102.56-174.1-60.1-75.1000114.9W856 A860 H1007W856-F858 PolarHBondContact O-N 3.12Å; F858-A860 PolarHBondContact O-N 2.87Å; F858-A860 VanDerWaalsContact O-N 3.12Å; F858-H1007 WeakPolarHBondContact CB-O 3.36Å
859C57.8Low77.3Confident10 Ų1031.7 Ų31.77%0.06819%0.187CC..  trans-55118.1179.9-177.30000112.6W856 S861 K862 N1004W856-C859 PolarHBondContact O-N 2.9Å; C859-S861 PolarHBondContact O-N 2.93Å; C859-S861 VanDerWaalsContact O-N 3.08Å; C859-K862 HydrophobicContact CB-CG 4.43Å; C859-K862 WeakPolarHBondContact O-CG 3.41Å; C859-N1004 WeakPolarHBondContact CA-O 3.44Å
860A52Low77.4Confident72 Ų7232.1 Ų32.160%0.59519%0.189SC*.THydrogen-bonded Turntrans-64.5-11.7-179.400000114.4F858F858-A860 PolarHBondContact O-N 2.87Å; F858-A860 VanDerWaalsContact O-N 3.12Å
861S58.9Low77.3Confident41 Ų4136.4 Ų36.429%0.28721%0.205SC..THydrogen-bonded Turntrans-13556.3-179.9-1550000113C859 S863 T864 L865C859-S861 PolarHBondContact O-N 2.93Å; C859-S861 VanDerWaalsContact O-N 3.08Å; S861-S863 PolarHBondContact O-N 3.1Å; S861-S863 VanDerWaalsContact O-N 3.16Å; S861-T864 PolarHBondContact O-N 3.15Å; S861-T864 PolarHBondContact OG-OG1 2.79Å; S861-L865 PolarHBondContact O-N 3.38Å
862K66.3Low77.4Confident67 Ų6736.3 Ų36.329%0.29120%0.202SC..Hα-helixtrans-51.5-36.8-178.4-58.1-162.5170-134.10114.7E854 A857 C859 T864 S866E854-K862 WeakPolarHBondContact OE1-CD 3.5Å; E854-K862 WeakPolarHBondContact OE1-CE 3.48Å; E854-K862 IonicContact OE1-NZ 3.81Å; E854-K862 PolarHBondContact OE1-NZ 3.17Å; A857-K862 VanDerWaalsContact O-CE 3.23Å; A857-K862 WeakPolarHBondContact O-CE 3.43Å; A857-K862 PolarHBondContact O-NZ 3.25Å; C859-K862 HydrophobicContact CB-CG 4.43Å; C859-K862 WeakPolarHBondContact O-CG 3.41Å; K862-T864 VanDerWaalsContact C-N 3.34Å; K862-T864 PolarHBondContact O-N 2.99Å; K862-S866 WeakPolarHBondContact O-CB 3.36Å; K862-S866 PolarHBondContact O-N 3.27Å; K862-S866 VanDerWaalsContact O-N 3.11Å; K862-S866 PolarHBondContact O-OG 3.47Å
863S67.5Low77.5Confident77 Ų7735.6 Ų35.654%0.53820%0.198SC..Hα-helixtrans-65.8-34.6179.351.60000113S861 L867S861-S863 PolarHBondContact O-N 3.1Å; S861-S863 VanDerWaalsContact O-N 3.16Å; S863-L867 PolarHBondContact O-N 3.44Å
864T78.7Confident77.4Confident44 Ų4436.3 Ų36.327%0.2720%0.202SC..Hα-helixtrans-76.6-44.4-180-46.30000111.6S861 K862 L867 W868S861-T864 PolarHBondContact O-N 3.15Å; S861-T864 PolarHBondContact OG-OG1 2.79Å; K862-T864 VanDerWaalsContact C-N 3.34Å; K862-T864 PolarHBondContact O-N 2.99Å; T864-L867 PolarHBondContact O-N 3.35Å; T864-W868 HydrophobicContact CG2-CD2 4.1Å; T864-W868 HydrophobicContact CG2-CE3 4.3Å; T864-W868 HydrophobicContact CG2-CH2 3.55Å; T864-W868 HydrophobicContact CG2-CZ2 3.32Å; T864-W868 HydrophobicContact CG2-CZ3 4.04Å; T864-W868 PolarHBondContact O-N 2.95Å; T864-W868 VanDerWaalsContact O-N 3.15Å
865L82.4Confident77Confident4 Ų442.8 Ų42.82%0.02123%0.232CC..Hα-helixtrans-61.5-46.7177.7-179.164.4000110.9W856 S861 L867 W868 V869 L908W856-L865 HydrophobicContact CE3-CD2 3.92Å; W856-L865 HydrophobicContact CZ3-CD2 4.32Å; S861-L865 PolarHBondContact O-N 3.38Å; L865-L867 VanDerWaalsContact C-N 3.25Å; L865-L867 PolarHBondContact O-N 3.35Å; L865-W868 PolarHBondContact O-N 2.92Å; L865-V869 HydrophobicContact CD1-CG2 4.35Å; L865-V869 HydrophobicContact CG-CG2 4.45Å; L865-V869 WeakPolarHBondContact O-CG2 3.42Å; L865-V869 PolarHBondContact O-N 3.26Å; L865-L908 HydrophobicContact CD1-CD1 3.77Å
866S86.4Confident76.9Confident0 Ų046.3 Ų46.30%025%0.25CC..Hα-helixtrans-57.8-37.4177-58.90000112.3F846 S847 K862 F870F846-S866 WeakPolarHBondContact CE1-O 3.4Å; S847-S866 WeakPolarHBondContact OG-CB 3.28Å; K862-S866 WeakPolarHBondContact O-CB 3.36Å; K862-S866 PolarHBondContact O-N 3.27Å; K862-S866 VanDerWaalsContact O-N 3.11Å; K862-S866 PolarHBondContact O-OG 3.47Å; S866-F870 VanDerWaalsContact O-CB 3.25Å; S866-F870 WeakPolarHBondContact O-CB 3.26Å; S866-F870 PolarHBondContact O-N 3.27Å
867L87.6Confident77Confident48 Ų4852.5 Ų52.525%0.25128%0.279SS..Hα-helixtrans-68.4-41.5178.8-179.862.4000112.5F843 S863 T864 L865 R871F843-L867 HydrophobicContact CD1-CD1 4.28Å; F843-L867 HydrophobicContact CD2-CD1 4.04Å; F843-L867 HydrophobicContact CE1-CD1 4.12Å; F843-L867 HydrophobicContact CE2-CB 3.78Å; F843-L867 HydrophobicContact CE2-CD1 3.91Å; F843-L867 HydrophobicContact CE2-CG 4.47Å; F843-L867 HydrophobicContact CG-CD1 4.25Å; F843-L867 HydrophobicContact CZ-CB 3.78Å; F843-L867 HydrophobicContact CZ-CD1 3.94Å; F843-L867 HydrophobicContact CZ-CG 4.41Å; S863-L867 PolarHBondContact O-N 3.44Å; T864-L867 PolarHBondContact O-N 3.35Å; L865-L867 VanDerWaalsContact C-N 3.25Å; L865-L867 PolarHBondContact O-N 3.35Å; L867-R871 HydrophobicContact CD1-CG 4.46Å; L867-R871 WeakPolarHBondContact O-CB 3.4Å; L867-R871 WeakPolarHBondContact O-CG 3.36Å; L867-R871 PolarHBondContact O-N 2.84Å; L867-R871 VanDerWaalsContact O-N 3.08Å
868W88.3Confident78.2Confident26 Ų2654 Ų5410%0.09828%0.282CS..Hα-helixtrans-70-38.8177.2-62.9-24.9000112T864 L865 L872 L908 H909 A913 F914 Q997T864-W868 HydrophobicContact CG2-CD2 4.1Å; T864-W868 HydrophobicContact CG2-CE3 4.3Å; T864-W868 HydrophobicContact CG2-CH2 3.55Å; T864-W868 HydrophobicContact CG2-CZ2 3.32Å; T864-W868 HydrophobicContact CG2-CZ3 4.04Å; T864-W868 PolarHBondContact O-N 2.95Å; T864-W868 VanDerWaalsContact O-N 3.15Å; L865-W868 PolarHBondContact O-N 2.92Å; W868-L872 VanDerWaalsContact O-CB 3.31Å; W868-L872 WeakPolarHBondContact O-CB 3.34Å; W868-L872 PolarHBondContact O-N 3.48Å; W868-L908 VanDerWaalsContact C-CD2 3.47Å; W868-L908 HydrophobicContact CB-CB 4.29Å; W868-L908 HydrophobicContact CB-CD2 3.95Å; W868-L908 WeakPolarHBondContact O-CD2 3.37Å; W868-H909 AromaticContact CZ3-NE2 3.85Å; W868-A913 HydrophobicContact CB-CB 4.23Å; W868-A913 WeakPolarHBondContact O-CB 3.43Å; W868-F914 AromaticContact CZ2-CD2 3.82Å; W868-F914 HydrophobicContact CZ2-CD2 3.82Å; W868-F914 HydrophobicContact CZ2-CE2 4.23Å; W868-Q997 HydrophobicContact CH2-CG 3.68Å; W868-Q997 HydrophobicContact CZ2-CG 4.26Å; W868-Q997 HydrophobicContact CZ3-CG 4.46Å
869V90.1Very high79.6Confident1 Ų149.3 Ų49.31%0.00627%0.272CS..Hα-helixtrans-62.8-48.6174.71740000110.2F846 F850 L865 R871 L872 I873 A889 F904 L908F846-V869 HydrophobicContact CE1-CB 4.39Å; F846-V869 HydrophobicContact CE1-CG1 4.23Å; F846-V869 HydrophobicContact CZ-CB 4.27Å; F846-V869 HydrophobicContact CZ-CG1 3.62Å; F850-V869 HydrophobicContact CE2-CG1 4.03Å; F850-V869 HydrophobicContact CZ-CB 4.44Å; F850-V869 HydrophobicContact CZ-CG1 4.22Å; F850-V869 HydrophobicContact CZ-CG2 4.05Å; L865-V869 HydrophobicContact CD1-CG2 4.35Å; L865-V869 HydrophobicContact CG-CG2 4.45Å; L865-V869 WeakPolarHBondContact O-CG2 3.42Å; L865-V869 PolarHBondContact O-N 3.26Å; V869-R871 PolarHBondContact O-N 2.85Å; V869-L872 PolarHBondContact O-N 3.43Å; V869-L872 VanDerWaalsContact O-N 3.1Å; V869-I873 HydrophobicContact CG1-CD1 4.29Å; V869-I873 WeakPolarHBondContact O-CG1 3.24Å; V869-I873 PolarHBondContact O-N 3.43Å; V869-I873 VanDerWaalsContact O-N 3.17Å; V869-A889 HydrophobicContact CG1-CB 4.16Å; V869-F904 HydrophobicContact CG1-CZ 4.1Å; V869-F904 HydrophobicContact CG2-CE1 4.07Å; V869-F904 HydrophobicContact CG2-CZ 4.22Å; V869-L908 HydrophobicContact CB-CD2 4.31Å; V869-L908 HydrophobicContact CG2-CD1 4.07Å; V869-L908 HydrophobicContact CG2-CD2 3.77Å
870F90.8Very high81Confident10 Ų1049 Ų494%0.04427%0.269CS..Hα-helixtrans-53.3-53.9177.2-175.3-92.4000111.9F843 F846 S866 L872 I873 D874 G879 V881F843-F870 HydrophobicContact CB-CD1 4.05Å; F843-F870 HydrophobicContact CB-CD2 4.29Å; F843-F870 HydrophobicContact CB-CE1 4.01Å; F843-F870 HydrophobicContact CB-CE2 4.22Å; F843-F870 HydrophobicContact CB-CG 4.2Å; F843-F870 HydrophobicContact CB-CZ 4.09Å; F843-F870 HydrophobicContact CD2-CB 3.9Å; F843-F870 HydrophobicContact CD2-CD1 4.27Å; F843-F870 HydrophobicContact CD2-CD2 4.31Å; F843-F870 AromaticContact CD2-CG 3.88Å; F843-F870 HydrophobicContact CD2-CG 3.88Å; F846-F870 HydrophobicContact CB-CD2 3.67Å; F846-F870 HydrophobicContact CB-CE2 3.99Å; F846-F870 HydrophobicContact CD1-CB 3.94Å; F846-F870 AromaticContact CD1-CD2 3.79Å; F846-F870 HydrophobicContact CD1-CD2 3.79Å; F846-F870 HydrophobicContact CD1-CG 4.35Å; F846-F870 HydrophobicContact CD2-CD2 4.14Å; F846-F870 HydrophobicContact CE1-CB 4.09Å; F846-F870 AromaticContact CG-CD2 3.58Å; F846-F870 HydrophobicContact CG-CD2 3.58Å; F846-F870 HydrophobicContact CG-CE2 4.32Å; S866-F870 VanDerWaalsContact O-CB 3.25Å; S866-F870 WeakPolarHBondContact O-CB 3.26Å; S866-F870 PolarHBondContact O-N 3.27Å; F870-L872 PolarHBondContact O-N 2.88Å; F870-I873 PolarHBondContact O-N 3.14Å; F870-D874 VanDerWaalsContact O-CB 3.28Å; F870-D874 WeakPolarHBondContact O-CB 3.05Å; F870-D874 PolarHBondContact O-N 3.04Å; F870-G879 WeakPolarHBondContact CZ-O 3.21Å; F870-V881 HydrophobicContact CD2-CB 4.41Å; F870-V881 HydrophobicContact CD2-CG2 3.61Å; F870-V881 HydrophobicContact CE2-CB 4.01Å; F870-V881 HydrophobicContact CE2-CG2 3.41Å; F870-V881 VanDerWaalsContact CE2-CG2 3.41Å; F870-V881 HydrophobicContact CG-CG2 4.35Å; F870-V881 HydrophobicContact CZ-CG2 3.98Å
871R89.2Confident82.8Confident90 Ų9045.5 Ų45.534%0.3424%0.241SC..Hα-helixtrans-64.5-22.7178.5-72.9176.1176.5-169.5-3.8114.7L867 V869 P912L867-R871 HydrophobicContact CD1-CG 4.46Å; L867-R871 WeakPolarHBondContact O-CB 3.4Å; L867-R871 WeakPolarHBondContact O-CG 3.36Å; L867-R871 PolarHBondContact O-N 2.84Å; L867-R871 VanDerWaalsContact O-N 3.08Å; V869-R871 PolarHBondContact O-N 2.85Å; R871-P912 WeakPolarHBondContact O-CG 3.3Å
872L88.9Confident84.3Confident33 Ų3344.7 Ų44.717%0.17323%0.233CC..Hα-helixtrans-80.5-31.9178.9-178.260.7000112W868 V869 F870 F904 K907 L908 A913W868-L872 VanDerWaalsContact O-CB 3.31Å; W868-L872 WeakPolarHBondContact O-CB 3.34Å; W868-L872 PolarHBondContact O-N 3.48Å; V869-L872 PolarHBondContact O-N 3.43Å; V869-L872 VanDerWaalsContact O-N 3.1Å; F870-L872 PolarHBondContact O-N 2.88Å; L872-F904 HydrophobicContact CD2-CD2 4.11Å; L872-F904 HydrophobicContact CD2-CE2 3.89Å; L872-F904 HydrophobicContact CD2-CZ 4.38Å; L872-K907 HydrophobicContact CD1-CB 3.97Å; L872-K907 HydrophobicContact CD1-CD 4.4Å; L872-K907 HydrophobicContact CD2-CB 3.75Å; L872-L908 HydrophobicContact CB-CD2 4.06Å; L872-L908 HydrophobicContact CD2-CD2 3.61Å; L872-L908 HydrophobicContact CD2-CG 4.13Å; L872-L908 HydrophobicContact CG-CD2 4.48Å; L872-A913 HydrophobicContact CB-CB 4.17Å
873I90Very high85.6Confident16 Ų1641.6 Ų41.68%0.08222%0.22CC..Hα-helixtrans-98.4-18.3-176.369.9-173.8000113.3F846 V869 F870 E875 V881 E885 A889F846-I873 HydrophobicContact CE2-CD1 3.68Å; F846-I873 HydrophobicContact CZ-CD1 4.13Å; V869-I873 HydrophobicContact CG1-CD1 4.29Å; V869-I873 WeakPolarHBondContact O-CG1 3.24Å; V869-I873 PolarHBondContact O-N 3.43Å; V869-I873 VanDerWaalsContact O-N 3.17Å; F870-I873 PolarHBondContact O-N 3.14Å; I873-E875 PolarHBondContact O-N 3.05Å; I873-V881 HydrophobicContact CD1-CG1 3.71Å; I873-V881 HydrophobicContact CD1-CG2 4.14Å; I873-V881 HydrophobicContact CG1-CG1 4.06Å; I873-V881 HydrophobicContact CG1-CG2 3.77Å; I873-E885 HydrophobicContact CB-CB 4.28Å; I873-E885 HydrophobicContact CG1-CB 4.44Å; I873-E885 WeakPolarHBondContact O-CG 3.24Å; I873-A889 HydrophobicContact CD1-CB 4.04Å; I873-A889 HydrophobicContact CG2-CB 4.26Å
874D87.6Confident86.7Confident15 Ų1540.2 Ų40.28%0.0820%0.204CC..  trans-67.870.7163-179.22.1000109.6F870 N876 Q877 D878 G879 V881F870-D874 VanDerWaalsContact O-CB 3.28Å; F870-D874 WeakPolarHBondContact O-CB 3.05Å; F870-D874 PolarHBondContact O-N 3.04Å; D874-N876 VanDerWaalsContact C-N 3.27Å; D874-N876 PolarHBondContact O-N 2.74Å; D874-N876 PolarHBondContact OD1-OD1 3.48Å; D874-N876 VanDerWaalsContact OD1-OD1 3.05Å; D874-Q877 PolarHBondContact O-N 2.64Å; D874-Q877 WeakPolarHBondContact OD1-CA 3.24Å; D874-Q877 PolarHBondContact OD1-N 3.02Å; D874-D878 PolarHBondContact OD1-N 2.9Å; D874-D878 VanDerWaalsContact OD1-N 3.14Å; D874-G879 WeakPolarHBondContact OD2-CA 3.48Å; D874-G879 PolarHBondContact OD2-N 3.43Å; D874-G879 VanDerWaalsContact OD2-N 3.15Å; D874-V881 HydrophobicContact CB-CG2 4.35Å
875E77.6Confident87.3Confident137 Ų13739.9 Ų39.964%0.6420%0.199SC*.SBendtrans-65.9-29.7-177.5-76.2-163.1-174.400112.2I873 K979I873-E875 PolarHBondContact O-N 3.05Å; E875-K979 VanDerWaalsContact CD-NZ 3.33Å; E875-K979 IonicContact OE1-NZ 3.28Å; E875-K979 PolarHBondContact OE1-NZ 3.26Å; E875-K979 VanDerWaalsContact OE1-NZ 3.17Å; E875-K979 IonicContact OE2-NZ 3.91Å; E875-K979 PolarHBondContact OE2-NZ 2.98Å
876N81.3Confident87.8Confident96 Ų9639.7 Ų39.751%0.51320%0.198SC..SBendtrans-89.2-11.6-177.173.9-1.5000113.5D874 D878D874-N876 VanDerWaalsContact C-N 3.27Å; D874-N876 PolarHBondContact O-N 2.74Å; D874-N876 PolarHBondContact OD1-OD1 3.48Å; D874-N876 VanDerWaalsContact OD1-OD1 3.05Å; N876-D878 VanDerWaalsContact C-N 3.31Å; N876-D878 VanDerWaalsContact ND2-CG 3.3Å; N876-D878 PolarHBondContact ND2-OD2 2.99Å; N876-D878 PolarHBondContact O-N 2.98Å; N876-D878 PolarHBondContact OD1-N 2.79Å; N876-D878 PolarHBondContact OD1-OD1 2.64Å; N876-D878 PolarHBondContact OD1-OD2 3.43Å
877Q80.9Confident88.2Confident146 Ų14639.7 Ų39.768%0.68220%0.198SC*.  trans6232.1179.9-54.9179.511.800113.6D874D874-Q877 PolarHBondContact O-N 2.64Å; D874-Q877 WeakPolarHBondContact OD1-CA 3.24Å; D874-Q877 PolarHBondContact OD1-N 3.02Å
878D82.3Confident88.3Confident68 Ų6841.4 Ų41.436%0.36420%0.202SC..SBendtrans-85.2-9.1176.177.113000113.4D874 N876 L880D874-D878 PolarHBondContact OD1-N 2.9Å; D874-D878 VanDerWaalsContact OD1-N 3.14Å; N876-D878 VanDerWaalsContact C-N 3.31Å; N876-D878 VanDerWaalsContact ND2-CG 3.3Å; N876-D878 PolarHBondContact ND2-OD2 2.99Å; N876-D878 PolarHBondContact O-N 2.98Å; N876-D878 PolarHBondContact OD1-N 2.79Å; N876-D878 PolarHBondContact OD1-OD1 2.64Å; N876-D878 PolarHBondContact OD1-OD2 3.43Å; D878-L880 WeakPolarHBondContact OD1-CA 3.44Å; D878-L880 WeakPolarHBondContact OD1-CB 3.43Å; D878-L880 PolarHBondContact OD1-N 3.39Å
879G86.2Confident88.4Confident35 Ų3540.2 Ų40.236%0.36120%0.197SC..SBendtrans8119.2-179.400000113.9F870 D874F870-G879 WeakPolarHBondContact CZ-O 3.21Å; D874-G879 WeakPolarHBondContact OD2-CA 3.48Å; D874-G879 PolarHBondContact OD2-N 3.43Å; D874-G879 VanDerWaalsContact OD2-N 3.15Å
880L88.1Confident88.5Confident2 Ų240.1 Ų40.11%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-132.2155.2176.1-56.5169.7000110.1P824 H828 Q840 L841 D878P824-L880 HydrophobicContact CB-CD2 4.07Å; H828-L880 HydrophobicContact CB-CD1 3.64Å; Q840-L880 HydrophobicContact CB-CB 3.89Å; Q840-L880 HydrophobicContact CB-CD1 4.48Å; L841-L880 WeakPolarHBondContact O-CA 3.41Å; D878-L880 WeakPolarHBondContact OD1-CA 3.44Å; D878-L880 WeakPolarHBondContact OD1-CB 3.43Å; D878-L880 PolarHBondContact OD1-N 3.39Å
881V90.4Very high88.5Confident0 Ų040.5 Ų40.50%020%0.2CC..EExtended strand (participates in β ladder)trans-128.6128177.9166.70000109.3F809 Q840 L841 F846 F870 I873 D874 E885 F886F809-V881 WeakPolarHBondContact CZ-O 3.33Å; Q840-V881 CarbonylContact C-O 3.6Å; Q840-V881 VanDerWaalsContact CA-O 3.23Å; Q840-V881 WeakPolarHBondContact CA-O 3.5Å; L841-V881 PolarHBondContact N-O 3.32Å; L841-V881 PolarHBondContact O-N 2.97Å; F846-V881 HydrophobicContact CD2-CG1 4.3Å; F870-V881 HydrophobicContact CD2-CB 4.41Å; F870-V881 HydrophobicContact CD2-CG2 3.61Å; F870-V881 HydrophobicContact CE2-CB 4.01Å; F870-V881 HydrophobicContact CE2-CG2 3.41Å; F870-V881 VanDerWaalsContact CE2-CG2 3.41Å; F870-V881 HydrophobicContact CG-CG2 4.35Å; F870-V881 HydrophobicContact CZ-CG2 3.98Å; I873-V881 HydrophobicContact CD1-CG1 3.71Å; I873-V881 HydrophobicContact CD1-CG2 4.14Å; I873-V881 HydrophobicContact CG1-CG1 4.06Å; I873-V881 HydrophobicContact CG1-CG2 3.77Å; D874-V881 HydrophobicContact CB-CG2 4.35Å; V881-E885 WeakPolarHBondContact CA-OE2 3.34Å; V881-E885 HydrophobicContact CG1-CB 3.83Å; V881-F886 HydrophobicContact CG1-CB 4.29Å
882N90.8Very high88.4Confident23 Ų2337.8 Ų37.812%0.12319%0.193CC..EExtended strand (participates in β ladder)trans-85.61731786951.1000112.7Q840 K884 E885 F886Q840-N882 HydrophobicContact CG-CB 4.37Å; N882-K884 VanDerWaalsContact C-N 3.31Å; N882-K884 PolarHBondContact O-N 3.47Å; N882-K884 WeakPolarHBondContact OD1-CA 3.45Å; N882-K884 WeakPolarHBondContact OD1-CB 3.25Å; N882-K884 PolarHBondContact OD1-N 2.76Å; N882-E885 VanDerWaalsContact CG-OE2 3.24Å; N882-E885 PolarHBondContact N-OE2 3.09Å; N882-E885 PolarHBondContact ND2-OE1 2.86Å; N882-E885 PolarHBondContact ND2-OE2 2.86Å; N882-E885 PolarHBondContact OD1-N 3.23Å; N882-F886 WeakPolarHBondContact O-CB 3.41Å; N882-F886 PolarHBondContact O-N 3.03Å; N882-F886 VanDerWaalsContact O-N 3.07Å
883F92.4Very high88.4Confident3 Ų336.3 Ų36.31%0.01319%0.185CC..Hα-helixtrans-64.7-31.6-176.6-178.1-107.5000113.8V787 V791 L802 L805 Y806 F809 C887V787-F883 HydrophobicContact CG1-CD1 3.39Å; V787-F883 HydrophobicContact CG1-CE1 3.98Å; V787-F883 HydrophobicContact CG1-CG 4.28Å; V791-F883 HydrophobicContact CG1-CE1 4.48Å; V791-F883 HydrophobicContact CG2-CD1 4.14Å; V791-F883 HydrophobicContact CG2-CE1 4.43Å; L802-F883 HydrophobicContact CD2-CZ 4.47Å; L805-F883 HydrophobicContact CB-CE2 4.02Å; L805-F883 HydrophobicContact CB-CZ 4.1Å; Y806-F883 AromaticContact CD2-CD1 3.84Å; Y806-F883 HydrophobicContact CD2-CD1 3.84Å; Y806-F883 HydrophobicContact CD2-CD2 4.1Å; Y806-F883 AromaticContact CD2-CE1 3.93Å; Y806-F883 HydrophobicContact CD2-CE1 3.93Å; Y806-F883 HydrophobicContact CD2-CE2 4.21Å; Y806-F883 AromaticContact CD2-CG 3.9Å; Y806-F883 HydrophobicContact CD2-CG 3.9Å; Y806-F883 HydrophobicContact CD2-CZ 4.11Å; Y806-F883 HydrophobicContact CG-CE2 4.49Å; Y806-F883 HydrophobicContact CG-CZ 4.41Å; F809-F883 HydrophobicContact CB-CD2 3.84Å; F809-F883 HydrophobicContact CB-CE2 4.17Å; F809-F883 HydrophobicContact CD1-CB 4.18Å; F809-F883 HydrophobicContact CD1-CD2 4.01Å; F809-F883 HydrophobicContact CD2-CD2 4.04Å; F809-F883 HydrophobicContact CE1-CB 3.98Å; F809-F883 AromaticContact CG-CD2 3.72Å; F809-F883 HydrophobicContact CG-CD2 3.72Å; F809-F883 HydrophobicContact CZ-CB 4.2Å; F883-C887 VanDerWaalsContact CE1-SG 3.56Å; F883-C887 VanDerWaalsContact CE2-SG 3.54Å; F883-C887 WeakPolarHBondContact CZ-SG 3.36Å; F883-C887 WeakPolarHBondContact O-CB 3.32Å; F883-C887 PolarHBondContact O-N 2.9Å; F883-C887 PolarHBondContact O-SG 3.46Å
884K91.1Very high88.3Confident48 Ų4836.8 Ų36.821%0.20919%0.186CC..Hα-helixtrans-69.6-49.9-179.7174.6164.5170.7158.40110.7V791 D794 N882 F886 C887 Y888V791-K884 HydrophobicContact CG2-CB 3.83Å; V791-K884 HydrophobicContact CG2-CG 4.17Å; D794-K884 VanDerWaalsContact OD2-CE 3.31Å; D794-K884 WeakPolarHBondContact OD2-CE 3.39Å; D794-K884 IonicContact OD2-NZ 3.73Å; D794-K884 PolarHBondContact OD2-NZ 3.48Å; N882-K884 VanDerWaalsContact C-N 3.31Å; N882-K884 PolarHBondContact O-N 3.47Å; N882-K884 WeakPolarHBondContact OD1-CA 3.45Å; N882-K884 WeakPolarHBondContact OD1-CB 3.25Å; N882-K884 PolarHBondContact OD1-N 2.76Å; K884-F886 VanDerWaalsContact C-N 3.33Å; K884-F886 PolarHBondContact O-N 3.39Å; K884-C887 PolarHBondContact O-N 3.49Å; K884-Y888 HydrophobicContact CD-CE2 4.08Å; K884-Y888 WeakPolarHBondContact CE-OH 3.44Å; K884-Y888 HydrophobicContact CG-CD2 3.93Å; K884-Y888 HydrophobicContact CG-CE2 3.52Å; K884-Y888 PolarHBondContact NZ-OH 3.08Å; K884-Y888 VanDerWaalsContact O-CD2 3.23Å; K884-Y888 WeakPolarHBondContact O-CD2 3.34Å; K884-Y888 PolarHBondContact O-N 2.81Å
885E91.5Very high88Confident37 Ų3736.4 Ų36.417%0.17319%0.186CC..Hα-helixtrans-56.2-45.2173-73.1148.8-164.400112.1I873 V881 N882 C887 Y888 A889I873-E885 HydrophobicContact CB-CB 4.28Å; I873-E885 HydrophobicContact CG1-CB 4.44Å; I873-E885 WeakPolarHBondContact O-CG 3.24Å; V881-E885 WeakPolarHBondContact CA-OE2 3.34Å; V881-E885 HydrophobicContact CG1-CB 3.83Å; N882-E885 VanDerWaalsContact CG-OE2 3.24Å; N882-E885 PolarHBondContact N-OE2 3.09Å; N882-E885 PolarHBondContact ND2-OE1 2.86Å; N882-E885 PolarHBondContact ND2-OE2 2.86Å; N882-E885 PolarHBondContact OD1-N 3.23Å; E885-C887 PolarHBondContact O-N 3.36Å; E885-Y888 PolarHBondContact O-N 3.38Å; E885-A889 PolarHBondContact O-N 2.88Å; E885-A889 VanDerWaalsContact O-N 3.09Å
886F93.3Very high87.8Confident0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-59.1-44.6176.3-173.4-99000112.3L805 F809 F846 L849 L853 V881 N882 K884 A889 L890L805-F886 HydrophobicContact CD2-CE1 4.49Å; F809-F886 HydrophobicContact CD2-CB 4.06Å; F809-F886 AromaticContact CD2-CD1 3.82Å; F809-F886 HydrophobicContact CD2-CD1 3.82Å; F809-F886 HydrophobicContact CD2-CD2 4.3Å; F809-F886 HydrophobicContact CD2-CE1 4.41Å; F809-F886 AromaticContact CD2-CG 3.78Å; F809-F886 HydrophobicContact CD2-CG 3.78Å; F809-F886 HydrophobicContact CE2-CB 3.69Å; F809-F886 HydrophobicContact CE2-CD1 4.33Å; F809-F886 HydrophobicContact CE2-CD2 4.25Å; F809-F886 AromaticContact CE2-CG 3.83Å; F809-F886 HydrophobicContact CE2-CG 3.83Å; F846-F886 AromaticContact CD2-CD2 3.69Å; F846-F886 HydrophobicContact CD2-CD2 3.69Å; F846-F886 AromaticContact CD2-CE2 3.94Å; F846-F886 HydrophobicContact CD2-CE2 3.94Å; F846-F886 AromaticContact CE2-CD2 3.55Å; F846-F886 HydrophobicContact CE2-CD2 3.55Å; F846-F886 AromaticContact CE2-CE2 3.79Å; F846-F886 HydrophobicContact CE2-CE2 3.79Å; L849-F886 HydrophobicContact CD2-CE1 4.02Å; L849-F886 HydrophobicContact CD2-CE2 4.15Å; L849-F886 HydrophobicContact CD2-CZ 3.69Å; L849-F886 HydrophobicContact CG-CE1 4.38Å; L849-F886 HydrophobicContact CG-CE2 4.24Å; L849-F886 HydrophobicContact CG-CZ 3.69Å; L853-F886 HydrophobicContact CD1-CE1 4.09Å; L853-F886 HydrophobicContact CD1-CZ 4Å; V881-F886 HydrophobicContact CG1-CB 4.29Å; N882-F886 WeakPolarHBondContact O-CB 3.41Å; N882-F886 PolarHBondContact O-N 3.03Å; N882-F886 VanDerWaalsContact O-N 3.07Å; K884-F886 VanDerWaalsContact C-N 3.33Å; K884-F886 PolarHBondContact O-N 3.39Å; F886-A889 PolarHBondContact O-N 2.87Å; F886-L890 HydrophobicContact CD1-CD1 4.08Å; F886-L890 HydrophobicContact CE1-CD1 3.39Å; F886-L890 HydrophobicContact CE1-CG 4.21Å; F886-L890 HydrophobicContact CZ-CD1 3.77Å; F886-L890 HydrophobicContact CZ-CG 4.31Å; F886-L890 PolarHBondContact O-N 3.49Å
887C93.4Very high87.9Confident0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-67.2-39.2177.9-72.30000112.9V791 V795 F883 K884 E885 A889 L890 D891V791-C887 HydrophobicContact CG1-CB 3.75Å; V795-C887 HydrophobicContact CG1-CB 4.3Å; F883-C887 VanDerWaalsContact CE1-SG 3.56Å; F883-C887 VanDerWaalsContact CE2-SG 3.54Å; F883-C887 WeakPolarHBondContact CZ-SG 3.36Å; F883-C887 WeakPolarHBondContact O-CB 3.32Å; F883-C887 PolarHBondContact O-N 2.9Å; F883-C887 PolarHBondContact O-SG 3.46Å; K884-C887 PolarHBondContact O-N 3.49Å; E885-C887 PolarHBondContact O-N 3.36Å; C887-A889 PolarHBondContact O-N 2.84Å; C887-L890 PolarHBondContact O-N 2.9Å; C887-D891 WeakPolarHBondContact O-CB 3.46Å; C887-D891 PolarHBondContact O-N 3.34Å
888Y90.2Very high88.1Confident83 Ų8323.8 Ų23.833%0.32513%0.133SC..Hα-helixtrans-61.2-42.4174.6-78.2-60.2000112.7D794 V795 K884 E885 L890 D891 T892D794-Y888 HydrophobicContact CB-CE1 3.62Å; D794-Y888 WeakPolarHBondContact CB-OH 3.4Å; D794-Y888 PolarHBondContact OD1-OH 3.04Å; D794-Y888 PolarHBondContact OD2-OH 3.39Å; V795-Y888 HydrophobicContact CG1-CD1 3.95Å; V795-Y888 HydrophobicContact CG1-CE1 4.36Å; K884-Y888 HydrophobicContact CD-CE2 4.08Å; K884-Y888 WeakPolarHBondContact CE-OH 3.44Å; K884-Y888 HydrophobicContact CG-CD2 3.93Å; K884-Y888 HydrophobicContact CG-CE2 3.52Å; K884-Y888 PolarHBondContact NZ-OH 3.08Å; K884-Y888 VanDerWaalsContact O-CD2 3.23Å; K884-Y888 WeakPolarHBondContact O-CD2 3.34Å; K884-Y888 PolarHBondContact O-N 2.81Å; E885-Y888 PolarHBondContact O-N 3.38Å; Y888-L890 VanDerWaalsContact C-N 3.35Å; Y888-L890 PolarHBondContact O-N 2.81Å; Y888-D891 PolarHBondContact O-N 2.81Å; Y888-T892 WeakPolarHBondContact O-CB 3.34Å; Y888-T892 PolarHBondContact O-N 3.34Å; Y888-T892 PolarHBondContact O-OG1 2.88Å
889A90.4Very high88.3Confident1 Ų122.4 Ų22.41%0.00813%0.127CC..Hα-helixtrans-58.9-48.4176.400000110.6V869 I873 E885 F886 C887 L893 F904V869-A889 HydrophobicContact CG1-CB 4.16Å; I873-A889 HydrophobicContact CD1-CB 4.04Å; I873-A889 HydrophobicContact CG2-CB 4.26Å; E885-A889 PolarHBondContact O-N 2.88Å; E885-A889 VanDerWaalsContact O-N 3.09Å; F886-A889 PolarHBondContact O-N 2.87Å; C887-A889 PolarHBondContact O-N 2.84Å; A889-L893 WeakPolarHBondContact O-CD1 3.39Å; A889-L893 VanDerWaalsContact O-CG 3.23Å; A889-L893 WeakPolarHBondContact O-CG 3.34Å; A889-L893 PolarHBondContact O-N 3.17Å; A889-F904 HydrophobicContact CB-CZ 4.49Å
890L91.6Very high88.2Confident0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-66.6-45.8177.9-68.4-176.9000112.8F797 L805 F850 L853 F886 C887 Y888 T892 L893 Y894F797-L890 HydrophobicContact CE2-CB 3.98Å; F797-L890 HydrophobicContact CZ-CB 3.92Å; L805-L890 HydrophobicContact CD2-CD1 3.78Å; F850-L890 HydrophobicContact CD2-CD2 4.2Å; F850-L890 HydrophobicContact CE2-CD2 4.19Å; L853-L890 HydrophobicContact CB-CD1 4.22Å; L853-L890 HydrophobicContact CB-CD2 4.16Å; L853-L890 HydrophobicContact CD1-CD1 4.03Å; F886-L890 HydrophobicContact CD1-CD1 4.08Å; F886-L890 HydrophobicContact CE1-CD1 3.39Å; F886-L890 HydrophobicContact CE1-CG 4.21Å; F886-L890 HydrophobicContact CZ-CD1 3.77Å; F886-L890 HydrophobicContact CZ-CG 4.31Å; F886-L890 PolarHBondContact O-N 3.49Å; C887-L890 PolarHBondContact O-N 2.9Å; Y888-L890 VanDerWaalsContact C-N 3.35Å; Y888-L890 PolarHBondContact O-N 2.81Å; L890-T892 VanDerWaalsContact C-N 3.25Å; L890-T892 PolarHBondContact O-N 3.41Å; L890-L893 PolarHBondContact O-N 3.06Å; L890-L893 VanDerWaalsContact O-N 3.07Å; L890-Y894 HydrophobicContact CB-CD2 4.49Å; L890-Y894 HydrophobicContact CD2-CE2 4.48Å; L890-Y894 WeakPolarHBondContact O-CD2 3.27Å; L890-Y894 PolarHBondContact O-N 3.33Å
891D90.8Very high88.2Confident18 Ų1825.1 Ų25.110%0.09613%0.133CC..Hα-helixtrans-58.4-40.4179.417888.9000111.4V795 R796 F797 C887 Y888 L893 Y894 G895V795-D891 HydrophobicContact CB-CB 3.94Å; V795-D891 HydrophobicContact CG1-CB 4.03Å; R796-D891 VanDerWaalsContact CB-OD1 3.31Å; R796-D891 WeakPolarHBondContact CB-OD1 3.45Å; R796-D891 IonicContact CZ-OD1 3.17Å; R796-D891 IonicContact CZ-OD2 3.99Å; R796-D891 PolarHBondContact N-OD1 2.73Å; R796-D891 IonicContact NE-OD1 3.6Å; R796-D891 PolarHBondContact NE-OD1 3.1Å; R796-D891 IonicContact NE-OD2 3.87Å; R796-D891 PolarHBondContact NE-OD2 3.07Å; R796-D891 PolarHBondContact NH2-O 2.95Å; R796-D891 IonicContact NH2-OD1 2.82Å; R796-D891 IonicContact NH2-OD2 3.7Å; R796-D891 PolarHBondContact NH2-OD2 3.38Å; F797-D891 HydrophobicContact CD2-CB 4.37Å; F797-D891 HydrophobicContact CE2-CB 3.79Å; F797-D891 HydrophobicContact CZ-CB 4.21Å; C887-D891 WeakPolarHBondContact O-CB 3.46Å; C887-D891 PolarHBondContact O-N 3.34Å; Y888-D891 PolarHBondContact O-N 2.81Å; D891-L893 VanDerWaalsContact C-N 3.33Å; D891-L893 PolarHBondContact O-N 2.86Å; D891-Y894 PolarHBondContact O-N 2.87Å; D891-G895 PolarHBondContact O-N 2.86Å
892T88.2Confident88.1Confident33 Ų3325.1 Ų25.120%0.20213%0.133CC..Hα-helixtrans-59.7-44.4175.9-57.80000111.5Y888 L890 K901 F904Y888-T892 WeakPolarHBondContact O-CB 3.34Å; Y888-T892 PolarHBondContact O-N 3.34Å; Y888-T892 PolarHBondContact O-OG1 2.88Å; L890-T892 VanDerWaalsContact C-N 3.25Å; L890-T892 PolarHBondContact O-N 3.41Å; T892-K901 WeakPolarHBondContact O-CG 3.29Å; T892-F904 HydrophobicContact CG2-CB 3.6Å; T892-F904 HydrophobicContact CG2-CD1 4.38Å; T892-F904 HydrophobicContact CG2-CD2 3.88Å; T892-F904 HydrophobicContact CG2-CG 3.71Å
893L87.9Confident88Confident2 Ų226 Ų261%0.0114%0.136CC..Hα-helixtrans-71.1-36.1-180-64168.5000113.2F850 P855 W856 A889 L890 D891 K901 F904F850-L893 HydrophobicContact CE2-CD1 3.57Å; F850-L893 HydrophobicContact CZ-CD1 3.53Å; P855-L893 HydrophobicContact CG-CB 3.88Å; W856-L893 HydrophobicContact CD2-CD2 4.42Å; W856-L893 HydrophobicContact CE3-CD2 4.05Å; W856-L893 HydrophobicContact CH2-CD2 3.14Å; W856-L893 HydrophobicContact CZ2-CD2 3.57Å; W856-L893 HydrophobicContact CZ3-CD2 3.41Å; W856-L893 VanDerWaalsContact CZ3-CD2 3.41Å; A889-L893 WeakPolarHBondContact O-CD1 3.39Å; A889-L893 VanDerWaalsContact O-CG 3.23Å; A889-L893 WeakPolarHBondContact O-CG 3.34Å; A889-L893 PolarHBondContact O-N 3.17Å; L890-L893 PolarHBondContact O-N 3.06Å; L890-L893 VanDerWaalsContact O-N 3.07Å; D891-L893 VanDerWaalsContact C-N 3.33Å; D891-L893 PolarHBondContact O-N 2.86Å; L893-K901 WeakPolarHBondContact O-CE 3.26Å; L893-K901 PolarHBondContact O-NZ 2.77Å; L893-F904 HydrophobicContact CD2-CD1 4.2Å; L893-F904 HydrophobicContact CD2-CE1 4.09Å; L893-F904 HydrophobicContact CG-CE1 4.45Å
894Y87.4Confident87.8Confident26 Ų2626.9 Ų26.910%0.10214%0.14CC..Hα-helixtrans-84.8-11.2179-83.3-83.8000114.4F797 L853 P855 L890 D891 V1116 I1118 K1121F797-Y894 HydrophobicContact CE1-CG 4.48Å; F797-Y894 HydrophobicContact CZ-CD2 4.34Å; L853-Y894 VanDerWaalsContact O-CE2 3.26Å; L853-Y894 WeakPolarHBondContact O-CE2 3.3Å; L853-Y894 PolarHBondContact O-OH 3.33Å; P855-Y894 HydrophobicContact CB-CE1 4.33Å; P855-Y894 HydrophobicContact CG-CE2 4.42Å; L890-Y894 HydrophobicContact CB-CD2 4.49Å; L890-Y894 HydrophobicContact CD2-CE2 4.48Å; L890-Y894 WeakPolarHBondContact O-CD2 3.27Å; L890-Y894 PolarHBondContact O-N 3.33Å; D891-Y894 PolarHBondContact O-N 2.87Å; Y894-V1116 HydrophobicContact CD1-CB 4.3Å; Y894-V1116 VanDerWaalsContact CD1-O 3.32Å; Y894-V1116 WeakPolarHBondContact CD1-O 3.34Å; Y894-V1116 HydrophobicContact CE1-CB 4.05Å; Y894-V1116 HydrophobicContact CE1-CG1 3.86Å; Y894-I1118 HydrophobicContact CD1-CB 3.99Å; Y894-I1118 HydrophobicContact CD2-CD1 4.08Å; Y894-I1118 HydrophobicContact CE1-CB 3.69Å; Y894-I1118 HydrophobicContact CE1-CG1 4.13Å; Y894-I1118 HydrophobicContact CE2-CB 4.44Å; Y894-I1118 HydrophobicContact CE2-CD1 3.92Å; Y894-I1118 HydrophobicContact CE2-CG1 4.05Å; Y894-I1118 HydrophobicContact CG-CB 4.48Å; Y894-K1121 WeakPolarHBondContact OH-CG 3.45Å
895G83.1Confident87.6Confident7 Ų724.7 Ų24.77%0.07213%0.13CC..SBendtrans-61.8170.5-178.400000115.4D891 K901D891-G895 PolarHBondContact O-N 2.86Å; G895-K901 WeakPolarHBondContact O-CE 3.42Å; G895-K901 PolarHBondContact O-NZ 2.83Å
896V72.4Confident87.5Confident67 Ų6722.9 Ų22.941%0.40612%0.122SC..SBendtrans-94.9-22.5175-164.20000112.4F898 H1115V896-F898 PolarHBondContact O-N 3.49Å; V896-F898 VanDerWaalsContact O-N 3.09Å; V896-H1115 WeakPolarHBondContact CG2-CE1 3.49Å
897S83.6Confident87.2Confident42 Ų4225.5 Ų25.529%0.29413%0.133SC..  trans-69.3107.7-177.9174.70000112.1T899 N900 K901S897-T899 VanDerWaalsContact C-N 3.29Å; S897-T899 PolarHBondContact O-N 3.32Å; S897-N900 PolarHBondContact O-N 2.8Å; S897-N900 VanDerWaalsContact OG-CG 3.31Å; S897-N900 PolarHBondContact OG-N 2.97Å; S897-N900 PolarHBondContact OG-OD1 2.95Å; S897-N900 VanDerWaalsContact OG-OD1 3.12Å; S897-K901 PolarHBondContact O-N 2.9Å
898F85.2Confident87Confident4 Ų425.5 Ų25.52%0.01813%0.133CC..Hα-helixtrans-47-52.2167.8174.5-101.5000111.9V896 N900 K901 L902 L1099 L1102 L1103 I1108 V1109 F1112 E1113V896-F898 PolarHBondContact O-N 3.49Å; V896-F898 VanDerWaalsContact O-N 3.09Å; F898-N900 VanDerWaalsContact C-N 3.29Å; F898-N900 PolarHBondContact O-N 2.85Å; F898-K901 PolarHBondContact O-N 3Å; F898-L902 HydrophobicContact CE1-CD2 3.97Å; F898-L902 HydrophobicContact CZ-CD2 4.06Å; F898-L902 WeakPolarHBondContact O-CB 3.42Å; F898-L902 PolarHBondContact O-N 3.19Å; F898-L1099 HydrophobicContact CD1-CD1 4.08Å; F898-L1099 HydrophobicContact CE1-CD1 3.82Å; F898-L1102 HydrophobicContact CZ-CB 3.86Å; F898-L1103 HydrophobicContact CD1-CD2 3.49Å; F898-L1103 VanDerWaalsContact CD1-CD2 3.49Å; F898-L1103 HydrophobicContact CD1-CG 4.11Å; F898-L1103 HydrophobicContact CE1-CD2 3.66Å; F898-L1103 HydrophobicContact CE1-CG 3.81Å; F898-L1103 HydrophobicContact CG-CD2 4.45Å; F898-I1108 HydrophobicContact CE2-CG2 4.11Å; F898-V1109 HydrophobicContact CD2-CB 4.45Å; F898-V1109 HydrophobicContact CD2-CG2 4.25Å; F898-V1109 HydrophobicContact CE2-CG2 4.13Å; F898-V1109 HydrophobicContact CZ-CG2 4.29Å; F898-F1112 HydrophobicContact CD2-CB 3.72Å; F898-F1112 HydrophobicContact CD2-CD2 4.12Å; F898-F1112 HydrophobicContact CD2-CG 4.22Å; F898-F1112 HydrophobicContact CE2-CB 4.24Å; F898-F1112 AromaticContact CE2-CD2 3.75Å; F898-F1112 HydrophobicContact CE2-CD2 3.75Å; F898-F1112 HydrophobicContact CE2-CG 4.31Å; F898-E1113 HydrophobicContact CB-CG 4.21Å
899T86.1Confident87Confident40 Ų4021.5 Ų21.525%0.24512%0.117CC..Hα-helixtrans-58.1-38.5-177.6-54.40000112.4S897 K903 I984 F1095 L1099S897-T899 VanDerWaalsContact C-N 3.29Å; S897-T899 PolarHBondContact O-N 3.32Å; T899-K903 VanDerWaalsContact O-CB 3.26Å; T899-K903 WeakPolarHBondContact O-CB 3.33Å; T899-K903 PolarHBondContact O-N 3.34Å; T899-I984 HydrophobicContact CG2-CD1 4.29Å; T899-F1095 HydrophobicContact CG2-CE1 4.35Å; T899-F1095 HydrophobicContact CG2-CZ 4.33Å; T899-L1099 HydrophobicContact CG2-CD1 4.01Å; T899-L1099 HydrophobicContact CG2-CD2 3.91Å
900N84.8Confident86.7Confident86 Ų8622 Ų2246%0.4612%0.12SC..Hα-helixtrans-73.9-41.5-178.5-66.514.9000111.3S897 F898 L902 K903 F904S897-N900 PolarHBondContact O-N 2.8Å; S897-N900 VanDerWaalsContact OG-CG 3.31Å; S897-N900 PolarHBondContact OG-N 2.97Å; S897-N900 PolarHBondContact OG-OD1 2.95Å; S897-N900 VanDerWaalsContact OG-OD1 3.12Å; F898-N900 VanDerWaalsContact C-N 3.29Å; F898-N900 PolarHBondContact O-N 2.85Å; N900-L902 VanDerWaalsContact C-N 3.31Å; N900-L902 PolarHBondContact O-N 3.49Å; N900-K903 PolarHBondContact O-N 2.92Å; N900-F904 WeakPolarHBondContact O-CB 3.22Å; N900-F904 PolarHBondContact O-N 3.1Å
901K87.8Confident86.1Confident8 Ų826.3 Ų26.34%0.03515%0.148CC..Hα-helixtrans-61.2-42.1173.2-68.7-173.7-170.1-176.90111.5T892 L893 G895 S897 F898 F904 L905 F1112T892-K901 WeakPolarHBondContact O-CG 3.29Å; L893-K901 WeakPolarHBondContact O-CE 3.26Å; L893-K901 PolarHBondContact O-NZ 2.77Å; G895-K901 WeakPolarHBondContact O-CE 3.42Å; G895-K901 PolarHBondContact O-NZ 2.83Å; S897-K901 PolarHBondContact O-N 2.9Å; F898-K901 PolarHBondContact O-N 3Å; K901-F904 PolarHBondContact O-N 2.95Å; K901-L905 WeakPolarHBondContact O-CG 3.24Å; K901-L905 PolarHBondContact O-N 3.19Å; K901-F1112 HydrophobicContact CB-CD1 4.01Å; K901-F1112 HydrophobicContact CB-CE1 4.49Å; K901-F1112 HydrophobicContact CD-CB 4.37Å; K901-F1112 HydrophobicContact CD-CD1 3.86Å; K901-F1112 WeakPolarHBondContact CD-O 3.46Å; K901-F1112 WeakPolarHBondContact CE-O 3.19Å; K901-F1112 PolarHBondContact NZ-O 2.73Å
902L88.3Confident85.4Confident0 Ų028.2 Ų28.20%016%0.161CC..Hα-helixtrans-68-41.6178-165.671.5000112F898 N900 F904 L905 F906 F998 F1095 L1099 L1102F898-L902 HydrophobicContact CE1-CD2 3.97Å; F898-L902 HydrophobicContact CZ-CD2 4.06Å; F898-L902 WeakPolarHBondContact O-CB 3.42Å; F898-L902 PolarHBondContact O-N 3.19Å; N900-L902 VanDerWaalsContact C-N 3.31Å; N900-L902 PolarHBondContact O-N 3.49Å; L902-F904 VanDerWaalsContact C-N 3.29Å; L902-F904 PolarHBondContact O-N 3.35Å; L902-L905 PolarHBondContact O-N 2.65Å; L902-F906 VanDerWaalsContact O-CB 3.27Å; L902-F906 WeakPolarHBondContact O-CB 3.5Å; L902-F906 PolarHBondContact O-N 2.84Å; L902-F998 HydrophobicContact CD1-CE2 4.48Å; L902-F998 HydrophobicContact CD1-CZ 3.91Å; L902-F1095 HydrophobicContact CB-CE2 4.21Å; L902-F1095 HydrophobicContact CB-CZ 4.44Å; L902-F1095 HydrophobicContact CD2-CE2 4Å; L902-F1095 HydrophobicContact CD2-CZ 4.47Å; L902-F1095 HydrophobicContact CG-CE2 3.93Å; L902-L1099 HydrophobicContact CD2-CB 4.08Å; L902-L1099 HydrophobicContact CD2-CD1 3.68Å; L902-L1102 HydrophobicContact CD1-CD1 3.48Å; L902-L1102 VanDerWaalsContact CD1-CD1 3.48Å; L902-L1102 HydrophobicContact CD2-CD1 3.86Å; L902-L1102 HydrophobicContact CG-CD1 4.29Å
903K87.8Confident84.9Confident42 Ų4226.6 Ų26.618%0.18315%0.151CC..Hα-helixtrans-58.9-41.9174-177173.2177.6-173.60111T899 N900 F906 K907 E982 L987 F1095T899-K903 VanDerWaalsContact O-CB 3.26Å; T899-K903 WeakPolarHBondContact O-CB 3.33Å; T899-K903 PolarHBondContact O-N 3.34Å; N900-K903 PolarHBondContact O-N 2.92Å; K903-F906 PolarHBondContact O-N 2.81Å; K903-K907 WeakPolarHBondContact O-CG 2.97Å; K903-K907 PolarHBondContact O-N 3.28Å; K903-E982 PolarHBondContact NZ-O 3.15Å; K903-E982 IonicContact NZ-OE2 3.06Å; K903-L987 HydrophobicContact CD-CD1 4.29Å; K903-L987 HydrophobicContact CG-CD1 4Å; K903-F1095 HydrophobicContact CB-CE1 4.05Å; K903-F1095 HydrophobicContact CB-CE2 4.14Å; K903-F1095 HydrophobicContact CB-CZ 3.63Å; K903-F1095 HydrophobicContact CG-CE1 4.4Å; K903-F1095 HydrophobicContact CG-CZ 4.4Å
904F88.6Confident84.5Confident21 Ų2127.8 Ų27.89%0.09216%0.156CC..Hα-helixtrans-64.6-51.3176-171.8-102.1000112V869 L872 A889 T892 L893 N900 K901 L902 F906 K907 L908V869-F904 HydrophobicContact CG1-CZ 4.1Å; V869-F904 HydrophobicContact CG2-CE1 4.07Å; V869-F904 HydrophobicContact CG2-CZ 4.22Å; L872-F904 HydrophobicContact CD2-CD2 4.11Å; L872-F904 HydrophobicContact CD2-CE2 3.89Å; L872-F904 HydrophobicContact CD2-CZ 4.38Å; A889-F904 HydrophobicContact CB-CZ 4.49Å; T892-F904 HydrophobicContact CG2-CB 3.6Å; T892-F904 HydrophobicContact CG2-CD1 4.38Å; T892-F904 HydrophobicContact CG2-CD2 3.88Å; T892-F904 HydrophobicContact CG2-CG 3.71Å; L893-F904 HydrophobicContact CD2-CD1 4.2Å; L893-F904 HydrophobicContact CD2-CE1 4.09Å; L893-F904 HydrophobicContact CG-CE1 4.45Å; N900-F904 WeakPolarHBondContact O-CB 3.22Å; N900-F904 PolarHBondContact O-N 3.1Å; K901-F904 PolarHBondContact O-N 2.95Å; L902-F904 VanDerWaalsContact C-N 3.29Å; L902-F904 PolarHBondContact O-N 3.35Å; F904-F906 VanDerWaalsContact C-N 3.27Å; F904-F906 PolarHBondContact O-N 2.72Å; F904-K907 WeakPolarHBondContact O-CB 3.23Å; F904-K907 PolarHBondContact O-N 2.82Å; F904-K907 VanDerWaalsContact O-N 3.13Å; F904-L908 HydrophobicContact CD1-CD1 4.31Å; F904-L908 HydrophobicContact CE1-CD1 4.17Å; F904-L908 HydrophobicContact CE1-CD2 4.45Å; F904-L908 HydrophobicContact CE1-CG 4.48Å; F904-L908 WeakPolarHBondContact O-CG 3.32Å; F904-L908 PolarHBondContact O-N 2.92Å; F904-L908 VanDerWaalsContact O-N 3.07Å
905L88.3Confident83.5Confident1 Ų131.2 Ų31.21%0.00518%0.18CC..Hα-helixtrans-57.6-38.8175-77.3176.9000112.7W856 K901 L902 L908 H909 F998 T1001 L1002 I1005 F1112W856-L905 HydrophobicContact CH2-CD1 4.04Å; W856-L905 HydrophobicContact CH2-CD2 3.57Å; W856-L905 HydrophobicContact CH2-CG 3.8Å; W856-L905 HydrophobicContact CZ2-CD1 4.47Å; W856-L905 HydrophobicContact CZ3-CD2 3.64Å; W856-L905 HydrophobicContact CZ3-CG 4.39Å; K901-L905 WeakPolarHBondContact O-CG 3.24Å; K901-L905 PolarHBondContact O-N 3.19Å; L902-L905 PolarHBondContact O-N 2.65Å; L905-L908 HydrophobicContact CD2-CD1 4.07Å; L905-L908 PolarHBondContact O-N 2.78Å; L905-H909 PolarHBondContact O-CE1 3.23Å; L905-H909 PolarHBondContact O-ND1 3.15Å; L905-F998 HydrophobicContact CB-CE2 4.13Å; L905-T1001 HydrophobicContact CD2-CG2 4.42Å; L905-L1002 HydrophobicContact CD1-CD2 4.12Å; L905-I1005 HydrophobicContact CD1-CD1 4.41Å; L905-I1005 HydrophobicContact CD2-CD1 3.77Å; L905-F1112 HydrophobicContact CD1-CE1 3.58Å; L905-F1112 HydrophobicContact CD1-CZ 3.42Å; L905-F1112 VanDerWaalsContact CD1-CZ 3.42Å
906F88.3Confident82.1Confident0 Ų032.7 Ų32.70%020%0.195CC..Hα-helixtrans-63.6-46.4175.5-173.6-86.9000111.1L902 K903 F904 L908 H909 L910 L987 P988 I990 F1095 V1098L902-F906 VanDerWaalsContact O-CB 3.27Å; L902-F906 WeakPolarHBondContact O-CB 3.5Å; L902-F906 PolarHBondContact O-N 2.84Å; K903-F906 PolarHBondContact O-N 2.81Å; F904-F906 VanDerWaalsContact C-N 3.27Å; F904-F906 PolarHBondContact O-N 2.72Å; F906-L908 VanDerWaalsContact C-N 3.31Å; F906-L908 PolarHBondContact O-N 2.95Å; F906-H909 PolarHBondContact O-N 2.96Å; F906-H909 VanDerWaalsContact O-N 3.08Å; F906-L910 HydrophobicContact CD1-CD1 4.14Å; F906-L910 HydrophobicContact CE1-CD1 3.99Å; F906-L987 HydrophobicContact CE1-CB 4.36Å; F906-P988 VanDerWaalsContact CE1-O 3.23Å; F906-P988 WeakPolarHBondContact CE1-O 3.45Å; F906-P988 WeakPolarHBondContact CZ-O 3.49Å; F906-I990 HydrophobicContact CD2-CD1 3.87Å; F906-I990 HydrophobicContact CD2-CG1 4.43Å; F906-I990 HydrophobicContact CD2-CG2 4.39Å; F906-I990 HydrophobicContact CE1-CG2 4.1Å; F906-I990 HydrophobicContact CE2-CB 4.33Å; F906-I990 HydrophobicContact CE2-CD1 3.47Å; F906-I990 VanDerWaalsContact CE2-CD1 3.47Å; F906-I990 HydrophobicContact CE2-CG1 3.58Å; F906-I990 HydrophobicContact CE2-CG2 3.92Å; F906-I990 HydrophobicContact CZ-CB 4.31Å; F906-I990 HydrophobicContact CZ-CD1 4.28Å; F906-I990 HydrophobicContact CZ-CG1 3.94Å; F906-I990 HydrophobicContact CZ-CG2 3.75Å; F906-F1095 HydrophobicContact CB-CD2 3.91Å; F906-F1095 HydrophobicContact CB-CE2 4.22Å; F906-F1095 HydrophobicContact CD1-CB 4.3Å; F906-F1095 HydrophobicContact CD1-CD2 4.22Å; F906-F1095 HydrophobicContact CD2-CB 4.4Å; F906-F1095 AromaticContact CD2-CD2 3.8Å; F906-F1095 HydrophobicContact CD2-CD2 3.8Å; F906-F1095 HydrophobicContact CE1-CB 4.01Å; F906-F1095 HydrophobicContact CE2-CB 4.09Å; F906-F1095 HydrophobicContact CE2-CD2 4.31Å; F906-F1095 HydrophobicContact CG-CB 4.48Å; F906-F1095 AromaticContact CG-CD2 3.73Å; F906-F1095 HydrophobicContact CG-CD2 3.73Å; F906-F1095 HydrophobicContact CG-CG 4.48Å; F906-F1095 HydrophobicContact CZ-CB 3.9Å; F906-V1098 HydrophobicContact CE2-CG2 4.26Å
907K88.1Confident80.5Confident54 Ų5434.7 Ų34.724%0.23521%0.212CC..Hα-helixtrans-59.1-34.7175.5-79.2-167.1170.9-156.50113.8L872 K903 F904 H909 L910 E982 L987L872-K907 HydrophobicContact CD1-CB 3.97Å; L872-K907 HydrophobicContact CD1-CD 4.4Å; L872-K907 HydrophobicContact CD2-CB 3.75Å; K903-K907 WeakPolarHBondContact O-CG 2.97Å; K903-K907 PolarHBondContact O-N 3.28Å; F904-K907 WeakPolarHBondContact O-CB 3.23Å; F904-K907 PolarHBondContact O-N 2.82Å; F904-K907 VanDerWaalsContact O-N 3.13Å; K907-H909 PolarHBondContact O-N 3.48Å; K907-H909 VanDerWaalsContact O-N 3.1Å; K907-L910 PolarHBondContact O-N 3.11Å; K907-E982 WeakPolarHBondContact CE-OE2 3.29Å; K907-E982 IonicContact NZ-OE1 3.31Å; K907-E982 IonicContact NZ-OE2 2.81Å; K907-E982 PolarHBondContact NZ-OE2 3.48Å; K907-L987 HydrophobicContact CG-CD2 4.13Å
908L88Confident78.4Confident0 Ų037.9 Ų37.90%023%0.232CC..THydrogen-bonded Turntrans-60.7-19176-64.9174.8000113.9L865 W868 V869 L872 F904 L905 F906 A913 F914L865-L908 HydrophobicContact CD1-CD1 3.77Å; W868-L908 VanDerWaalsContact C-CD2 3.47Å; W868-L908 HydrophobicContact CB-CB 4.29Å; W868-L908 HydrophobicContact CB-CD2 3.95Å; W868-L908 WeakPolarHBondContact O-CD2 3.37Å; V869-L908 HydrophobicContact CB-CD2 4.31Å; V869-L908 HydrophobicContact CG2-CD1 4.07Å; V869-L908 HydrophobicContact CG2-CD2 3.77Å; L872-L908 HydrophobicContact CB-CD2 4.06Å; L872-L908 HydrophobicContact CD2-CD2 3.61Å; L872-L908 HydrophobicContact CD2-CG 4.13Å; L872-L908 HydrophobicContact CG-CD2 4.48Å; F904-L908 HydrophobicContact CD1-CD1 4.31Å; F904-L908 HydrophobicContact CE1-CD1 4.17Å; F904-L908 HydrophobicContact CE1-CD2 4.45Å; F904-L908 HydrophobicContact CE1-CG 4.48Å; F904-L908 WeakPolarHBondContact O-CG 3.32Å; F904-L908 PolarHBondContact O-N 2.92Å; F904-L908 VanDerWaalsContact O-N 3.07Å; L905-L908 HydrophobicContact CD2-CD1 4.07Å; L905-L908 PolarHBondContact O-N 2.78Å; F906-L908 VanDerWaalsContact C-N 3.31Å; F906-L908 PolarHBondContact O-N 2.95Å; L908-A913 WeakPolarHBondContact O-CB 3.2Å; L908-F914 WeakPolarHBondContact O-CB 3.49Å
909H89.4Confident75.8Confident0 Ų045.5 Ų45.50%027%0.272CS..THydrogen-bonded Turntrans-99.96.2179.2-60.382.4000112.9W868 L905 F906 K907 Q994 F998 T1001W868-H909 AromaticContact CZ3-NE2 3.85Å; L905-H909 PolarHBondContact O-CE1 3.23Å; L905-H909 PolarHBondContact O-ND1 3.15Å; F906-H909 PolarHBondContact O-N 2.96Å; F906-H909 VanDerWaalsContact O-N 3.08Å; K907-H909 PolarHBondContact O-N 3.48Å; K907-H909 VanDerWaalsContact O-N 3.1Å; H909-Q994 VanDerWaalsContact O-CG 3.23Å; H909-Q994 WeakPolarHBondContact O-CG 3.48Å; H909-Q994 PolarHBondContact O-NE2 3.22Å; H909-F998 HydrophobicContact CB-CB 4.49Å; H909-F998 PolarHBondContact CD2-N 3.29Å; H909-F998 VanDerWaalsContact CD2-N 3.32Å; H909-F998 AromaticContact ND1-CD2 3.7Å; H909-F998 WeakPolarHBondContact NE2-CA 3.31Å; H909-T1001 PolarHBondContact CE1-OG1 2.98Å; H909-T1001 PolarHBondContact NE2-OG1 3.19Å
910L85.5Confident73.1Confident12 Ų1252.5 Ų52.56%0.06330%0.301CS..SBendtrans-105.5158.8171.8-63.2175.7000110.7F906 K907 A913 F914 P988 I990F906-L910 HydrophobicContact CD1-CD1 4.14Å; F906-L910 HydrophobicContact CE1-CD1 3.99Å; K907-L910 PolarHBondContact O-N 3.11Å; L910-A913 WeakPolarHBondContact O-CB 3.49Å; L910-A913 PolarHBondContact O-N 2.95Å; L910-F914 PolarHBondContact O-N 3.14Å; L910-P988 HydrophobicContact CD1-CB 4.09Å; L910-P988 HydrophobicContact CD1-CG 4.02Å; L910-P988 HydrophobicContact CD2-CB 4.09Å; L910-I990 HydrophobicContact CD2-CG2 3.66Å; L910-I990 HydrophobicContact CG-CG2 4.24Å
911P78.2Confident70.6Confident90 Ų9056.4 Ų56.458%0.58432%0.321SS*.THydrogen-bonded Turntrans-61.6145.8165.8-19.933.1000110.8
912P76.2Confident67.8Low57 Ų5765 Ų6537%0.3736%0.359SS..THydrogen-bonded Turncis-81.6-9.84.133-37.1000115.1R871R871-P912 WeakPolarHBondContact O-CG 3.3Å
913A78.1Confident65.2Low0 Ų074.6 Ų74.60%040%0.404CS..THydrogen-bonded Turntrans-62.1-54.8-175.800000112.4W868 L872 L908 L910W868-A913 HydrophobicContact CB-CB 4.23Å; W868-A913 WeakPolarHBondContact O-CB 3.43Å; L872-A913 HydrophobicContact CB-CB 4.17Å; L908-A913 WeakPolarHBondContact O-CB 3.2Å; L910-A913 WeakPolarHBondContact O-CB 3.49Å; L910-A913 PolarHBondContact O-N 2.95Å
914F79.2Confident62.3Low27 Ų2781.3 Ų81.312%0.11844%0.436CS..  trans-110119.4178.4-178.1-95.3000111.8W868 L908 L910 Q994 Q997W868-F914 AromaticContact CZ2-CD2 3.82Å; W868-F914 HydrophobicContact CZ2-CD2 3.82Å; W868-F914 HydrophobicContact CZ2-CE2 4.23Å; L908-F914 WeakPolarHBondContact O-CB 3.49Å; L910-F914 PolarHBondContact O-N 3.14Å; F914-Q994 HydrophobicContact CD1-CG 3.89Å; F914-Q994 HydrophobicContact CE1-CG 3.91Å; F914-Q997 HydrophobicContact CD2-CG 4.35Å; F914-Q997 HydrophobicContact CE2-CB 4.25Å; F914-Q997 HydrophobicContact CE2-CG 3.84Å; F914-Q997 HydrophobicContact CZ-CB 4.3Å; F914-Q997 HydrophobicContact CZ-CG 4.38Å
915T66.9Low59.5Low98 Ų9888.4 Ų88.460%0.60146%0.462SS*.  trans-110.512.8-171.9570000114.7
916G53.5Low56.8Low38 Ų3895.7 Ų95.739%0.39251%0.506SS..  trans50.184.7163.700000118.6
917S38.1Very low53.9Low108 Ų108104.4 Ų104.476%0.75555%0.547SS*.  trans-152.597.4162.1-86.40000112.3
918P39.5Very low51Low109 Ų109107.5 Ų107.571%0.70856%0.562SS**  trans-89.512.3-171.5-12.330.9000117.5
919L31.8Very low48Very low165 Ų165117 Ų11786%0.86460%0.604SS**SBendtrans-117.314.5-167.2-80.7174.4000117.3
920H29Very low44.9Very low187 Ų187122 Ų12287%0.86663%0.63SS**SBendtrans-13519.5167.8-112.7-64.3000116.2K922H920-K922 PolarHBondContact O-N 3.11Å
921L32.9Very low42.1Very low168 Ų168126.9 Ų126.988%0.8866%0.662SS**  trans-98.156.1167.9-77.5165000111.7
922K28.1Very low39.6Very low189 Ų189129.2 Ų129.282%0.82268%0.675SS**SBendtrans-80.8118.5153.6-95.1-172.3175.2-179.90107.9H920 Q924H920-K922 PolarHBondContact O-N 3.11Å; K922-Q924 PolarHBondContact O-N 3.07Å
923E34.2Very low37.8Very low201 Ų201133.8 Ų133.894%0.93970%0.695SS**  trans-5.180.4162.9-61.8170.6127.100116
924Q26.3Very low35.5Very low183 Ų183142.6 Ų142.686%0.85574%0.736SS**  trans-125.998166.5-79.9-166.3-21.600110.6K922K922-Q924 PolarHBondContact O-N 3.07Å
925R30.6Very low32.9Very low170 Ų170148.7 Ų148.764%0.64277%0.77SS**  trans53.877155.2-59.3-173.2176.11571117.6Q927 Q928R925-Q927 PolarHBondContact O-N 3.03Å; R925-Q928 HydrophobicContact CB-CB 4.21Å
926V30.2Very low31.1Very low154 Ų154150.1 Ų150.193%0.93378%0.784SS**THydrogen-bonded Turntrans-71.16.1150-176.40000111.8
927Q27.1Very low29.9Very low182 Ų182152.3 Ų152.385%0.8579%0.793SS**THydrogen-bonded Turntrans-113.618.7179.7-77.4-176.3-24.800114.5R925R925-Q927 PolarHBondContact O-N 3.03Å
928Q28Very low29.4Very low120 Ų120155.1 Ų155.156%0.56179%0.794SS**SBendtrans-119.118174.9-104.4-172.6-21.900115.5R925R925-Q928 HydrophobicContact CB-CB 4.21Å
929F25.9Very low28.8Very low200 Ų200158.1 Ų158.188%0.87780%0.803SS**  trans-115.148.6167.9-71.2-77.1000111.7
930L24.6Very low28.7Very low103 Ų103156.5 Ų156.554%0.53980%0.8SS.*SBendtrans-111.6123.9156.1-89.8164.7000107.2T932L930-T932 PolarHBondContact O-N 3.08Å; L930-T932 VanDerWaalsContact O-N 3.17Å
931P26.3Very low28.6Very low115 Ų115158.4 Ų158.475%0.74780%0.8SS**  trans-80.298.8-178.131.2-32.2000110.2I933P931-I933 PolarHBondContact O-N 3.49Å
932T25.5Very low28.2Very low140 Ų140158.3 Ų158.386%0.85980%0.799SS**  trans-69.2118.7157.4-40.70000107.5L930 E934L930-T932 PolarHBondContact O-N 3.08Å; L930-T932 VanDerWaalsContact O-N 3.17Å; T932-E934 PolarHBondContact O-N 3.23Å
933I37.7Very low28.2Very low153 Ų153154.5 Ų154.579%0.78580%0.803SS**  trans-76112.9-179.6-62.8168.4000108.6P931P931-I933 PolarHBondContact O-N 3.49Å
934E29.3Very low27.8Very low185 Ų185148.7 Ų148.786%0.86479%0.79SS**  trans-168.7148.5146.4-106.5159.4-152.800110.4T932T932-E934 PolarHBondContact O-N 3.23Å
935D25.6Very low27.9Very low154 Ų154149.6 Ų149.682%0.82479%0.791SS**  trans61.3108.1-177.3-77.4-18.4000120.5S937D935-S937 PolarHBondContact O-N 3.39Å
936S29.6Very low27.6Very low129 Ų129149.2 Ų149.290%0.90280%0.802SS**  trans-100.248-171.863.40000114.7
937S27.6Very low27.4Very low83 Ų83149.3 Ų149.358%0.5880%0.796SS**SBendtrans-134.4-4.2-170.860.40000117.9D935D935-S937 PolarHBondContact O-N 3.39Å
938H27Very low27.3Very low168 Ų168146.5 Ų146.578%0.77879%0.793SS**  trans-125.47.1-172.4-81-75.4000117.4T940H938-T940 VanDerWaalsContact C-N 3.3Å; H938-T940 PolarHBondContact O-N 2.91Å
939L27.3Very low27.5Very low172 Ų172150.1 Ų150.190%0.90181%0.81SS**  trans-82.651.8-176.7-81.4166000115.1
940T30.1Very low27.7Very low131 Ų131148.7 Ų148.780%0.80481%0.812SS**SBendtrans-131.415179.7-25.50000114.7H938H938-T940 VanDerWaalsContact C-N 3.3Å; H938-T940 PolarHBondContact O-N 2.91Å
941R26.9Very low27.8Very low226 Ų226147.1 Ų147.185%0.85382%0.82SS**SBendtrans-134.5-1.1-176.4-71.5-166.9-170.7171.85.4118
942L25Very low27.8Very low167 Ų167148.2 Ų148.287%0.87483%0.825SS**SBendtrans-106.521.4-175.9-68.2172.7000114.4
943A26.9Very low27.8Very low109 Ų109149 Ų14990%0.90182%0.822SS**SBendtrans-100.914.3172.800000113.2
944A27Very low27.2Very low79 Ų79152.6 Ų152.665%0.65383%0.826SS**  trans-110.5111.5173.100000108.9
945F27Very low26.9Very low201 Ų201152.9 Ų152.988%0.88282%0.824SS**  trans-99128.5159.5-89.8-84.8000107.6
946D25.1Very low26.8Very low163 Ų163150.8 Ų150.887%0.87282%0.821SS**  trans-63.8134.1-175.9-60.9-58.2000112
947L25.8Very low26.5Very low156 Ų156149.3 Ų149.382%0.81781%0.809SS**  trans-110.7145.4166-82.1165.1000108.8
948P24.9Very low26.4Very low122 Ų122154.8 Ų154.879%0.79283%0.825SS**  trans-64.7136.7-178.6-19.632.2000112.9D950P948-D950 PolarHBondContact O-N 3.1Å
949E33.3Very low26.7Very low196 Ų196157.4 Ų157.492%0.91683%0.828SS**SBendtrans-71.990.9171.5-66.7-174.7133.800111.2
950D29.6Very low26.8Very low171 Ų171152.2 Ų152.291%0.91482%0.816SS**  178.2119.1126.8-109.9-29.4000110.6P948P948-D950 PolarHBondContact O-N 3.1Å
951G26.1Very low27.3Very low69 Ų69154.3 Ų154.371%0.71181%0.809SS**SBendtrans153.662.7179.300000116.6I953G951-I953 PolarHBondContact O-N 3.36Å
952V27.4Very low27.4Very low138 Ų138146.3 Ų146.384%0.83680%0.797SS**  trans36.481.3161.4-168.50000115.5R954V952-R954 PolarHBondContact O-N 2.84Å
953I24.8Very low27.9Very low156 Ų156144.4 Ų144.480%0.878%0.782SS**  trans-60.5104.1162.8-61.4172.4000108.4G951 K955G951-I953 PolarHBondContact O-N 3.36Å; I953-K955 PolarHBondContact O-N 3.13Å
954R24.9Very low28.5Very low230 Ų230144.5 Ų144.587%0.86877%0.771SS**  trans-65.2104.2156.5-86.7-173.7171.8178.3-1.3106.7V952 S956V952-R954 PolarHBondContact O-N 2.84Å; R954-S956 PolarHBondContact O-N 2.99Å; R954-S956 VanDerWaalsContact O-N 3.11Å
955K22.9Very low29.2Very low190 Ų190145 Ų14583%0.82676%0.763SS**PPolyproline II helixtrans-51.3118.6171.4-67.5-177.6175.9-1750108.8I953I953-K955 PolarHBondContact O-N 3.13Å
956S23.3Very low29.7Very low110 Ų110140.7 Ų140.777%0.76975%0.748SS**PPolyproline II helixtrans-55.8132162.4-70.60000108.1R954 E958R954-S956 PolarHBondContact O-N 2.99Å; R954-S956 VanDerWaalsContact O-N 3.11Å; S956-E958 PolarHBondContact O-N 3.46Å
957P24.5Very low30.3Very low99 Ų99139.8 Ų139.864%0.64374%0.739SS**PPolyproline II helixtrans-66.6134.1174.228-32.6000108.7R959P957-R959 PolarHBondContact O-N 3.31Å
958E25.5Very low31.1Very low198 Ų198134.6 Ų134.693%0.92572%0.718SS**  trans-57.6101.5162.6-67.2175.415000107.4S956 G960S956-E958 PolarHBondContact O-N 3.46Å; E958-G960 PolarHBondContact O-N 3.41Å
959R33Very low31.9Very low223 Ų223133.8 Ų133.884%0.84270%0.7SS**  trans-76.475.4178.9-78.8-171.4176.1-179.30.6110.4P957P957-R959 PolarHBondContact O-N 3.31Å
960G29.4Very low32.3Very low62 Ų62129 Ų12964%0.63968%0.68SS**SBendtrans-52.7141.5132.400000108.2E958 G962E958-G960 PolarHBondContact O-N 3.41Å; G960-G962 PolarHBondContact O-N 3.07Å
961R40.9Very low32.9Very low176 Ų176127 Ų12766%0.66466%0.664SS**SBendtrans-50.689.8-166.9-64.8179.1177.6-161.22.4113.2P570P570-R961 VanDerWaalsContact C-NH1 3.34Å; P570-R961 PolarHBondContact O-NH1 3.33Å
962G27.8Very low33.7Very low58 Ų58128.7 Ų128.760%0.59865%0.653SS**  trans-80.7140177.500000110.5G960 V964G960-G962 PolarHBondContact O-N 3.07Å; G962-V964 PolarHBondContact O-N 2.87Å
963K35.8Very low34.4Very low127 Ų127129.3 Ų129.355%0.55264%0.64SS**  trans-41.1130.1-180-65.4-175.5171.7-160.40112.3S528 D965S528-K963 WeakPolarHBondContact O-CE 3.38Å; S528-K963 VanDerWaalsContact OG-CE 3.28Å; S528-K963 WeakPolarHBondContact OG-CE 3.25Å; S528-K963 PolarHBondContact OG-NZ 3.1Å; K963-D965 VanDerWaalsContact C-N 3.28Å; K963-D965 PolarHBondContact O-N 3.03Å
964V39.9Very low35.1Very low110 Ų110127.3 Ų127.367%0.66763%0.628SS**  trans-65.499.3153.61790000105.5G962 L966G962-V964 PolarHBondContact O-N 2.87Å; V964-L966 VanDerWaalsContact C-N 3.33Å; V964-L966 PolarHBondContact O-N 3.34Å
965D40.8Very low36.1Very low91 Ų91121.1 Ų121.149%0.48761%0.612SS.*  trans-66.497.4172.7176.7-1.2000107.5K963 Q967 A968 Y969K963-D965 VanDerWaalsContact C-N 3.28Å; K963-D965 PolarHBondContact O-N 3.03Å; D965-Q967 PolarHBondContact O-N 2.82Å; D965-Q967 VanDerWaalsContact O-N 3.09Å; D965-Q967 WeakPolarHBondContact OD1-CA 3.41Å; D965-Q967 VanDerWaalsContact OD1-CB 3.25Å; D965-Q967 WeakPolarHBondContact OD1-CB 3.31Å; D965-Q967 PolarHBondContact OD1-N 3.36Å; D965-A968 HydrophobicContact CB-CB 3.78Å; D965-A968 CarbonylContact O-C 3.54Å; D965-A968 WeakPolarHBondContact O-CA 3.48Å; D965-A968 WeakPolarHBondContact O-CB 3.35Å; D965-A968 PolarHBondContact O-N 3.44Å; D965-A968 PolarHBondContact OD1-N 3.11Å; D965-A968 VanDerWaalsContact OD1-N 3.11Å; D965-A968 WeakPolarHBondContact OD2-CB 3.48Å; D965-Y969 PolarHBondContact O-N 2.59Å
966L39Very low37.1Very low110 Ų110116.7 Ų116.758%0.57659%0.594SS**Hα-helixtrans-55.2-27.5178.3-120.694.2000111.5V964 L970V964-L966 VanDerWaalsContact C-N 3.33Å; V964-L966 PolarHBondContact O-N 3.34Å; L966-L970 WeakPolarHBondContact O-CB 3.31Å; L966-L970 WeakPolarHBondContact O-CD1 3.44Å; L966-L970 WeakPolarHBondContact O-CG 3.5Å; L966-L970 PolarHBondContact O-N 3.36Å
967Q37.9Very low38.1Very low144 Ų144116.8 Ų116.867%0.67358%0.584SS**Hα-helixtrans-81.4-28.7179.3-156.8168.210.300112D965 K971D965-Q967 PolarHBondContact O-N 2.82Å; D965-Q967 VanDerWaalsContact O-N 3.09Å; D965-Q967 WeakPolarHBondContact OD1-CA 3.41Å; D965-Q967 VanDerWaalsContact OD1-CB 3.25Å; D965-Q967 WeakPolarHBondContact OD1-CB 3.31Å; D965-Q967 PolarHBondContact OD1-N 3.36Å; Q967-K971 VanDerWaalsContact O-CB 3.29Å; Q967-K971 WeakPolarHBondContact O-CB 3.47Å; Q967-K971 WeakPolarHBondContact O-CG 3.45Å; Q967-K971 PolarHBondContact O-N 3.01Å
968A41.3Very low38.7Very low46 Ų46117.7 Ų117.738%0.3858%0.583SS.*Hα-helixtrans-71.5-41.6165.400000111.7D965 K971 Q972D965-A968 HydrophobicContact CB-CB 3.78Å; D965-A968 CarbonylContact O-C 3.54Å; D965-A968 WeakPolarHBondContact O-CA 3.48Å; D965-A968 WeakPolarHBondContact O-CB 3.35Å; D965-A968 PolarHBondContact O-N 3.44Å; D965-A968 PolarHBondContact OD1-N 3.11Å; D965-A968 VanDerWaalsContact OD1-N 3.11Å; D965-A968 WeakPolarHBondContact OD2-CB 3.48Å; A968-K971 CarbonylContact O-C 3.49Å; A968-K971 WeakPolarHBondContact O-CB 3.45Å; A968-K971 PolarHBondContact O-N 3.06Å; A968-Q972 WeakPolarHBondContact O-CB 3.4Å; A968-Q972 PolarHBondContact O-N 3.26Å
969Y42.2Very low39.5Very low106 Ų106114.2 Ų114.242%0.41657%0.565SS.*Hα-helixtrans-66.4-43.4176.8-162.9-95.4000111.7D965 K971 Q972 W973D965-Y969 PolarHBondContact O-N 2.59Å; Y969-K971 VanDerWaalsContact C-N 3.33Å; Y969-K971 PolarHBondContact O-N 3.46Å; Y969-Q972 PolarHBondContact O-N 3.12Å; Y969-W973 WeakPolarHBondContact O-CB 3.27Å; Y969-W973 PolarHBondContact O-N 2.86Å
970L42Very low39.7Very low95 Ų95112.8 Ų112.850%0.49757%0.565SS.*Hα-helixtrans-63.9-36171.9-74.9167.4000111.9L966 Q974L966-L970 WeakPolarHBondContact O-CB 3.31Å; L966-L970 WeakPolarHBondContact O-CD1 3.44Å; L966-L970 WeakPolarHBondContact O-CG 3.5Å; L966-L970 PolarHBondContact O-N 3.36Å; L970-Q974 WeakPolarHBondContact O-CB 3.27Å; L970-Q974 PolarHBondContact O-N 2.89Å
971K41.8Very low40.5Very low130 Ų130118.7 Ų118.757%0.56558%0.576SS**Hα-helixtrans-67.4-38.3170.8-88.8179.5173.8176.20112.8Q967 A968 Y969 N975Q967-K971 VanDerWaalsContact O-CB 3.29Å; Q967-K971 WeakPolarHBondContact O-CB 3.47Å; Q967-K971 WeakPolarHBondContact O-CG 3.45Å; Q967-K971 PolarHBondContact O-N 3.01Å; A968-K971 CarbonylContact O-C 3.49Å; A968-K971 WeakPolarHBondContact O-CB 3.45Å; A968-K971 PolarHBondContact O-N 3.06Å; Y969-K971 VanDerWaalsContact C-N 3.33Å; Y969-K971 PolarHBondContact O-N 3.46Å; K971-N975 WeakPolarHBondContact O-CB 3.14Å; K971-N975 PolarHBondContact O-N 3.48Å; K971-N975 PolarHBondContact O-ND2 3.36Å
972Q42.3Very low41.2Very low103 Ų103114.8 Ų114.848%0.48157%0.565SS.*Hα-helixtrans-65.9-49.2176.8-179.3177.1-19.900110A968 Y969 Q974 N975 E976A968-Q972 WeakPolarHBondContact O-CB 3.4Å; A968-Q972 PolarHBondContact O-N 3.26Å; Y969-Q972 PolarHBondContact O-N 3.12Å; Q972-Q974 PolarHBondContact O-N 2.95Å; Q972-N975 CarbonylContact O-C 3.48Å; Q972-N975 WeakPolarHBondContact O-CA 3.35Å; Q972-N975 WeakPolarHBondContact O-CB 3.15Å; Q972-N975 PolarHBondContact O-N 2.89Å; Q972-N975 VanDerWaalsContact O-N 3.1Å; Q972-E976 PolarHBondContact NE2-OE1 2.82Å; Q972-E976 WeakPolarHBondContact O-CG 3.35Å; Q972-E976 PolarHBondContact O-N 2.82Å
973W42.4Very low42.6Very low151 Ų151115.6 Ų115.657%0.57256%0.559SS**Hα-helixtrans-61.4-41.2175.3-167.372.5000112.3Y969 N975 E976 I977Y969-W973 WeakPolarHBondContact O-CB 3.27Å; Y969-W973 PolarHBondContact O-N 2.86Å; W973-N975 VanDerWaalsContact C-N 3.35Å; W973-N975 PolarHBondContact O-N 2.9Å; W973-E976 PolarHBondContact O-N 2.91Å; W973-I977 HydrophobicContact CD2-CD1 3.68Å; W973-I977 HydrophobicContact CE3-CD1 3.47Å; W973-I977 VanDerWaalsContact CE3-CD1 3.47Å; W973-I977 HydrophobicContact CH2-CD1 3.55Å; W973-I977 HydrophobicContact CZ2-CD1 3.75Å; W973-I977 HydrophobicContact CZ3-CD1 3.41Å; W973-I977 VanDerWaalsContact CZ3-CD1 3.41Å; W973-I977 VanDerWaalsContact O-CG1 3.32Å; W973-I977 WeakPolarHBondContact O-CG1 3.49Å; W973-I977 PolarHBondContact O-N 3.4Å
974Q40.3Very low43.9Very low115 Ų115112.8 Ų112.854%0.53755%0.549SS..Hα-helixtrans-66.2-35.1173.4-173.7167.346.400112.1L970 Q972 L978L970-Q974 WeakPolarHBondContact O-CB 3.27Å; L970-Q974 PolarHBondContact O-N 2.89Å; Q972-Q974 PolarHBondContact O-N 2.95Å; Q974-L978 HydrophobicContact CG-CD1 4.17Å; Q974-L978 VanDerWaalsContact O-CB 3.3Å; Q974-L978 WeakPolarHBondContact O-CB 3.41Å; Q974-L978 WeakPolarHBondContact O-CD1 3.37Å; Q974-L978 WeakPolarHBondContact O-CG 3.33Å; Q974-L978 PolarHBondContact O-N 2.78Å
975N44.6Very low44.7Very low100 Ų100116 Ų11654%0.53555%0.554SS.*Hα-helixtrans-72.4-32.4173-76.2-19.1000112.6K971 Q972 W973 L978 K979K971-N975 WeakPolarHBondContact O-CB 3.14Å; K971-N975 PolarHBondContact O-N 3.48Å; K971-N975 PolarHBondContact O-ND2 3.36Å; Q972-N975 CarbonylContact O-C 3.48Å; Q972-N975 WeakPolarHBondContact O-CA 3.35Å; Q972-N975 WeakPolarHBondContact O-CB 3.15Å; Q972-N975 PolarHBondContact O-N 2.89Å; Q972-N975 VanDerWaalsContact O-N 3.1Å; W973-N975 VanDerWaalsContact C-N 3.35Å; W973-N975 PolarHBondContact O-N 2.9Å; N975-L978 CarbonylContact O-C 3.58Å; N975-L978 VanDerWaalsContact O-C 3.24Å; N975-L978 WeakPolarHBondContact O-CA 3.27Å; N975-L978 PolarHBondContact O-N 2.86Å; N975-K979 PolarHBondContact O-N 2.78Å
976E44.7Very low45.9Very low97 Ų97116.4 Ų116.445%0.45356%0.556SS.*Hα-helixtrans-68.4-43172.5-77.4173-168.700110.9Q972 W973 L978 K979Q972-E976 PolarHBondContact NE2-OE1 2.82Å; Q972-E976 WeakPolarHBondContact O-CG 3.35Å; Q972-E976 PolarHBondContact O-N 2.82Å; W973-E976 PolarHBondContact O-N 2.91Å; E976-L978 PolarHBondContact O-N 2.91Å; E976-K979 WeakPolarHBondContact O-CB 3.44Å; E976-K979 PolarHBondContact O-N 2.74Å; E976-K979 VanDerWaalsContact O-N 3.14Å
977I43.5Very low47.8Very low111 Ų111112.1 Ų112.157%0.56953%0.534SS*.Hα-helixtrans-61.4-26.4169.4-69.4166.9000111.8W973W973-I977 HydrophobicContact CD2-CD1 3.68Å; W973-I977 HydrophobicContact CE3-CD1 3.47Å; W973-I977 VanDerWaalsContact CE3-CD1 3.47Å; W973-I977 HydrophobicContact CH2-CD1 3.55Å; W973-I977 HydrophobicContact CZ2-CD1 3.75Å; W973-I977 HydrophobicContact CZ3-CD1 3.41Å; W973-I977 VanDerWaalsContact CZ3-CD1 3.41Å; W973-I977 VanDerWaalsContact O-CG1 3.32Å; W973-I977 WeakPolarHBondContact O-CG1 3.49Å; W973-I977 PolarHBondContact O-N 3.4Å
978L37.2Very low49.9Very low118 Ų118109 Ų10962%0.61853%0.526SS*.THydrogen-bonded Turntrans-97.94.1176.9-78.4162.7000114.4Q974 N975 E976 K980Q974-L978 HydrophobicContact CG-CD1 4.17Å; Q974-L978 VanDerWaalsContact O-CB 3.3Å; Q974-L978 WeakPolarHBondContact O-CB 3.41Å; Q974-L978 WeakPolarHBondContact O-CD1 3.37Å; Q974-L978 WeakPolarHBondContact O-CG 3.33Å; Q974-L978 PolarHBondContact O-N 2.78Å; N975-L978 CarbonylContact O-C 3.58Å; N975-L978 VanDerWaalsContact O-C 3.24Å; N975-L978 WeakPolarHBondContact O-CA 3.27Å; N975-L978 PolarHBondContact O-N 2.86Å; E976-L978 PolarHBondContact O-N 2.91Å; L978-K980 VanDerWaalsContact C-N 3.26Å; L978-K980 PolarHBondContact O-N 3.11Å
979K41.8Very low52Low126 Ų126113 Ų11355%0.54853%0.531SS..  trans-66.488.2170.8-90.2-172.4173.8-179.50108.1E875 N975 E976E875-K979 VanDerWaalsContact CD-NZ 3.33Å; E875-K979 IonicContact OE1-NZ 3.28Å; E875-K979 PolarHBondContact OE1-NZ 3.26Å; E875-K979 VanDerWaalsContact OE1-NZ 3.17Å; E875-K979 IonicContact OE2-NZ 3.91Å; E875-K979 PolarHBondContact OE2-NZ 2.98Å; N975-K979 PolarHBondContact O-N 2.78Å; E976-K979 WeakPolarHBondContact O-CB 3.44Å; E976-K979 PolarHBondContact O-N 2.74Å; E976-K979 VanDerWaalsContact O-N 3.14Å
980K39.1Very low54.1Low193 Ų193108 Ų10884%0.83951%0.511SS*.PPolyproline II helixtrans-55139.8164.7-71.9-179.5176.8177.40108.5L978 E982L978-K980 VanDerWaalsContact C-N 3.26Å; L978-K980 PolarHBondContact O-N 3.11Å; K980-E982 PolarHBondContact O-N 2.85Å
981E46.2Very low56.1Low186 Ų186106.4 Ų106.487%0.86950%0.504SS*.PPolyproline II helixtrans-51.8117.8167.8-68.6-174.7121.600109.2T983E981-T983 PolarHBondContact O-N 3.43Å
982E54.1Low58.1Low93 Ų93103.4 Ų103.444%0.43549%0.492SS..PPolyproline II helixtrans-53.1117.4171.3-76.9177.5161.300108.6K903 K907 K980K903-E982 PolarHBondContact NZ-O 3.15Å; K903-E982 IonicContact NZ-OE2 3.06Å; K907-E982 WeakPolarHBondContact CE-OE2 3.29Å; K907-E982 IonicContact NZ-OE1 3.31Å; K907-E982 IonicContact NZ-OE2 2.81Å; K907-E982 PolarHBondContact NZ-OE2 3.48Å; K980-E982 PolarHBondContact O-N 2.85Å
983T57.9Low60Low75 Ų75100.6 Ų100.646%0.4649%0.486SS..PPolyproline II helixtrans-71.4160.1178.373.50000109.2E981 K985 D986E981-T983 PolarHBondContact O-N 3.43Å; T983-K985 PolarHBondContact O-N 3.22Å; T983-D986 WeakPolarHBondContact CA-OD2 3.23Å; T983-D986 WeakPolarHBondContact CB-OD2 3.4Å; T983-D986 PolarHBondContact N-OD2 2.96Å; T983-D986 PolarHBondContact O-N 3.33Å; T983-D986 PolarHBondContact OG1-OD2 3.41Å
984I62.5Low62.1Low69 Ų6994.3 Ų94.335%0.35446%0.463SS..G310 helixtrans-51.2-28.7178.2-75.3177.1000112.3T899 F1095 E1096 L1099T899-I984 HydrophobicContact CG2-CD1 4.29Å; I984-F1095 HydrophobicContact CG1-CD1 4.43Å; I984-F1095 HydrophobicContact CG1-CE1 4.22Å; I984-F1095 HydrophobicContact CG2-CD1 4.01Å; I984-F1095 HydrophobicContact CG2-CE1 4.48Å; I984-E1096 HydrophobicContact CG2-CG 3.56Å; I984-L1099 HydrophobicContact CD1-CD2 4.27Å
985K57.9Low64.3Low176 Ų17689.2 Ų89.277%0.76544%0.439SS*.G310 helixtrans-78.6-13.1-177.5-59.8-177.7178.3-177.90115T983T983-K985 PolarHBondContact O-N 3.22Å
986D64.3Low66.2Low101 Ų10187.9 Ų87.954%0.5443%0.431SS..G310 helixtrans-91.8-0.2-173.7-55.7-51.3000112.5T983T983-D986 WeakPolarHBondContact CA-OD2 3.23Å; T983-D986 WeakPolarHBondContact CB-OD2 3.4Å; T983-D986 PolarHBondContact N-OD2 2.96Å; T983-D986 PolarHBondContact O-N 3.33Å; T983-D986 PolarHBondContact OG1-OD2 3.41Å
987L79.2Confident68.2Low20 Ų2085.2 Ų85.211%0.10542%0.419CS..SBendtrans-84.7136.2-177.4-69.6167.2000112.7K903 F906 K907 F1095K903-L987 HydrophobicContact CD-CD1 4.29Å; K903-L987 HydrophobicContact CG-CD1 4Å; F906-L987 HydrophobicContact CE1-CB 4.36Å; K907-L987 HydrophobicContact CG-CD2 4.13Å; L987-F1095 HydrophobicContact CB-CB 4.36Å; L987-F1095 HydrophobicContact CD1-CB 3.68Å; L987-F1095 HydrophobicContact CD1-CD1 3.49Å; L987-F1095 VanDerWaalsContact CD1-CD1 3.49Å; L987-F1095 HydrophobicContact CD1-CD2 4.42Å; L987-F1095 HydrophobicContact CD1-CE1 4.28Å; L987-F1095 HydrophobicContact CD1-CG 3.6Å
988P81.9Confident70.3Confident77 Ų7780.2 Ų80.250%0.539%0.393SS..PPolyproline II helixtrans-58149.6170.5-23.132.7000112.8F906 L910F906-P988 VanDerWaalsContact CE1-O 3.23Å; F906-P988 WeakPolarHBondContact CE1-O 3.45Å; F906-P988 WeakPolarHBondContact CZ-O 3.49Å; L910-P988 HydrophobicContact CD1-CB 4.09Å; L910-P988 HydrophobicContact CD1-CG 4.02Å; L910-P988 HydrophobicContact CD2-CB 4.09Å
989R86.1Confident72.6Confident132 Ų13275.2 Ų75.250%0.49837%0.368SS..PPolyproline II helixtrans-73.6140.7170-56.8-177.480.8179.72.6109.8S1092 F1093R989-S1092 PolarHBondContact NH2-O 3.33Å; R989-F1093 CarbonylContact C-O 3.56Å; R989-F1093 VanDerWaalsContact CA-O 3.24Å; R989-F1093 WeakPolarHBondContact CA-O 3.29Å; R989-F1093 WeakPolarHBondContact CB-O 3.45Å
990I85.5Confident74.7Confident0 Ų074.4 Ų74.40%036%0.364CS..EExtended strand (participates in β ladder)trans-83.9132170.651.3178.1000110.1F906 L910 Q994 F995 S1092 F1093 V1098F906-I990 HydrophobicContact CD2-CD1 3.87Å; F906-I990 HydrophobicContact CD2-CG1 4.43Å; F906-I990 HydrophobicContact CD2-CG2 4.39Å; F906-I990 HydrophobicContact CE1-CG2 4.1Å; F906-I990 HydrophobicContact CE2-CB 4.33Å; F906-I990 HydrophobicContact CE2-CD1 3.47Å; F906-I990 VanDerWaalsContact CE2-CD1 3.47Å; F906-I990 HydrophobicContact CE2-CG1 3.58Å; F906-I990 HydrophobicContact CE2-CG2 3.92Å; F906-I990 HydrophobicContact CZ-CB 4.31Å; F906-I990 HydrophobicContact CZ-CD1 4.28Å; F906-I990 HydrophobicContact CZ-CG1 3.94Å; F906-I990 HydrophobicContact CZ-CG2 3.75Å; L910-I990 HydrophobicContact CD2-CG2 3.66Å; L910-I990 HydrophobicContact CG-CG2 4.24Å; I990-Q994 HydrophobicContact CB-CB 3.86Å; I990-Q994 HydrophobicContact CG2-CB 4.07Å; I990-F995 HydrophobicContact CD1-CB 4.11Å; I990-F995 HydrophobicContact CD1-CD2 3.79Å; I990-F995 HydrophobicContact CD1-CG 4.45Å; I990-F995 HydrophobicContact CG1-CB 4.44Å; I990-S1092 CarbonylContact O-C 3.58Å; I990-S1092 WeakPolarHBondContact O-CA 3.23Å; I990-S1092 VanDerWaalsContact O-CB 3.3Å; I990-S1092 WeakPolarHBondContact O-CB 3.45Å; I990-F1093 HydrophobicContact CG1-CB 4.19Å; I990-F1093 PolarHBondContact N-O 3.37Å; I990-F1093 PolarHBondContact O-N 2.94Å; I990-V1098 HydrophobicContact CD1-CG2 4.33Å
991N85.8Confident76.9Confident62 Ų6265.7 Ų65.733%0.33233%0.327SS..EExtended strand (participates in β ladder)trans-79175.8175.270.827.1000112.2A993 Q994 F995N991-A993 PolarHBondContact O-N 3.49Å; N991-A993 PolarHBondContact OD1-N 3.48Å; N991-A993 VanDerWaalsContact OD1-N 3.12Å; N991-Q994 VanDerWaalsContact CG-OE1 3.28Å; N991-Q994 PolarHBondContact O-N 3.49Å; N991-Q994 VanDerWaalsContact OD1-CG 3.3Å; N991-Q994 WeakPolarHBondContact OD1-CG 3.4Å; N991-Q994 PolarHBondContact OD1-N 3.39Å; N991-Q994 PolarHBondContact OD1-OE1 3.41Å; N991-F995 WeakPolarHBondContact O-CB 3.36Å; N991-F995 PolarHBondContact O-N 3.15Å
992Q82.6Confident78.8Confident67 Ų6757 Ų5731%0.31329%0.287SS..Hα-helixtrans-49.8-49.2179169.3160.9-7.700113.9F995 I996 W1091Q992-F995 PolarHBondContact O-N 3.34Å; Q992-I996 HydrophobicContact CG-CD1 3.83Å; Q992-I996 WeakPolarHBondContact O-CD1 3.24Å; Q992-I996 VanDerWaalsContact O-CG1 3.26Å; Q992-I996 WeakPolarHBondContact O-CG1 3.27Å; Q992-I996 PolarHBondContact O-N 3.17Å; Q992-W1091 HydrophobicContact CB-CD2 4.03Å; Q992-W1091 HydrophobicContact CB-CE3 4.19Å; Q992-W1091 HydrophobicContact CB-CH2 3.9Å; Q992-W1091 HydrophobicContact CB-CZ2 3.74Å; Q992-W1091 HydrophobicContact CB-CZ3 4.12Å; Q992-W1091 HydrophobicContact CG-CH2 3.83Å; Q992-W1091 HydrophobicContact CG-CZ2 3.39Å; Q992-W1091 PolarHBondContact N-O 2.89Å; Q992-W1091 VanDerWaalsContact N-O 3.1Å
993A82.3Confident80.3Confident44 Ų4456.4 Ų56.436%0.36428%0.281SS..Hα-helixtrans-65.5-41.5-179.100000112.3N991 Q997N991-A993 PolarHBondContact O-N 3.49Å; N991-A993 PolarHBondContact OD1-N 3.48Å; N991-A993 VanDerWaalsContact OD1-N 3.12Å; A993-Q997 PolarHBondContact O-N 3.35Å; A993-Q997 VanDerWaalsContact O-N 3.1Å
994Q86.8Confident81.6Confident19 Ų1955.3 Ų55.39%0.08927%0.272CS..Hα-helixtrans-65.9-41.2177.1-68.6169.8-45.100111.7H909 F914 I990 N991 Q997 F998H909-Q994 VanDerWaalsContact O-CG 3.23Å; H909-Q994 WeakPolarHBondContact O-CG 3.48Å; H909-Q994 PolarHBondContact O-NE2 3.22Å; F914-Q994 HydrophobicContact CD1-CG 3.89Å; F914-Q994 HydrophobicContact CE1-CG 3.91Å; I990-Q994 HydrophobicContact CB-CB 3.86Å; I990-Q994 HydrophobicContact CG2-CB 4.07Å; N991-Q994 VanDerWaalsContact CG-OE1 3.28Å; N991-Q994 PolarHBondContact O-N 3.49Å; N991-Q994 VanDerWaalsContact OD1-CG 3.3Å; N991-Q994 WeakPolarHBondContact OD1-CG 3.4Å; N991-Q994 PolarHBondContact OD1-N 3.39Å; N991-Q994 PolarHBondContact OD1-OE1 3.41Å; Q994-Q997 PolarHBondContact O-N 3.45Å; Q994-F998 WeakPolarHBondContact O-CB 3.34Å; Q994-F998 PolarHBondContact O-N 3.03Å
995F86.7Confident82.6Confident7 Ų752.3 Ų52.33%0.03126%0.257CS..Hα-helixtrans-69.6-37.4177.9-179-99.5000113.2I990 N991 Q992 Q997 F998 S999 T1023 L1026 W1091 F1093 V1098I990-F995 HydrophobicContact CD1-CB 4.11Å; I990-F995 HydrophobicContact CD1-CD2 3.79Å; I990-F995 HydrophobicContact CD1-CG 4.45Å; I990-F995 HydrophobicContact CG1-CB 4.44Å; N991-F995 WeakPolarHBondContact O-CB 3.36Å; N991-F995 PolarHBondContact O-N 3.15Å; Q992-F995 PolarHBondContact O-N 3.34Å; F995-Q997 VanDerWaalsContact C-N 3.29Å; F995-Q997 PolarHBondContact O-N 3.01Å; F995-F998 HydrophobicContact CD2-CD1 4.36Å; F995-F998 HydrophobicContact CE2-CD1 4.46Å; F995-F998 PolarHBondContact O-N 2.82Å; F995-S999 WeakPolarHBondContact O-CB 3.3Å; F995-S999 PolarHBondContact O-N 3.43Å; F995-S999 PolarHBondContact O-OG 2.72Å; F995-T1023 HydrophobicContact CE1-CG2 4.16Å; F995-L1026 HydrophobicContact CE2-CD1 3.65Å; F995-L1026 HydrophobicContact CZ-CB 4.41Å; F995-L1026 HydrophobicContact CZ-CD1 3.64Å; F995-W1091 HydrophobicContact CB-CH2 4.19Å; F995-W1091 HydrophobicContact CB-CZ3 3.77Å; F995-W1091 AromaticContact CD1-CH2 3.61Å; F995-W1091 HydrophobicContact CD1-CH2 3.61Å; F995-W1091 AromaticContact CD1-CZ3 3.62Å; F995-W1091 HydrophobicContact CD1-CZ3 3.62Å; F995-W1091 HydrophobicContact CE1-CH2 4.42Å; F995-W1091 HydrophobicContact CE1-CZ3 4.46Å; F995-W1091 HydrophobicContact CG-CH2 4.26Å; F995-W1091 AromaticContact CG-CZ3 3.89Å; F995-W1091 HydrophobicContact CG-CZ3 3.89Å; F995-F1093 HydrophobicContact CB-CD2 4.24Å; F995-F1093 HydrophobicContact CD1-CD2 4.12Å; F995-F1093 AromaticContact CD1-CE2 3.85Å; F995-F1093 HydrophobicContact CD1-CE2 3.85Å; F995-F1093 AromaticContact CD2-CD2 3.54Å; F995-F1093 HydrophobicContact CD2-CD2 3.54Å; F995-F1093 HydrophobicContact CD2-CE2 4.04Å; F995-F1093 HydrophobicContact CE1-CD2 4.34Å; F995-F1093 AromaticContact CE1-CE2 3.84Å; F995-F1093 HydrophobicContact CE1-CE2 3.84Å; F995-F1093 AromaticContact CE2-CD2 3.82Å; F995-F1093 HydrophobicContact CE2-CD2 3.82Å; F995-F1093 HydrophobicContact CE2-CE2 4.07Å; F995-F1093 AromaticContact CG-CD2 3.69Å; F995-F1093 HydrophobicContact CG-CD2 3.69Å; F995-F1093 AromaticContact CG-CE2 3.92Å; F995-F1093 HydrophobicContact CG-CE2 3.92Å; F995-F1093 HydrophobicContact CZ-CD2 4.19Å; F995-F1093 AromaticContact CZ-CE2 3.95Å; F995-F1093 HydrophobicContact CZ-CE2 3.95Å; F995-V1098 HydrophobicContact CE2-CG2 4.4Å
996I85.1Confident84Confident73 Ų7343.9 Ų43.937%0.37422%0.22SC..Hα-helixtrans-60.2-43.4171.3-71163.9000109.8Q992 S999 K1000Q992-I996 HydrophobicContact CG-CD1 3.83Å; Q992-I996 WeakPolarHBondContact O-CD1 3.24Å; Q992-I996 VanDerWaalsContact O-CG1 3.26Å; Q992-I996 WeakPolarHBondContact O-CG1 3.27Å; Q992-I996 PolarHBondContact O-N 3.17Å; I996-S999 PolarHBondContact O-N 3.12Å; I996-K1000 WeakPolarHBondContact O-CG 3.49Å; I996-K1000 PolarHBondContact O-N 3.39Å
997Q85.3Confident84.9Confident41 Ų4143.2 Ų43.219%0.19221%0.214CC..Hα-helixtrans-70.1-40178.2-169.752.855.800112.6W868 F914 A993 Q994 F995 S999 K1000 T1001W868-Q997 HydrophobicContact CH2-CG 3.68Å; W868-Q997 HydrophobicContact CZ2-CG 4.26Å; W868-Q997 HydrophobicContact CZ3-CG 4.46Å; F914-Q997 HydrophobicContact CD2-CG 4.35Å; F914-Q997 HydrophobicContact CE2-CB 4.25Å; F914-Q997 HydrophobicContact CE2-CG 3.84Å; F914-Q997 HydrophobicContact CZ-CB 4.3Å; F914-Q997 HydrophobicContact CZ-CG 4.38Å; A993-Q997 PolarHBondContact O-N 3.35Å; A993-Q997 VanDerWaalsContact O-N 3.1Å; Q994-Q997 PolarHBondContact O-N 3.45Å; F995-Q997 VanDerWaalsContact C-N 3.29Å; F995-Q997 PolarHBondContact O-N 3.01Å; Q997-S999 VanDerWaalsContact C-N 3.32Å; Q997-S999 PolarHBondContact O-N 3.08Å; Q997-K1000 WeakPolarHBondContact O-CB 3.21Å; Q997-K1000 PolarHBondContact O-N 3.03Å; Q997-T1001 PolarHBondContact O-N 3.24Å; Q997-T1001 PolarHBondContact O-OG1 3.33Å
998F87.6Confident84.7Confident5 Ų544 Ų442%0.02223%0.227CC..Hα-helixtrans-56.2-46172.5173.5-95.1000111.6L902 L905 H909 Q994 F995 T1001 L1002 V1098 L1102L902-F998 HydrophobicContact CD1-CE2 4.48Å; L902-F998 HydrophobicContact CD1-CZ 3.91Å; L905-F998 HydrophobicContact CB-CE2 4.13Å; H909-F998 HydrophobicContact CB-CB 4.49Å; H909-F998 PolarHBondContact CD2-N 3.29Å; H909-F998 VanDerWaalsContact CD2-N 3.32Å; H909-F998 AromaticContact ND1-CD2 3.7Å; H909-F998 WeakPolarHBondContact NE2-CA 3.31Å; Q994-F998 WeakPolarHBondContact O-CB 3.34Å; Q994-F998 PolarHBondContact O-N 3.03Å; F995-F998 HydrophobicContact CD2-CD1 4.36Å; F995-F998 HydrophobicContact CE2-CD1 4.46Å; F995-F998 PolarHBondContact O-N 2.82Å; F998-T1001 WeakPolarHBondContact O-CB 3.41Å; F998-T1001 PolarHBondContact O-N 2.92Å; F998-L1002 HydrophobicContact CD1-CD1 4.32Å; F998-L1002 HydrophobicContact CE1-CD1 3.69Å; F998-L1002 HydrophobicContact CE1-CG 4.37Å; F998-L1002 HydrophobicContact CZ-CD1 4.05Å; F998-L1002 HydrophobicContact CZ-CG 4.44Å; F998-L1002 PolarHBondContact O-N 3.11Å; F998-L1002 VanDerWaalsContact O-N 3.08Å; F998-V1098 HydrophobicContact CE1-CG1 3.81Å; F998-V1098 HydrophobicContact CZ-CG1 3.9Å; F998-L1102 HydrophobicContact CE1-CD1 4.39Å; F998-L1102 HydrophobicContact CZ-CD1 4.29Å
999S86.8Confident84.8Confident13 Ų1341.2 Ų41.29%0.09121%0.207CC..Hα-helixtrans-60.2-48.2175.8-56.70000111.2F995 I996 Q997 T1001 L1002 Y1003F995-S999 WeakPolarHBondContact O-CB 3.3Å; F995-S999 PolarHBondContact O-N 3.43Å; F995-S999 PolarHBondContact O-OG 2.72Å; I996-S999 PolarHBondContact O-N 3.12Å; Q997-S999 VanDerWaalsContact C-N 3.32Å; Q997-S999 PolarHBondContact O-N 3.08Å; S999-T1001 VanDerWaalsContact C-N 3.27Å; S999-T1001 PolarHBondContact O-N 3.29Å; S999-L1002 WeakPolarHBondContact O-CB 3.41Å; S999-L1002 PolarHBondContact O-N 3.38Å; S999-L1002 VanDerWaalsContact O-N 3.15Å; S999-Y1003 WeakPolarHBondContact O-CD2 3.38Å; S999-Y1003 PolarHBondContact O-N 3.33Å; S999-Y1003 VanDerWaalsContact O-N 3.1Å
1000K85.1Confident84.7Confident110 Ų11041 Ų4148%0.47822%0.223SC..Hα-helixtrans-58-37.8174.7-71.7173.4-178.6178.60112.8I996 Q997 Y1003 N1004I996-K1000 WeakPolarHBondContact O-CG 3.49Å; I996-K1000 PolarHBondContact O-N 3.39Å; Q997-K1000 WeakPolarHBondContact O-CB 3.21Å; Q997-K1000 PolarHBondContact O-N 3.03Å; K1000-Y1003 PolarHBondContact O-N 2.82Å; K1000-N1004 VanDerWaalsContact O-CG 3.28Å; K1000-N1004 PolarHBondContact O-N 3.32Å
1001T86.1Confident84.7Confident9 Ų945.1 Ų45.16%0.05524%0.243CC..Hα-helixtrans-65.8-37.9177.9-58.90000111.5L905 H909 Q997 F998 S999 N1004 I1005L905-T1001 HydrophobicContact CD2-CG2 4.42Å; H909-T1001 PolarHBondContact CE1-OG1 2.98Å; H909-T1001 PolarHBondContact NE2-OG1 3.19Å; Q997-T1001 PolarHBondContact O-N 3.24Å; Q997-T1001 PolarHBondContact O-OG1 3.33Å; F998-T1001 WeakPolarHBondContact O-CB 3.41Å; F998-T1001 PolarHBondContact O-N 2.92Å; S999-T1001 VanDerWaalsContact C-N 3.27Å; S999-T1001 PolarHBondContact O-N 3.29Å; T1001-N1004 PolarHBondContact O-N 3.31Å; T1001-I1005 HydrophobicContact CG2-CD1 3.83Å; T1001-I1005 WeakPolarHBondContact O-CB 3.39Å; T1001-I1005 VanDerWaalsContact O-CG1 3.3Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.43Å; T1001-I1005 PolarHBondContact O-N 3.31Å
1002L86.1Confident84.8Confident5 Ų544.4 Ų44.43%0.02624%0.237CC..Hα-helixtrans-62.3-48.3170.8-66.3176.7000111.8L905 F998 S999 N1004 I1005 F1006 V1019 F1112L905-L1002 HydrophobicContact CD1-CD2 4.12Å; F998-L1002 HydrophobicContact CD1-CD1 4.32Å; F998-L1002 HydrophobicContact CE1-CD1 3.69Å; F998-L1002 HydrophobicContact CE1-CG 4.37Å; F998-L1002 HydrophobicContact CZ-CD1 4.05Å; F998-L1002 HydrophobicContact CZ-CG 4.44Å; F998-L1002 PolarHBondContact O-N 3.11Å; F998-L1002 VanDerWaalsContact O-N 3.08Å; S999-L1002 WeakPolarHBondContact O-CB 3.41Å; S999-L1002 PolarHBondContact O-N 3.38Å; S999-L1002 VanDerWaalsContact O-N 3.15Å; L1002-N1004 VanDerWaalsContact C-N 3.32Å; L1002-N1004 PolarHBondContact O-N 2.94Å; L1002-I1005 PolarHBondContact O-N 3.36Å; L1002-F1006 HydrophobicContact CB-CD2 4.48Å; L1002-F1006 HydrophobicContact CB-CE2 3.93Å; L1002-F1006 HydrophobicContact CB-CZ 4.31Å; L1002-F1006 HydrophobicContact CD2-CE2 4.48Å; L1002-F1006 HydrophobicContact CD2-CZ 4.04Å; L1002-F1006 WeakPolarHBondContact O-CD2 3.23Å; L1002-F1006 VanDerWaalsContact O-CG 3.23Å; L1002-F1006 WeakPolarHBondContact O-CG 3.18Å; L1002-F1006 PolarHBondContact O-N 2.97Å; L1002-F1006 VanDerWaalsContact O-N 3.11Å; L1002-V1019 HydrophobicContact CB-CG2 4.19Å; L1002-V1019 HydrophobicContact CD1-CG2 4.29Å; L1002-F1112 HydrophobicContact CD2-CE2 4.18Å; L1002-F1112 HydrophobicContact CD2-CZ 3.93Å
1003Y85.5Confident85Confident80 Ų8047.3 Ų47.331%0.31425%0.251SS..Hα-helixtrans-54.5-47.7174.6-77-80000111.6S999 K1000 I1005 F1006 H1007 Y1016 V1019S999-Y1003 WeakPolarHBondContact O-CD2 3.38Å; S999-Y1003 PolarHBondContact O-N 3.33Å; S999-Y1003 VanDerWaalsContact O-N 3.1Å; K1000-Y1003 PolarHBondContact O-N 2.82Å; Y1003-I1005 VanDerWaalsContact C-N 3.34Å; Y1003-I1005 PolarHBondContact O-N 3.04Å; Y1003-F1006 PolarHBondContact O-N 3.19Å; Y1003-H1007 PolarHBondContact O-N 3.03Å; Y1003-Y1016 AromaticContact CD1-CD1 3.28Å; Y1003-Y1016 HydrophobicContact CD1-CD1 3.28Å; Y1003-Y1016 HydrophobicContact CD1-CD2 4.29Å; Y1003-Y1016 AromaticContact CD1-CE1 3.48Å; Y1003-Y1016 HydrophobicContact CD1-CE1 3.48Å; Y1003-Y1016 VanDerWaalsContact CD1-CE1 3.48Å; Y1003-Y1016 HydrophobicContact CD1-CE2 4.45Å; Y1003-Y1016 AromaticContact CD1-CG 3.72Å; Y1003-Y1016 HydrophobicContact CD1-CG 3.72Å; Y1003-Y1016 AromaticContact CE1-CD1 3.67Å; Y1003-Y1016 HydrophobicContact CE1-CD1 3.67Å; Y1003-Y1016 HydrophobicContact CE1-CD2 4.43Å; Y1003-Y1016 HydrophobicContact CE1-CE1 4.31Å; Y1003-Y1016 AromaticContact CE1-CG 3.72Å; Y1003-Y1016 HydrophobicContact CE1-CG 3.72Å; Y1003-Y1016 HydrophobicContact CG-CD1 4.3Å; Y1003-Y1016 HydrophobicContact CG-CE1 4.24Å; Y1003-Y1016 WeakPolarHBondContact O-CE1 3.37Å; Y1003-Y1016 PolarHBondContact O-OH 3.16Å; Y1003-V1019 HydrophobicContact CD2-CG1 4.25Å; Y1003-V1019 HydrophobicContact CE2-CB 4.38Å; Y1003-V1019 HydrophobicContact CE2-CG1 3.54Å
1004N83.6Confident85.3Confident52 Ų5247.4 Ų47.428%0.27825%0.249SC..Hα-helixtrans-62.5-36.5179.6-71.6-17.7000113.4C859 K1000 T1001 L1002C859-N1004 WeakPolarHBondContact CA-O 3.44Å; K1000-N1004 VanDerWaalsContact O-CG 3.28Å; K1000-N1004 PolarHBondContact O-N 3.32Å; T1001-N1004 PolarHBondContact O-N 3.31Å; L1002-N1004 VanDerWaalsContact C-N 3.32Å; L1002-N1004 PolarHBondContact O-N 2.94Å
1005I84.9Confident85.5Confident5 Ų546.5 Ų46.53%0.02625%0.245CC..Hα-helixtrans-74.3-30.1-179-73.6167000112W856 L905 T1001 L1002 Y1003 F1111W856-I1005 HydrophobicContact CB-CG2 4.13Å; W856-I1005 HydrophobicContact CD2-CD1 4.19Å; W856-I1005 HydrophobicContact CD2-CG1 4.37Å; W856-I1005 HydrophobicContact CD2-CG2 3.93Å; W856-I1005 HydrophobicContact CE3-CD1 3.64Å; W856-I1005 HydrophobicContact CE3-CG1 4.05Å; W856-I1005 HydrophobicContact CE3-CG2 4.43Å; W856-I1005 HydrophobicContact CG-CG2 3.77Å; W856-I1005 HydrophobicContact CH2-CD1 4.35Å; W856-I1005 HydrophobicContact CZ3-CD1 3.73Å; L905-I1005 HydrophobicContact CD1-CD1 4.41Å; L905-I1005 HydrophobicContact CD2-CD1 3.77Å; T1001-I1005 HydrophobicContact CG2-CD1 3.83Å; T1001-I1005 WeakPolarHBondContact O-CB 3.39Å; T1001-I1005 VanDerWaalsContact O-CG1 3.3Å; T1001-I1005 WeakPolarHBondContact O-CG1 3.43Å; T1001-I1005 PolarHBondContact O-N 3.31Å; L1002-I1005 PolarHBondContact O-N 3.36Å; Y1003-I1005 VanDerWaalsContact C-N 3.34Å; Y1003-I1005 PolarHBondContact O-N 3.04Å; I1005-F1111 HydrophobicContact CG2-CE1 3.74Å; I1005-F1111 HydrophobicContact CG2-CZ 3.77Å
1006F86.8Confident85.7Confident0 Ų048.9 Ų48.90%025%0.254CS..Hα-helixtrans-87.9-11.1179.7-54.8-29.8000114.1L1002 Y1003 G1008 D1009 L1015 Y1016 V1019 I1108 F1111 F1112L1002-F1006 HydrophobicContact CB-CD2 4.48Å; L1002-F1006 HydrophobicContact CB-CE2 3.93Å; L1002-F1006 HydrophobicContact CB-CZ 4.31Å; L1002-F1006 HydrophobicContact CD2-CE2 4.48Å; L1002-F1006 HydrophobicContact CD2-CZ 4.04Å; L1002-F1006 WeakPolarHBondContact O-CD2 3.23Å; L1002-F1006 VanDerWaalsContact O-CG 3.23Å; L1002-F1006 WeakPolarHBondContact O-CG 3.18Å; L1002-F1006 PolarHBondContact O-N 2.97Å; L1002-F1006 VanDerWaalsContact O-N 3.11Å; Y1003-F1006 PolarHBondContact O-N 3.19Å; F1006-G1008 PolarHBondContact O-N 3.36Å; F1006-D1009 VanDerWaalsContact O-CB 3.32Å; F1006-D1009 WeakPolarHBondContact O-CB 3.46Å; F1006-D1009 PolarHBondContact O-N 3.41Å; F1006-D1009 VanDerWaalsContact O-N 3.15Å; F1006-L1015 HydrophobicContact CB-CB 4.03Å; F1006-L1015 HydrophobicContact CB-CD1 3.89Å; F1006-L1015 HydrophobicContact CD1-CD1 4.04Å; F1006-L1015 HydrophobicContact CD2-CB 3.64Å; F1006-L1015 HydrophobicContact CD2-CD1 4.5Å; F1006-L1015 HydrophobicContact CD2-CG 4.44Å; F1006-L1015 HydrophobicContact CE2-CB 4.19Å; F1006-L1015 HydrophobicContact CE2-CD2 4.47Å; F1006-L1015 HydrophobicContact CG-CB 3.87Å; F1006-L1015 HydrophobicContact CG-CD1 3.91Å; F1006-L1015 HydrophobicContact CG-CG 4.33Å; F1006-L1015 HydrophobicContact CZ-CD2 4.47Å; F1006-Y1016 HydrophobicContact CB-CD1 4.4Å; F1006-Y1016 HydrophobicContact CB-CE1 3.94Å; F1006-V1019 HydrophobicContact CD2-CG2 4.15Å; F1006-V1019 HydrophobicContact CE2-CG2 3.58Å; F1006-I1108 HydrophobicContact CZ-CG2 4.37Å; F1006-F1111 AromaticContact CD1-CD1 3.82Å; F1006-F1111 HydrophobicContact CD1-CD1 3.82Å; F1006-F1111 HydrophobicContact CD1-CD2 4.08Å; F1006-F1111 AromaticContact CD1-CE1 3.66Å; F1006-F1111 HydrophobicContact CD1-CE1 3.66Å; F1006-F1111 AromaticContact CD1-CE2 3.92Å; F1006-F1111 HydrophobicContact CD1-CE2 3.92Å; F1006-F1111 HydrophobicContact CD1-CG 4.03Å; F1006-F1111 AromaticContact CD1-CZ 3.7Å; F1006-F1111 HydrophobicContact CD1-CZ 3.7Å; F1006-F1111 AromaticContact CE1-CD1 3.42Å; F1006-F1111 HydrophobicContact CE1-CD1 3.42Å; F1006-F1111 VanDerWaalsContact CE1-CD1 3.42Å; F1006-F1111 HydrophobicContact CE1-CD2 4.42Å; F1006-F1111 AromaticContact CE1-CE1 3.53Å; F1006-F1111 HydrophobicContact CE1-CE1 3.53Å; F1006-F1111 AromaticContact CE1-CG 3.9Å; F1006-F1111 HydrophobicContact CE1-CG 3.9Å; F1006-F1111 HydrophobicContact CE1-CZ 4.09Å; F1006-F1112 HydrophobicContact CE1-CE2 4.01Å; F1006-F1112 HydrophobicContact CE1-CZ 4.15Å; F1006-F1112 AromaticContact CZ-CE2 3.92Å; F1006-F1112 HydrophobicContact CZ-CE2 3.92Å; F1006-F1112 HydrophobicContact CZ-CZ 4.33Å
1007H82.8Confident85.9Confident87 Ų8752.8 Ų52.840%0.40326%0.264SS..THydrogen-bonded Turntrans-58.1133.2178.6-174.549000111.5F858 Y1003 D1009 E1012 Y1016F858-H1007 WeakPolarHBondContact CB-O 3.36Å; Y1003-H1007 PolarHBondContact O-N 3.03Å; H1007-D1009 PolarHBondContact O-N 2.93Å; H1007-E1012 IonicContact CE1-OE1 2.71Å; H1007-E1012 IonicContact CG-OE1 2.85Å; H1007-E1012 IonicContact ND1-OE1 3.22Å; H1007-E1012 PolarHBondContact ND1-OE1 2.99Å; H1007-E1012 IonicContact ND1-OE2 3.76Å; H1007-Y1016 WeakPolarHBondContact CA-OH 3.32Å
1008G75.3Confident86.1Confident37 Ų3751 Ų5138%0.38126%0.256SS..THydrogen-bonded Turntrans75.61.8-178.300000115.5F1006 E1012F1006-G1008 PolarHBondContact O-N 3.36Å; G1008-E1012 PolarHBondContact N-OE2 2.75Å
1009D83.4Confident86.2Confident17 Ų1750.9 Ų50.99%0.09126%0.256CS..  trans-72.5144.3169.9-163-91.1000110.9F1006 H1007 E1011 E1012 L1015 F1111 R1114F1006-D1009 VanDerWaalsContact O-CB 3.32Å; F1006-D1009 WeakPolarHBondContact O-CB 3.46Å; F1006-D1009 PolarHBondContact O-N 3.41Å; F1006-D1009 VanDerWaalsContact O-N 3.15Å; H1007-D1009 PolarHBondContact O-N 2.93Å; D1009-E1011 PolarHBondContact O-N 3.33Å; D1009-E1011 PolarHBondContact OD1-N 3.15Å; D1009-E1012 WeakPolarHBondContact O-CB 3.47Å; D1009-E1012 PolarHBondContact O-N 3.1Å; D1009-L1015 HydrophobicContact CB-CD1 4.19Å; D1009-F1111 HydrophobicContact CB-CE2 4.32Å; D1009-F1111 WeakPolarHBondContact OD2-CE2 3.4Å; D1009-R1114 IonicContact OD1-CZ 3.67Å; D1009-R1114 IonicContact OD1-NH1 3.26Å; D1009-R1114 IonicContact OD1-NH2 3.09Å; D1009-R1114 PolarHBondContact OD1-NH2 2.9Å; D1009-R1114 IonicContact OD2-CZ 3.37Å; D1009-R1114 IonicContact OD2-NH1 2.81Å; D1009-R1114 PolarHBondContact OD2-NH1 3.44Å; D1009-R1114 IonicContact OD2-NH2 3.3Å; D1009-R1114 PolarHBondContact OD2-NH2 3.5Å
1010P84.1Confident86.2Confident127 Ų12752.5 Ų52.583%0.82527%0.27SS*.THydrogen-bonded Turntrans-55.1-23.4173.1-27.336.1000114.5
1011E86.6Confident86.3Confident88 Ų8852.5 Ų52.541%0.41127%0.272SS..THydrogen-bonded Turntrans-103.715.7179.6-59.4-179.5122.600113.2D1009 E1013 S1014 L1015 R1114D1009-E1011 PolarHBondContact O-N 3.33Å; D1009-E1011 PolarHBondContact OD1-N 3.15Å; E1011-E1013 PolarHBondContact O-N 3.32Å; E1011-S1014 PolarHBondContact O-N 3Å; E1011-S1014 PolarHBondContact O-OG 3.07Å; E1011-L1015 HydrophobicContact CB-CD1 4.24Å; E1011-L1015 HydrophobicContact CB-CG 4.41Å; E1011-L1015 WeakPolarHBondContact O-CG 3.4Å; E1011-L1015 PolarHBondContact O-N 3.08Å; E1011-R1114 IonicContact OE2-NH2 3.04Å; E1011-R1114 PolarHBondContact OE2-NH2 2.96Å
1012E87.9Confident86.4Confident46 Ų4652.3 Ų52.322%0.21527%0.27CS..Hα-helixtrans-47.2-49.9-174.8177.8172.2-174.800113.5H1007 G1008 D1009 S1014 L1015 Y1016H1007-E1012 IonicContact CE1-OE1 2.71Å; H1007-E1012 IonicContact CG-OE1 2.85Å; H1007-E1012 IonicContact ND1-OE1 3.22Å; H1007-E1012 PolarHBondContact ND1-OE1 2.99Å; H1007-E1012 IonicContact ND1-OE2 3.76Å; G1008-E1012 PolarHBondContact N-OE2 2.75Å; D1009-E1012 WeakPolarHBondContact O-CB 3.47Å; D1009-E1012 PolarHBondContact O-N 3.1Å; E1012-S1014 PolarHBondContact O-N 3.36Å; E1012-L1015 PolarHBondContact O-N 2.86Å; E1012-Y1016 HydrophobicContact CG-CD2 3.92Å; E1012-Y1016 HydrophobicContact CG-CE1 4.02Å; E1012-Y1016 HydrophobicContact CG-CE2 3.34Å; E1012-Y1016 HydrophobicContact CG-CG 4.47Å; E1012-Y1016 VanDerWaalsContact CG-CZ 3.41Å; E1012-Y1016 WeakPolarHBondContact O-CB 3.44Å; E1012-Y1016 VanDerWaalsContact O-CG 3.28Å; E1012-Y1016 PolarHBondContact O-N 3.48Å; E1012-Y1016 WeakPolarHBondContact OE1-CE2 3.41Å; E1012-Y1016 PolarHBondContact OE1-OH 3.44Å
1013E87.5Confident86.4Confident128 Ų12853.8 Ų53.860%0.59828%0.279SS*.Hα-helixtrans-62.6-39.9179.9-69.1-163.6166.700113.4E1011 R1017E1011-E1013 PolarHBondContact O-N 3.32Å; E1013-R1017 VanDerWaalsContact O-CG 3.29Å; E1013-R1017 WeakPolarHBondContact O-CG 3.48Å; E1013-R1017 PolarHBondContact O-N 2.71Å; E1013-R1017 VanDerWaalsContact O-N 3.09Å; E1013-R1017 IonicContact OE2-CZ 2.68Å; E1013-R1017 IonicContact OE2-NH1 2.78Å; E1013-R1017 PolarHBondContact OE2-NH1 3.14Å; E1013-R1017 IonicContact OE2-NH2 3.32Å; E1013-R1017 PolarHBondContact OE2-NH2 3.28Å
1014S88.3Confident86.4Confident47 Ų4752.2 Ų52.233%0.32928%0.28SS..Hα-helixtrans-67.5-41.8177.415.80000111.3E1011 E1012 R1017 A1018E1011-S1014 PolarHBondContact O-N 3Å; E1011-S1014 PolarHBondContact O-OG 3.07Å; E1012-S1014 PolarHBondContact O-N 3.36Å; S1014-R1017 PolarHBondContact O-N 3.08Å; S1014-A1018 WeakPolarHBondContact O-CB 3.4Å; S1014-A1018 PolarHBondContact O-N 2.94Å
1015L89.8Confident86.5Confident0 Ų052.6 Ų52.60%028%0.282CS..Hα-helixtrans-63.6-43.2177.2-68.5166.6000111.3F1006 D1009 E1011 E1012 A1018 V1019 A1107 I1108 F1111F1006-L1015 HydrophobicContact CB-CB 4.03Å; F1006-L1015 HydrophobicContact CB-CD1 3.89Å; F1006-L1015 HydrophobicContact CD1-CD1 4.04Å; F1006-L1015 HydrophobicContact CD2-CB 3.64Å; F1006-L1015 HydrophobicContact CD2-CD1 4.5Å; F1006-L1015 HydrophobicContact CD2-CG 4.44Å; F1006-L1015 HydrophobicContact CE2-CB 4.19Å; F1006-L1015 HydrophobicContact CE2-CD2 4.47Å; F1006-L1015 HydrophobicContact CG-CB 3.87Å; F1006-L1015 HydrophobicContact CG-CD1 3.91Å; F1006-L1015 HydrophobicContact CG-CG 4.33Å; F1006-L1015 HydrophobicContact CZ-CD2 4.47Å; D1009-L1015 HydrophobicContact CB-CD1 4.19Å; E1011-L1015 HydrophobicContact CB-CD1 4.24Å; E1011-L1015 HydrophobicContact CB-CG 4.41Å; E1011-L1015 WeakPolarHBondContact O-CG 3.4Å; E1011-L1015 PolarHBondContact O-N 3.08Å; E1012-L1015 PolarHBondContact O-N 2.86Å; L1015-A1018 PolarHBondContact O-N 2.99Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.34Å; L1015-V1019 PolarHBondContact O-N 3.06Å; L1015-A1107 HydrophobicContact CD2-CB 4.19Å; L1015-A1107 VanDerWaalsContact CD2-O 3.31Å; L1015-A1107 WeakPolarHBondContact CD2-O 3.3Å; L1015-I1108 HydrophobicContact CD2-CG1 4.22Å; L1015-F1111 HydrophobicContact CD1-CB 4.38Å; L1015-F1111 HydrophobicContact CD1-CD2 3.75Å; L1015-F1111 HydrophobicContact CD1-CE2 4.41Å; L1015-F1111 HydrophobicContact CD1-CG 4.27Å; L1015-F1111 HydrophobicContact CD2-CB 3.83Å; L1015-F1111 HydrophobicContact CD2-CG 4.41Å
1016Y90.9Very high86.5Confident57 Ų5752.4 Ų52.422%0.22428%0.281CS..Hα-helixtrans-64-40.8175.3-69.5-7.9000113.1Y1003 F1006 H1007 E1012 V1019 A1020Y1003-Y1016 AromaticContact CD1-CD1 3.28Å; Y1003-Y1016 HydrophobicContact CD1-CD1 3.28Å; Y1003-Y1016 HydrophobicContact CD1-CD2 4.29Å; Y1003-Y1016 AromaticContact CD1-CE1 3.48Å; Y1003-Y1016 HydrophobicContact CD1-CE1 3.48Å; Y1003-Y1016 VanDerWaalsContact CD1-CE1 3.48Å; Y1003-Y1016 HydrophobicContact CD1-CE2 4.45Å; Y1003-Y1016 AromaticContact CD1-CG 3.72Å; Y1003-Y1016 HydrophobicContact CD1-CG 3.72Å; Y1003-Y1016 AromaticContact CE1-CD1 3.67Å; Y1003-Y1016 HydrophobicContact CE1-CD1 3.67Å; Y1003-Y1016 HydrophobicContact CE1-CD2 4.43Å; Y1003-Y1016 HydrophobicContact CE1-CE1 4.31Å; Y1003-Y1016 AromaticContact CE1-CG 3.72Å; Y1003-Y1016 HydrophobicContact CE1-CG 3.72Å; Y1003-Y1016 HydrophobicContact CG-CD1 4.3Å; Y1003-Y1016 HydrophobicContact CG-CE1 4.24Å; Y1003-Y1016 WeakPolarHBondContact O-CE1 3.37Å; Y1003-Y1016 PolarHBondContact O-OH 3.16Å; F1006-Y1016 HydrophobicContact CB-CD1 4.4Å; F1006-Y1016 HydrophobicContact CB-CE1 3.94Å; H1007-Y1016 WeakPolarHBondContact CA-OH 3.32Å; E1012-Y1016 HydrophobicContact CG-CD2 3.92Å; E1012-Y1016 HydrophobicContact CG-CE1 4.02Å; E1012-Y1016 HydrophobicContact CG-CE2 3.34Å; E1012-Y1016 HydrophobicContact CG-CG 4.47Å; E1012-Y1016 VanDerWaalsContact CG-CZ 3.41Å; E1012-Y1016 WeakPolarHBondContact O-CB 3.44Å; E1012-Y1016 VanDerWaalsContact O-CG 3.28Å; E1012-Y1016 PolarHBondContact O-N 3.48Å; E1012-Y1016 WeakPolarHBondContact OE1-CE2 3.41Å; E1012-Y1016 PolarHBondContact OE1-OH 3.44Å; Y1016-V1019 PolarHBondContact O-N 2.73Å; Y1016-A1020 WeakPolarHBondContact O-CB 3.23Å; Y1016-A1020 PolarHBondContact O-N 3.39Å
1017R89.9Confident86.3Confident155 Ų15555.5 Ų55.559%0.58530%0.297SS*.Hα-helixtrans-62.3-42.9173.9-72.2172-167.9122.27.3111.6E1013 S1014 A1020 H1021E1013-R1017 VanDerWaalsContact O-CG 3.29Å; E1013-R1017 WeakPolarHBondContact O-CG 3.48Å; E1013-R1017 PolarHBondContact O-N 2.71Å; E1013-R1017 VanDerWaalsContact O-N 3.09Å; E1013-R1017 IonicContact OE2-CZ 2.68Å; E1013-R1017 IonicContact OE2-NH1 2.78Å; E1013-R1017 PolarHBondContact OE2-NH1 3.14Å; E1013-R1017 IonicContact OE2-NH2 3.32Å; E1013-R1017 PolarHBondContact OE2-NH2 3.28Å; S1014-R1017 PolarHBondContact O-N 3.08Å; R1017-A1020 PolarHBondContact O-N 3.46Å; R1017-H1021 WeakPolarHBondContact O-CB 3.4Å; R1017-H1021 PolarHBondContact O-N 2.94Å
1018A89Confident86.2Confident4 Ų459 Ų593%0.03331%0.307CS..Hα-helixtrans-63.3-43.8177.200000112.1S1014 L1015 H1021 V1022 E1105 I1108S1014-A1018 WeakPolarHBondContact O-CB 3.4Å; S1014-A1018 PolarHBondContact O-N 2.94Å; L1015-A1018 PolarHBondContact O-N 2.99Å; A1018-H1021 PolarHBondContact O-N 3.18Å; A1018-V1022 WeakPolarHBondContact O-CG2 3.3Å; A1018-V1022 PolarHBondContact O-N 3.36Å; A1018-E1105 HydrophobicContact CB-CB 4.08Å; A1018-E1105 HydrophobicContact CB-CG 3.94Å; A1018-E1105 WeakPolarHBondContact CB-OE2 3.3Å; A1018-I1108 HydrophobicContact CB-CD1 3.63Å; A1018-I1108 HydrophobicContact CB-CG1 3.72Å
1019V89.4Confident86.3Confident2 Ų261.5 Ų61.51%0.01231%0.31CS..Hα-helixtrans-60.6-48.2174.2174.10000110.7L1002 Y1003 F1006 L1015 Y1016 H1021 V1022 T1023 I1108L1002-V1019 HydrophobicContact CB-CG2 4.19Å; L1002-V1019 HydrophobicContact CD1-CG2 4.29Å; Y1003-V1019 HydrophobicContact CD2-CG1 4.25Å; Y1003-V1019 HydrophobicContact CE2-CB 4.38Å; Y1003-V1019 HydrophobicContact CE2-CG1 3.54Å; F1006-V1019 HydrophobicContact CD2-CG2 4.15Å; F1006-V1019 HydrophobicContact CE2-CG2 3.58Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.34Å; L1015-V1019 PolarHBondContact O-N 3.06Å; Y1016-V1019 PolarHBondContact O-N 2.73Å; V1019-H1021 VanDerWaalsContact C-N 3.31Å; V1019-H1021 PolarHBondContact O-N 2.91Å; V1019-V1022 PolarHBondContact O-N 3.21Å; V1019-T1023 WeakPolarHBondContact O-CB 3.37Å; V1019-T1023 PolarHBondContact O-N 2.93Å; V1019-T1023 PolarHBondContact O-OG1 3.2Å; V1019-T1023 VanDerWaalsContact O-OG1 3.06Å; V1019-I1108 HydrophobicContact CG2-CD1 3.92Å
1020A87.7Confident86.1Confident47 Ų4762 Ų6239%0.38831%0.311SS..Hα-helixtrans-60.4-39.1178.800000112.8Y1016 R1017 S1024Y1016-A1020 WeakPolarHBondContact O-CB 3.23Å; Y1016-A1020 PolarHBondContact O-N 3.39Å; R1017-A1020 PolarHBondContact O-N 3.46Å; A1020-S1024 WeakPolarHBondContact O-CB 3.18Å; A1020-S1024 PolarHBondContact O-N 3.47Å
1021H88Confident85.6Confident110 Ų11060.1 Ų60.151%0.50929%0.292SS..Hα-helixtrans-63.8-47.9175.1-177.9-132.1000111.6R1017 A1018 V1019 S1024 L1025 E1105R1017-H1021 WeakPolarHBondContact O-CB 3.4Å; R1017-H1021 PolarHBondContact O-N 2.94Å; A1018-H1021 PolarHBondContact O-N 3.18Å; V1019-H1021 VanDerWaalsContact C-N 3.31Å; V1019-H1021 PolarHBondContact O-N 2.91Å; H1021-S1024 PolarHBondContact O-N 3.07Å; H1021-L1025 WeakPolarHBondContact O-CB 3.24Å; H1021-L1025 PolarHBondContact O-N 3.43Å; H1021-E1105 IonicContact CE1-OE1 3.41Å; H1021-E1105 IonicContact CG-OE1 3.3Å; H1021-E1105 IonicContact ND1-OE1 2.69Å; H1021-E1105 PolarHBondContact ND1-OE1 2.87Å
1022V87.3Confident84.8Confident5 Ų559.8 Ų59.83%0.0330%0.295CS..Hα-helixtrans-64.4-42.4178.2167.40000112.4A1018 V1019 S1024 L1025 L1026 S1101 L1102 E1105A1018-V1022 WeakPolarHBondContact O-CG2 3.3Å; A1018-V1022 PolarHBondContact O-N 3.36Å; V1019-V1022 PolarHBondContact O-N 3.21Å; V1022-S1024 VanDerWaalsContact C-N 3.3Å; V1022-S1024 PolarHBondContact O-N 2.99Å; V1022-L1025 PolarHBondContact O-N 3.27Å; V1022-L1026 HydrophobicContact CG1-CD1 3.81Å; V1022-L1026 HydrophobicContact CG1-CG 4.39Å; V1022-L1026 WeakPolarHBondContact O-CB 3.42Å; V1022-L1026 WeakPolarHBondContact O-CG 3.23Å; V1022-L1026 PolarHBondContact O-N 3.19Å; V1022-S1101 WeakPolarHBondContact CG2-O 3.43Å; V1022-L1102 HydrophobicContact CB-CD2 4.07Å; V1022-L1102 HydrophobicContact CG1-CD2 3.64Å; V1022-L1102 HydrophobicContact CG1-CG 3.9Å; V1022-L1102 HydrophobicContact CG2-CD2 4.06Å; V1022-E1105 HydrophobicContact CG2-CG 3.44Å; V1022-E1105 VanDerWaalsContact CG2-CG 3.44Å
1023T86.6Confident83.7Confident35 Ų3559 Ų5922%0.21530%0.299CS..Hα-helixtrans-57.7-43.8172.8-63.50000111.1F995 V1019 L1027F995-T1023 HydrophobicContact CE1-CG2 4.16Å; V1019-T1023 WeakPolarHBondContact O-CB 3.37Å; V1019-T1023 PolarHBondContact O-N 2.93Å; V1019-T1023 PolarHBondContact O-OG1 3.2Å; V1019-T1023 VanDerWaalsContact O-OG1 3.06Å; T1023-L1027 HydrophobicContact CG2-CD1 4.04Å; T1023-L1027 VanDerWaalsContact O-CG 3.3Å; T1023-L1027 WeakPolarHBondContact O-CG 3.44Å; T1023-L1027 PolarHBondContact O-N 3.27Å; T1023-L1027 VanDerWaalsContact O-N 3.16Å
1024S85.1Confident82.7Confident48 Ų4858.1 Ų58.134%0.33629%0.291SS..Hα-helixtrans-67.5-39.3177.6-170.10000112.8A1020 H1021 V1022 R1028A1020-S1024 WeakPolarHBondContact O-CB 3.18Å; A1020-S1024 PolarHBondContact O-N 3.47Å; H1021-S1024 PolarHBondContact O-N 3.07Å; V1022-S1024 VanDerWaalsContact C-N 3.3Å; V1022-S1024 PolarHBondContact O-N 2.99Å; S1024-R1028 WeakPolarHBondContact O-CB 3.49Å; S1024-R1028 WeakPolarHBondContact O-CG 3.5Å; S1024-R1028 PolarHBondContact O-N 2.68Å; S1024-R1028 VanDerWaalsContact O-N 3.08Å
1025L84.8Confident81.4Confident60 Ų6063.5 Ų63.531%0.31430%0.304SS..Hα-helixtrans-63.1-48.3176.8-178.864.2000111.5H1021 V1022 L1027 R1028 M1029H1021-L1025 WeakPolarHBondContact O-CB 3.24Å; H1021-L1025 PolarHBondContact O-N 3.43Å; V1022-L1025 PolarHBondContact O-N 3.27Å; L1025-L1027 PolarHBondContact O-N 2.99Å; L1025-R1028 PolarHBondContact O-N 2.88Å; L1025-M1029 HydrophobicContact CD1-SD 4.44Å; L1025-M1029 HydrophobicContact CG-SD 4.09Å; L1025-M1029 WeakPolarHBondContact O-CG 3.44Å; L1025-M1029 PolarHBondContact O-N 3.11Å
1026L85.1Confident79.7Confident1 Ų170.2 Ų70.21%0.00534%0.339CS..Hα-helixtrans-59.9-46.8179.2-79168.6000112F995 V1022 R1028 M1029 E1030 F1093 Q1097 V1098 S1101F995-L1026 HydrophobicContact CE2-CD1 3.65Å; F995-L1026 HydrophobicContact CZ-CB 4.41Å; F995-L1026 HydrophobicContact CZ-CD1 3.64Å; V1022-L1026 HydrophobicContact CG1-CD1 3.81Å; V1022-L1026 HydrophobicContact CG1-CG 4.39Å; V1022-L1026 WeakPolarHBondContact O-CB 3.42Å; V1022-L1026 WeakPolarHBondContact O-CG 3.23Å; V1022-L1026 PolarHBondContact O-N 3.19Å; L1026-R1028 VanDerWaalsContact C-N 3.34Å; L1026-R1028 PolarHBondContact O-N 3.48Å; L1026-M1029 PolarHBondContact O-N 3.13Å; L1026-E1030 WeakPolarHBondContact O-CB 3.3Å; L1026-E1030 PolarHBondContact O-N 2.9Å; L1026-F1093 HydrophobicContact CB-CD1 4.46Å; L1026-F1093 HydrophobicContact CB-CE1 3.81Å; L1026-F1093 HydrophobicContact CB-CE2 4.24Å; L1026-F1093 HydrophobicContact CB-CZ 3.7Å; L1026-F1093 HydrophobicContact CD2-CD1 4.02Å; L1026-F1093 HydrophobicContact CD2-CE1 4.11Å; L1026-F1093 WeakPolarHBondContact O-CE1 3.17Å; L1026-Q1097 HydrophobicContact CD2-CB 4.09Å; L1026-V1098 HydrophobicContact CD1-CG2 4.37Å; L1026-S1101 VanDerWaalsContact CD2-OG 3.3Å; L1026-S1101 WeakPolarHBondContact CD2-OG 3.42Å
1027L83.6Confident77.9Confident64 Ų6475.4 Ų75.434%0.33537%0.365SS..Hα-helixtrans-62.7-38.7176.8-69169.1000112.3T1023 L1025 E1030 E1031 W1091 F1093T1023-L1027 HydrophobicContact CG2-CD1 4.04Å; T1023-L1027 VanDerWaalsContact O-CG 3.3Å; T1023-L1027 WeakPolarHBondContact O-CG 3.44Å; T1023-L1027 PolarHBondContact O-N 3.27Å; T1023-L1027 VanDerWaalsContact O-N 3.16Å; L1025-L1027 PolarHBondContact O-N 2.99Å; L1027-E1030 PolarHBondContact O-N 2.7Å; L1027-E1031 WeakPolarHBondContact O-CB 3.02Å; L1027-E1031 PolarHBondContact O-N 2.83Å; L1027-W1091 HydrophobicContact CD2-CD2 4.33Å; L1027-W1091 HydrophobicContact CD2-CH2 4.11Å; L1027-W1091 HydrophobicContact CD2-CZ2 3.8Å; L1027-W1091 HydrophobicContact CD2-CZ3 4.48Å; L1027-F1093 HydrophobicContact CD2-CZ 4.32Å
1028R79.9Confident75.9Confident162 Ų16275 Ų7561%0.61137%0.37SS*.Hα-helixtrans-67.5-38.9174.4-75.1174.1176.31791.9113S1024 L1025 L1026 E1030 E1031 V1032S1024-R1028 WeakPolarHBondContact O-CB 3.49Å; S1024-R1028 WeakPolarHBondContact O-CG 3.5Å; S1024-R1028 PolarHBondContact O-N 2.68Å; S1024-R1028 VanDerWaalsContact O-N 3.08Å; L1025-R1028 PolarHBondContact O-N 2.88Å; L1026-R1028 VanDerWaalsContact C-N 3.34Å; L1026-R1028 PolarHBondContact O-N 3.48Å; R1028-E1030 VanDerWaalsContact C-N 3.26Å; R1028-E1030 PolarHBondContact O-N 3.34Å; R1028-E1031 PolarHBondContact O-N 3.01Å; R1028-V1032 WeakPolarHBondContact O-CB 3.33Å; R1028-V1032 VanDerWaalsContact O-CG2 3.29Å; R1028-V1032 WeakPolarHBondContact O-CG2 3.4Å; R1028-V1032 PolarHBondContact O-N 3.47Å
1029M78.4Confident73.7Confident88 Ų8880.6 Ų80.643%0.43341%0.406SS..Hα-helixtrans-63.8-35.4175.8-73.4174.665.600111.7L1025 L1026 G1033L1025-M1029 HydrophobicContact CD1-SD 4.44Å; L1025-M1029 HydrophobicContact CG-SD 4.09Å; L1025-M1029 WeakPolarHBondContact O-CG 3.44Å; L1025-M1029 PolarHBondContact O-N 3.11Å; L1026-M1029 PolarHBondContact O-N 3.13Å; M1029-G1033 PolarHBondContact O-N 3.5Å
1030E78.7Confident71.5Confident28 Ų2886.2 Ų86.213%0.13145%0.445CS..Hα-helixtrans-71.4-45.2176.5-169-79.9132.200111.9L1026 L1027 R1028 V1032 G1033 R1034 W1091 F1093L1026-E1030 WeakPolarHBondContact O-CB 3.3Å; L1026-E1030 PolarHBondContact O-N 2.9Å; L1027-E1030 PolarHBondContact O-N 2.7Å; R1028-E1030 VanDerWaalsContact C-N 3.26Å; R1028-E1030 PolarHBondContact O-N 3.34Å; E1030-V1032 VanDerWaalsContact C-N 3.34Å; E1030-V1032 PolarHBondContact O-N 3.02Å; E1030-G1033 WeakPolarHBondContact O-CA 3.27Å; E1030-G1033 PolarHBondContact O-N 3.19Å; E1030-G1033 VanDerWaalsContact O-N 3.09Å; E1030-R1034 PolarHBondContact O-N 2.96Å; E1030-R1034 IonicContact OE1-CZ 3.69Å; E1030-R1034 IonicContact OE1-NE 2.73Å; E1030-R1034 PolarHBondContact OE1-NE 3.41Å; E1030-R1034 IonicContact OE1-NH2 3.59Å; E1030-R1034 PolarHBondContact OE1-NH2 2.94Å; E1030-R1034 IonicContact OE2-CZ 3.62Å; E1030-R1034 IonicContact OE2-NE 2.66Å; E1030-R1034 IonicContact OE2-NH2 3.53Å; E1030-R1034 PolarHBondContact OE2-NH2 2.93Å; E1030-W1091 HydrophobicContact CG-CB 3.7Å; E1030-W1091 HydrophobicContact CG-CG 4.41Å; E1030-W1091 WeakPolarHBondContact OE1-CB 3.15Å; E1030-F1093 HydrophobicContact CB-CE1 3.89Å; E1030-F1093 HydrophobicContact CB-CZ 4.21Å; E1030-F1093 HydrophobicContact CG-CE1 4.27Å
1031E73.9Confident69.1Low88 Ų8889.3 Ų89.341%0.41146%0.464SS..Hα-helixtrans-58.2-43.1172.7-170.1-173175.200112.2L1027 R1028 R1034 R1035L1027-E1031 WeakPolarHBondContact O-CB 3.02Å; L1027-E1031 PolarHBondContact O-N 2.83Å; R1028-E1031 PolarHBondContact O-N 3.01Å; E1031-R1034 PolarHBondContact O-N 3.4Å; E1031-R1035 WeakPolarHBondContact O-CG 3.46Å; E1031-R1035 PolarHBondContact O-N 3.12Å; E1031-R1035 IonicContact OE1-CZ 2.85Å; E1031-R1035 IonicContact OE1-NE 3.02Å; E1031-R1035 IonicContact OE1-NH2 3.18Å; E1031-R1035 PolarHBondContact OE1-NH2 3.3Å
1032V69.6Low66.9Low80 Ų8089.7 Ų89.749%0.48548%0.476SS..Hα-helixtrans-67.7-37.1174.3171.10000111.4R1028 E1030 R1035 L1036R1028-V1032 WeakPolarHBondContact O-CB 3.33Å; R1028-V1032 VanDerWaalsContact O-CG2 3.29Å; R1028-V1032 WeakPolarHBondContact O-CG2 3.4Å; R1028-V1032 PolarHBondContact O-N 3.47Å; E1030-V1032 VanDerWaalsContact C-N 3.34Å; E1030-V1032 PolarHBondContact O-N 3.02Å; V1032-R1035 PolarHBondContact O-N 2.98Å; V1032-L1036 HydrophobicContact CG1-CD1 4.02Å; V1032-L1036 WeakPolarHBondContact O-CG 3.44Å; V1032-L1036 PolarHBondContact O-N 3.2Å; V1032-L1036 VanDerWaalsContact O-N 3.14Å
1033G65.3Low64.8Low29 Ų2995.8 Ų95.830%0.29952%0.516SS..Hα-helixtrans-60-44.2174.600000112.7M1029 E1030 L1036 Q1037M1029-G1033 PolarHBondContact O-N 3.5Å; E1030-G1033 WeakPolarHBondContact O-CA 3.27Å; E1030-G1033 PolarHBondContact O-N 3.19Å; E1030-G1033 VanDerWaalsContact O-N 3.09Å; G1033-L1036 PolarHBondContact O-N 2.81Å; G1033-Q1037 WeakPolarHBondContact O-CG 3.38Å; G1033-Q1037 PolarHBondContact O-N 2.59Å
1034R66.3Low62.3Low111 Ų11199 Ų9942%0.41955%0.546SS..Hα-helixtrans-61-47.7173.4-86.3-170.4-87.1170.9-6.8112.2E1030 E1031 L1036 Q1037 E1038E1030-R1034 PolarHBondContact O-N 2.96Å; E1030-R1034 IonicContact OE1-CZ 3.69Å; E1030-R1034 IonicContact OE1-NE 2.73Å; E1030-R1034 PolarHBondContact OE1-NE 3.41Å; E1030-R1034 IonicContact OE1-NH2 3.59Å; E1030-R1034 PolarHBondContact OE1-NH2 2.94Å; E1030-R1034 IonicContact OE2-CZ 3.62Å; E1030-R1034 IonicContact OE2-NE 2.66Å; E1030-R1034 IonicContact OE2-NH2 3.53Å; E1030-R1034 PolarHBondContact OE2-NH2 2.93Å; E1031-R1034 PolarHBondContact O-N 3.4Å; R1034-L1036 PolarHBondContact O-N 3.09Å; R1034-L1036 VanDerWaalsContact O-N 3.11Å; R1034-Q1037 PolarHBondContact O-N 3Å; R1034-E1038 PolarHBondContact O-N 2.69Å
1035R59.4Low59.8Low160 Ų160106 Ų10660%0.60457%0.573SS**Hα-helixtrans-61.3-19.1177.3-67.3173-172.5-147.36.9114.3E1031 V1032E1031-R1035 WeakPolarHBondContact O-CG 3.46Å; E1031-R1035 PolarHBondContact O-N 3.12Å; E1031-R1035 IonicContact OE1-CZ 2.85Å; E1031-R1035 IonicContact OE1-NE 3.02Å; E1031-R1035 IonicContact OE1-NH2 3.18Å; E1031-R1035 PolarHBondContact OE1-NH2 3.3Å; V1032-R1035 PolarHBondContact O-N 2.98Å
1036L55.8Low57.4Low141 Ų141107.9 Ų107.974%0.73860%0.598SS**THydrogen-bonded Turntrans-93-10.7175-71.2168.5000113.7V1032 G1033 R1034V1032-L1036 HydrophobicContact CG1-CD1 4.02Å; V1032-L1036 WeakPolarHBondContact O-CG 3.44Å; V1032-L1036 PolarHBondContact O-N 3.2Å; V1032-L1036 VanDerWaalsContact O-N 3.14Å; G1033-L1036 PolarHBondContact O-N 2.81Å; R1034-L1036 PolarHBondContact O-N 3.09Å; R1034-L1036 VanDerWaalsContact O-N 3.11Å
1037Q52.5Low54.8Low166 Ų166114.6 Ų114.678%0.77664%0.639SS**THydrogen-bonded Turntrans-102.2-6.4178.2-70.9-178.4-600113.3G1033 R1034G1033-Q1037 WeakPolarHBondContact O-CG 3.38Å; G1033-Q1037 PolarHBondContact O-N 2.59Å; R1034-Q1037 PolarHBondContact O-N 3Å
1038E46.9Very low52.3Low145 Ų145119.9 Ų119.968%0.67866%0.662SS**SBendtrans-64.2125.6167.5-70.1-177.8174.800110.6R1034 S1040R1034-E1038 PolarHBondContact O-N 2.69Å; E1038-S1040 PolarHBondContact O-N 2.99Å
1039P42.8Very low50.3Low122 Ų122117.6 Ų117.679%0.79267%0.668SS**  trans-72.1112.9-177.927.3-33.2000111.5S1041P1039-S1041 PolarHBondContact O-N 3.43Å; P1039-S1041 VanDerWaalsContact O-N 3.13Å
1040S44.7Very low47.9Very low120 Ų120117.6 Ų117.684%0.83968%0.682SS**  trans-63.2110.7174.658.30000111.5E1038E1038-S1040 PolarHBondContact O-N 2.99Å
1041S35.5Very low45.5Very low112 Ų112120.9 Ų120.978%0.78371%0.708SS**PPolyproline II helixtrans-76.6139.2171-62.90000111.2P1039P1039-S1041 PolarHBondContact O-N 3.43Å; P1039-S1041 VanDerWaalsContact O-N 3.13Å
1042P43.4Very low43.2Very low118 Ų118123.2 Ų123.277%0.76673%0.728SS**PPolyproline II helixtrans-76.3159.8-179.832.1-35.5000112.6
1043P43.4Very low41.2Very low134 Ų134123.4 Ų123.487%0.8774%0.739SS**PPolyproline II helixtrans-76.4136.6-174.431-34.8000112.5
1044A32.3Very low39.4Very low101 Ų101126.5 Ų126.584%0.83576%0.762SS**PPolyproline II helixtrans-101.4125.8168.900000110.4
1045E33.3Very low37.5Very low196 Ų196126 Ų12692%0.91678%0.775SS**PPolyproline II helixtrans-70.9157.7175.7-69.6-176129.600112.4
1046A34.3Very low35.9Very low100 Ų100123.9 Ų123.983%0.82678%0.779SS**PPolyproline II helixtrans-85.3127.1-177.100000112.9
1047T30.8Very low34.4Very low142 Ų142125.1 Ų125.187%0.87178%0.782SS**  trans-147.3122.3144.7-15.60000111.6
1048Q30.3Very low34.4Very low175 Ų175122.1 Ų122.182%0.81878%0.776SS**  trans-82158165.1-102.5-157.629.200109.7
1049P39.2Very low33.3Very low113 Ų113120.8 Ų120.873%0.73478%0.783SS**  -150.51646240.4-20.7000119
1050A27.3Very low32.8Very low89 Ų89119.7 Ų119.774%0.73678%0.778SS**  trans51.5140.6142.300000120.3
1051S28.3Very low32.2Very low97 Ų97119.8 Ų119.868%0.67877%0.774SS**  cis-164.9155.92048.10000112.9
1052T25.4Very low31.7Very low136 Ų136123.5 Ų123.583%0.83478%0.779SS**  trans58.3138.7150.449.80000119.6
1053A28.1Very low31Very low85 Ų85126.9 Ų126.970%0.70278%0.784SS**  cis-150.7138.9-0.600000107
1054A26.7Very low30.5Very low94 Ų94125 Ų12578%0.77778%0.78SS**  48.7126.67800000114.8
1055S25.9Very low30.3Very low101 Ų101126 Ų12671%0.70678%0.781SS**  cis174.7159.5-18.540.50000108.5
1056V27.6Very low29.8Very low114 Ų114120.6 Ų120.669%0.69178%0.779SS**  trans70.1101.4145.7160.20000116.1
1057E24.5Very low29.7Very low168 Ų168123.4 Ų123.479%0.78578%0.779SS**  96.6178.498.6-80.3-169.3-17500112.2
1058P51.2Low30.2Very low102 Ų102121.6 Ų121.666%0.66277%0.77SS**  -136-145.1-63.942.8-25.6000110.2
1059S24.6Very low30.1Very low117 Ų117122.3 Ų122.382%0.81877%0.771SS**  trans100.9156.9149.980.80000118
1060S31.5Very low29.8Very low99 Ų99122.9 Ų122.969%0.69277%0.772SS**  trans-129.6175.8-149.855.90000112.1
1061T31.5Very low30Very low123 Ų123123.4 Ų123.476%0.75577%0.77SS**  trans62.9120.8157.450.90000118.8
1062Q26.5Very low29.9Very low190 Ų190126.3 Ų126.389%0.88878%0.778SS**  -174.6178.5100.3-104.5-177.8-7.600113.5
1063E28.6Very low30.1Very low188 Ų188125 Ų12588%0.87978%0.781SS**  trans-100.5167.7-154.9-59.8174.6116.900116.8
1064A32.6Very low30Very low94 Ų94126.8 Ų126.878%0.77779%0.788SS**  trans-4.6142160.500000120.4
1065S27.3Very low30Very low122 Ų122125.8 Ų125.885%0.85379%0.787SS**  177.5163.472.850.60000113.5
1066G24.5Very low30.2Very low84 Ų84126 Ų12687%0.86679%0.789SS**  trans110.7119.2156.600000118.2
1067N31.6Very low30.3Very low158 Ų158129.1 Ų129.185%0.84580%0.796SS**  trans-97.9163.3173.1-130.8-17.3000109.6
1068P40.6Very low30.4Very low105 Ų105126.3 Ų126.368%0.68280%0.795SS**  -156.4161.757.641.1-20.2000119.8
1069K28.7Very low29.3Very low190 Ų190127.1 Ų127.183%0.82680%0.803SS**  trans56.6142.8153-67.2176-179.7-178.10118.3
1070T32.4Very low29.4Very low125 Ų125129.9 Ų129.977%0.76780%0.802SS**  cis-177.2156.6-1.223.60000105.4
1071S31.8Very low29.8Very low99 Ų99134 Ų13469%0.69281%0.811SS**  cis-168.7-177.8-1.343.70000109.7
1072D26.3Very low29.6Very low159 Ų159131.8 Ų131.885%0.8581%0.813SS**  trans70.6155.9170.5-71.1-20.5000120.9
1073A28.7Very low29.6Very low108 Ų108128 Ų12889%0.89381%0.814SS**  trans87.3150158.100000120.7
1074S26.9Very low30Very low122 Ų122123.8 Ų123.885%0.85381%0.811SS**  trans-126.7157.8-157.354.20000113.9
1075G27.7Very low30.1Very low73 Ų73128.6 Ų128.675%0.75382%0.817SS**  trans100.6163.3159.400000116.1
1076S28.2Very low30.2Very low106 Ų106131.7 Ų131.774%0.74182%0.819SS**  cis-171.6153.3-12.949.40000112
1077H30.3Very low31Very low180 Ų180133.3 Ų133.383%0.83381%0.813SS**  trans65.9129.7152.9-72.8-62000125.4
1078S27.8Very low31.4Very low109 Ų109133 Ų13376%0.76281%0.812SS**  100.6116.3126.2700000122.8
1079S26.7Very low31.8Very low119 Ų119132.2 Ų132.283%0.83281%0.807SS**  trans174.4131139.6210000106
1080Q28Very low33.5Very low174 Ų174128.8 Ų128.881%0.81380%0.797SS**  cis94.5100.336.8-152.7173.39.700113.4
1081E38.8Very low35.7Very low186 Ų186124.5 Ų124.587%0.86977%0.767SS**  trans43.1127.8157.3-63.3177145.400122.2
1082G26.6Very low38.2Very low77 Ų77121.4 Ų121.479%0.79475%0.746SS**  trans-176.6115.316600000116.2
1083A28.5Very low41.1Very low110 Ų110113.9 Ų113.991%0.90971%0.706SS**  trans53.5123.1156.900000121.3
1084A35.3Very low43.9Very low99 Ų99109.8 Ų109.882%0.81867%0.67SS**PPolyproline II helixtrans-98.6142.1162.900000110.8
1085E34.3Very low46.7Very low195 Ų195104 Ų10491%0.91163%0.63SS**PPolyproline II helixtrans-76.8138.9173-64.8178.5141.200110.8
1086Q30.9Very low49.5Very low188 Ų188103.8 Ų103.888%0.87961%0.609SS**PPolyproline II helixtrans-90.2140.9172.2-73-168.9-18.100110.9
1087P40.1Very low52.3Low117 Ų117101.3 Ų101.376%0.7659%0.586SS**PPolyproline II helixtrans-76.6148.7170.332.2-33.7000111.7
1088D41.8Very low55Low151 Ų15192.8 Ų92.881%0.80755%0.546SS*.PPolyproline II helixtrans-57.7144.7170.4-106.4-39.9000111.4D1090D1088-D1090 PolarHBondContact O-N 3.33Å
1089P48.8Very low57.8Low90 Ų9088.3 Ų88.358%0.58451%0.514SS*.  trans-77.4106.8178.630.2-32.7000111.6W1091P1089-W1091 PolarHBondContact O-N 3.18Å
1090D64.4Low60.6Low117 Ų11785.1 Ų85.163%0.62650%0.495SS*.  trans-53.1126.7169.2-93.1-10.4000111.1D1088D1088-D1090 PolarHBondContact O-N 3.33Å
1091W78.9Confident63.4Low35 Ų3577 Ų7713%0.13346%0.458CS..  trans-75.2154.9178.249.9-96.5000112.4Q992 F995 L1027 E1030 P1089 F1093Q992-W1091 HydrophobicContact CB-CD2 4.03Å; Q992-W1091 HydrophobicContact CB-CE3 4.19Å; Q992-W1091 HydrophobicContact CB-CH2 3.9Å; Q992-W1091 HydrophobicContact CB-CZ2 3.74Å; Q992-W1091 HydrophobicContact CB-CZ3 4.12Å; Q992-W1091 HydrophobicContact CG-CH2 3.83Å; Q992-W1091 HydrophobicContact CG-CZ2 3.39Å; Q992-W1091 PolarHBondContact N-O 2.89Å; Q992-W1091 VanDerWaalsContact N-O 3.1Å; F995-W1091 HydrophobicContact CB-CH2 4.19Å; F995-W1091 HydrophobicContact CB-CZ3 3.77Å; F995-W1091 AromaticContact CD1-CH2 3.61Å; F995-W1091 HydrophobicContact CD1-CH2 3.61Å; F995-W1091 AromaticContact CD1-CZ3 3.62Å; F995-W1091 HydrophobicContact CD1-CZ3 3.62Å; F995-W1091 HydrophobicContact CE1-CH2 4.42Å; F995-W1091 HydrophobicContact CE1-CZ3 4.46Å; F995-W1091 HydrophobicContact CG-CH2 4.26Å; F995-W1091 AromaticContact CG-CZ3 3.89Å; F995-W1091 HydrophobicContact CG-CZ3 3.89Å; L1027-W1091 HydrophobicContact CD2-CD2 4.33Å; L1027-W1091 HydrophobicContact CD2-CH2 4.11Å; L1027-W1091 HydrophobicContact CD2-CZ2 3.8Å; L1027-W1091 HydrophobicContact CD2-CZ3 4.48Å; E1030-W1091 HydrophobicContact CG-CB 3.7Å; E1030-W1091 HydrophobicContact CG-CG 4.41Å; E1030-W1091 WeakPolarHBondContact OE1-CB 3.15Å; P1089-W1091 PolarHBondContact O-N 3.18Å; W1091-F1093 AromaticContact CE3-CD2 3.93Å; W1091-F1093 HydrophobicContact CE3-CD2 3.93Å; W1091-F1093 AromaticContact CE3-CE2 3.41Å; W1091-F1093 HydrophobicContact CE3-CE2 3.41Å; W1091-F1093 VanDerWaalsContact CE3-CE2 3.41Å; W1091-F1093 AromaticContact CE3-CZ 3.96Å; W1091-F1093 HydrophobicContact CE3-CZ 3.96Å; W1091-F1093 HydrophobicContact CH2-CE2 4.24Å; W1091-F1093 AromaticContact CZ3-CD2 3.76Å; W1091-F1093 HydrophobicContact CZ3-CD2 3.76Å; W1091-F1093 AromaticContact CZ3-CE2 3.25Å; W1091-F1093 HydrophobicContact CZ3-CE2 3.25Å; W1091-F1093 HydrophobicContact CZ3-CZ 4.17Å
1092S83.9Confident65.8Low35 Ų3568.3 Ų68.325%0.24542%0.417CS..EExtended strand (participates in β ladder)trans-145.2148.3-179.260.30000113.3R989 I990R989-S1092 PolarHBondContact NH2-O 3.33Å; I990-S1092 CarbonylContact O-C 3.58Å; I990-S1092 WeakPolarHBondContact O-CA 3.23Å; I990-S1092 VanDerWaalsContact O-CB 3.3Å; I990-S1092 WeakPolarHBondContact O-CB 3.45Å
1093F86.5Confident68.6Low1 Ų168.7 Ų68.70%0.00440%0.4CS..EExtended strand (participates in β ladder)trans-116135.3-179.4-64.2-62000111.5R989 I990 F995 L1026 L1027 E1030 W1091 V1098R989-F1093 CarbonylContact C-O 3.56Å; R989-F1093 VanDerWaalsContact CA-O 3.24Å; R989-F1093 WeakPolarHBondContact CA-O 3.29Å; R989-F1093 WeakPolarHBondContact CB-O 3.45Å; I990-F1093 HydrophobicContact CG1-CB 4.19Å; I990-F1093 PolarHBondContact N-O 3.37Å; I990-F1093 PolarHBondContact O-N 2.94Å; F995-F1093 HydrophobicContact CB-CD2 4.24Å; F995-F1093 HydrophobicContact CD1-CD2 4.12Å; F995-F1093 AromaticContact CD1-CE2 3.85Å; F995-F1093 HydrophobicContact CD1-CE2 3.85Å; F995-F1093 AromaticContact CD2-CD2 3.54Å; F995-F1093 HydrophobicContact CD2-CD2 3.54Å; F995-F1093 HydrophobicContact CD2-CE2 4.04Å; F995-F1093 HydrophobicContact CE1-CD2 4.34Å; F995-F1093 AromaticContact CE1-CE2 3.84Å; F995-F1093 HydrophobicContact CE1-CE2 3.84Å; F995-F1093 AromaticContact CE2-CD2 3.82Å; F995-F1093 HydrophobicContact CE2-CD2 3.82Å; F995-F1093 HydrophobicContact CE2-CE2 4.07Å; F995-F1093 AromaticContact CG-CD2 3.69Å; F995-F1093 HydrophobicContact CG-CD2 3.69Å; F995-F1093 AromaticContact CG-CE2 3.92Å; F995-F1093 HydrophobicContact CG-CE2 3.92Å; F995-F1093 HydrophobicContact CZ-CD2 4.19Å; F995-F1093 AromaticContact CZ-CE2 3.95Å; F995-F1093 HydrophobicContact CZ-CE2 3.95Å; L1026-F1093 HydrophobicContact CB-CD1 4.46Å; L1026-F1093 HydrophobicContact CB-CE1 3.81Å; L1026-F1093 HydrophobicContact CB-CE2 4.24Å; L1026-F1093 HydrophobicContact CB-CZ 3.7Å; L1026-F1093 HydrophobicContact CD2-CD1 4.02Å; L1026-F1093 HydrophobicContact CD2-CE1 4.11Å; L1026-F1093 WeakPolarHBondContact O-CE1 3.17Å; L1027-F1093 HydrophobicContact CD2-CZ 4.32Å; E1030-F1093 HydrophobicContact CB-CE1 3.89Å; E1030-F1093 HydrophobicContact CB-CZ 4.21Å; E1030-F1093 HydrophobicContact CG-CE1 4.27Å; W1091-F1093 AromaticContact CE3-CD2 3.93Å; W1091-F1093 HydrophobicContact CE3-CD2 3.93Å; W1091-F1093 AromaticContact CE3-CE2 3.41Å; W1091-F1093 HydrophobicContact CE3-CE2 3.41Å; W1091-F1093 VanDerWaalsContact CE3-CE2 3.41Å; W1091-F1093 AromaticContact CE3-CZ 3.96Å; W1091-F1093 HydrophobicContact CE3-CZ 3.96Å; W1091-F1093 HydrophobicContact CH2-CE2 4.24Å; W1091-F1093 AromaticContact CZ3-CD2 3.76Å; W1091-F1093 HydrophobicContact CZ3-CD2 3.76Å; W1091-F1093 AromaticContact CZ3-CE2 3.25Å; W1091-F1093 HydrophobicContact CZ3-CE2 3.25Å; W1091-F1093 HydrophobicContact CZ3-CZ 4.17Å; F1093-V1098 HydrophobicContact CB-CG2 3.92Å
1094S87Confident71.4Confident21 Ų2169 Ų6915%0.14739%0.387CS..  trans-79.5161.3167.9860000111E1096 Q1097 V1098S1094-E1096 VanDerWaalsContact C-N 3.27Å; S1094-E1096 WeakPolarHBondContact CB-OE2 3.46Å; S1094-E1096 PolarHBondContact O-N 3.37Å; S1094-E1096 PolarHBondContact OG-N 3.21Å; S1094-E1096 PolarHBondContact OG-OE2 3.07Å; S1094-Q1097 PolarHBondContact O-N 2.98Å; S1094-Q1097 PolarHBondContact OG-N 2.84Å; S1094-V1098 PolarHBondContact O-N 2.9Å
1095F86.6Confident74Confident0 Ų065.9 Ų65.90%036%0.355CS..Hα-helixtrans-61.8-35.4177.9178-118.2000111.9T899 L902 K903 F906 I984 L987 Q1097 V1098 L1099T899-F1095 HydrophobicContact CG2-CE1 4.35Å; T899-F1095 HydrophobicContact CG2-CZ 4.33Å; L902-F1095 HydrophobicContact CB-CE2 4.21Å; L902-F1095 HydrophobicContact CB-CZ 4.44Å; L902-F1095 HydrophobicContact CD2-CE2 4Å; L902-F1095 HydrophobicContact CD2-CZ 4.47Å; L902-F1095 HydrophobicContact CG-CE2 3.93Å; K903-F1095 HydrophobicContact CB-CE1 4.05Å; K903-F1095 HydrophobicContact CB-CE2 4.14Å; K903-F1095 HydrophobicContact CB-CZ 3.63Å; K903-F1095 HydrophobicContact CG-CE1 4.4Å; K903-F1095 HydrophobicContact CG-CZ 4.4Å; F906-F1095 HydrophobicContact CB-CD2 3.91Å; F906-F1095 HydrophobicContact CB-CE2 4.22Å; F906-F1095 HydrophobicContact CD1-CB 4.3Å; F906-F1095 HydrophobicContact CD1-CD2 4.22Å; F906-F1095 HydrophobicContact CD2-CB 4.4Å; F906-F1095 AromaticContact CD2-CD2 3.8Å; F906-F1095 HydrophobicContact CD2-CD2 3.8Å; F906-F1095 HydrophobicContact CE1-CB 4.01Å; F906-F1095 HydrophobicContact CE2-CB 4.09Å; F906-F1095 HydrophobicContact CE2-CD2 4.31Å; F906-F1095 HydrophobicContact CG-CB 4.48Å; F906-F1095 AromaticContact CG-CD2 3.73Å; F906-F1095 HydrophobicContact CG-CD2 3.73Å; F906-F1095 HydrophobicContact CG-CG 4.48Å; F906-F1095 HydrophobicContact CZ-CB 3.9Å; I984-F1095 HydrophobicContact CG1-CD1 4.43Å; I984-F1095 HydrophobicContact CG1-CE1 4.22Å; I984-F1095 HydrophobicContact CG2-CD1 4.01Å; I984-F1095 HydrophobicContact CG2-CE1 4.48Å; L987-F1095 HydrophobicContact CB-CB 4.36Å; L987-F1095 HydrophobicContact CD1-CB 3.68Å; L987-F1095 HydrophobicContact CD1-CD1 3.49Å; L987-F1095 VanDerWaalsContact CD1-CD1 3.49Å; L987-F1095 HydrophobicContact CD1-CD2 4.42Å; L987-F1095 HydrophobicContact CD1-CE1 4.28Å; L987-F1095 HydrophobicContact CD1-CG 3.6Å; F1095-Q1097 PolarHBondContact O-N 3.06Å; F1095-V1098 PolarHBondContact O-N 2.84Å; F1095-L1099 HydrophobicContact CE1-CD2 4.03Å; F1095-L1099 HydrophobicContact CE2-CB 4.45Å; F1095-L1099 HydrophobicContact CZ-CB 4.31Å; F1095-L1099 HydrophobicContact CZ-CD1 4.29Å; F1095-L1099 HydrophobicContact CZ-CD2 4.28Å; F1095-L1099 WeakPolarHBondContact O-CB 3.48Å; F1095-L1099 PolarHBondContact O-N 3.25Å
1096E86.4Confident76.5Confident70 Ų7061.7 Ų61.733%0.32735%0.345SS..Hα-helixtrans-60.9-41.2175.2-57.787.9162.500112.7I984 S1094 A1100I984-E1096 HydrophobicContact CG2-CG 3.56Å; S1094-E1096 VanDerWaalsContact C-N 3.27Å; S1094-E1096 WeakPolarHBondContact CB-OE2 3.46Å; S1094-E1096 PolarHBondContact O-N 3.37Å; S1094-E1096 PolarHBondContact OG-N 3.21Å; S1094-E1096 PolarHBondContact OG-OE2 3.07Å; E1096-A1100 WeakPolarHBondContact O-CB 3.45Å; E1096-A1100 PolarHBondContact O-N 3.47Å
1097Q86.2Confident79.1Confident53 Ų5354 Ų5425%0.24831%0.314CS..Hα-helixtrans-64-45.6179.5-64.4178.4-65.900110.5L1026 S1094 F1095 S1101L1026-Q1097 HydrophobicContact CD2-CB 4.09Å; S1094-Q1097 PolarHBondContact O-N 2.98Å; S1094-Q1097 PolarHBondContact OG-N 2.84Å; F1095-Q1097 PolarHBondContact O-N 3.06Å; Q1097-S1101 WeakPolarHBondContact O-CB 3.42Å; Q1097-S1101 PolarHBondContact O-N 2.8Å; Q1097-S1101 VanDerWaalsContact O-N 3.14Å; Q1097-S1101 PolarHBondContact O-OG 3.1Å
1098V87.2Confident81.4Confident1 Ų148.5 Ų48.51%0.00628%0.278CS..Hα-helixtrans-66.7-46178.3177.20000111.2F906 I990 F995 F998 L1026 F1093 S1094 F1095 S1101 L1102F906-V1098 HydrophobicContact CE2-CG2 4.26Å; I990-V1098 HydrophobicContact CD1-CG2 4.33Å; F995-V1098 HydrophobicContact CE2-CG2 4.4Å; F998-V1098 HydrophobicContact CE1-CG1 3.81Å; F998-V1098 HydrophobicContact CZ-CG1 3.9Å; L1026-V1098 HydrophobicContact CD1-CG2 4.37Å; F1093-V1098 HydrophobicContact CB-CG2 3.92Å; S1094-V1098 PolarHBondContact O-N 2.9Å; F1095-V1098 PolarHBondContact O-N 2.84Å; V1098-S1101 PolarHBondContact O-N 3.4Å; V1098-L1102 HydrophobicContact CG1-CD1 3.69Å; V1098-L1102 WeakPolarHBondContact O-CG 3.42Å; V1098-L1102 PolarHBondContact O-N 3.28Å
1099L86.9Confident83.5Confident16 Ų1642.3 Ų42.38%0.08425%0.245CC..Hα-helixtrans-60.2-51.9177.9177.767.4000111.8F898 T899 L902 I984 F1095 S1101 L1102 L1103F898-L1099 HydrophobicContact CD1-CD1 4.08Å; F898-L1099 HydrophobicContact CE1-CD1 3.82Å; T899-L1099 HydrophobicContact CG2-CD1 4.01Å; T899-L1099 HydrophobicContact CG2-CD2 3.91Å; L902-L1099 HydrophobicContact CD2-CB 4.08Å; L902-L1099 HydrophobicContact CD2-CD1 3.68Å; I984-L1099 HydrophobicContact CD1-CD2 4.27Å; F1095-L1099 HydrophobicContact CE1-CD2 4.03Å; F1095-L1099 HydrophobicContact CE2-CB 4.45Å; F1095-L1099 HydrophobicContact CZ-CB 4.31Å; F1095-L1099 HydrophobicContact CZ-CD1 4.29Å; F1095-L1099 HydrophobicContact CZ-CD2 4.28Å; F1095-L1099 WeakPolarHBondContact O-CB 3.48Å; F1095-L1099 PolarHBondContact O-N 3.25Å; L1099-S1101 VanDerWaalsContact C-N 3.27Å; L1099-S1101 PolarHBondContact O-N 3.42Å; L1099-L1102 PolarHBondContact O-N 3.47Å; L1099-L1103 HydrophobicContact CD1-CD1 4.07Å; L1099-L1103 HydrophobicContact CD1-CG 4.19Å; L1099-L1103 HydrophobicContact CG-CD1 3.93Å; L1099-L1103 HydrophobicContact CG-CG 4.44Å; L1099-L1103 WeakPolarHBondContact O-CB 3.5Å; L1099-L1103 VanDerWaalsContact O-CG 3.27Å; L1099-L1103 WeakPolarHBondContact O-CG 3.48Å; L1099-L1103 PolarHBondContact O-N 3.42Å
1100A85.3Confident85.3Confident52 Ų5239.8 Ų39.843%0.4324%0.236SC..Hα-helixtrans-63.6-33-179.600000112.5E1096 N1104E1096-A1100 WeakPolarHBondContact O-CB 3.45Å; E1096-A1100 PolarHBondContact O-N 3.47Å; A1100-N1104 PolarHBondContact O-ND2 3.42Å
1101S87.9Confident86.4Confident4 Ų435.3 Ų35.33%0.02821%0.211CC..Hα-helixtrans-73.2-44.1177.5-55.40000111.9V1022 L1026 Q1097 V1098 L1099 N1104V1022-S1101 WeakPolarHBondContact CG2-O 3.43Å; L1026-S1101 VanDerWaalsContact CD2-OG 3.3Å; L1026-S1101 WeakPolarHBondContact CD2-OG 3.42Å; Q1097-S1101 WeakPolarHBondContact O-CB 3.42Å; Q1097-S1101 PolarHBondContact O-N 2.8Å; Q1097-S1101 VanDerWaalsContact O-N 3.14Å; Q1097-S1101 PolarHBondContact O-OG 3.1Å; V1098-S1101 PolarHBondContact O-N 3.4Å; L1099-S1101 VanDerWaalsContact C-N 3.27Å; L1099-S1101 PolarHBondContact O-N 3.42Å; S1101-N1104 PolarHBondContact O-N 2.88Å
1102L87.9Confident86.7Confident3 Ų333.7 Ų33.72%0.01620%0.204CC..Hα-helixtrans-74.1-28.7179.6-66.7165.9000113.2F898 L902 F998 V1022 V1098 L1099 N1104 E1105 I1108F898-L1102 HydrophobicContact CZ-CB 3.86Å; L902-L1102 HydrophobicContact CD1-CD1 3.48Å; L902-L1102 VanDerWaalsContact CD1-CD1 3.48Å; L902-L1102 HydrophobicContact CD2-CD1 3.86Å; L902-L1102 HydrophobicContact CG-CD1 4.29Å; F998-L1102 HydrophobicContact CE1-CD1 4.39Å; F998-L1102 HydrophobicContact CZ-CD1 4.29Å; V1022-L1102 HydrophobicContact CB-CD2 4.07Å; V1022-L1102 HydrophobicContact CG1-CD2 3.64Å; V1022-L1102 HydrophobicContact CG1-CG 3.9Å; V1022-L1102 HydrophobicContact CG2-CD2 4.06Å; V1098-L1102 HydrophobicContact CG1-CD1 3.69Å; V1098-L1102 WeakPolarHBondContact O-CG 3.42Å; V1098-L1102 PolarHBondContact O-N 3.28Å; L1099-L1102 PolarHBondContact O-N 3.47Å; L1102-N1104 PolarHBondContact O-N 3.2Å; L1102-E1105 PolarHBondContact O-N 3.27Å; L1102-E1105 VanDerWaalsContact O-N 3.1Å; L1102-I1108 HydrophobicContact CD2-CD1 3.61Å; L1102-I1108 HydrophobicContact CD2-CG2 4.26Å
1103L86.4Confident86.8Confident84 Ų8436.4 Ų36.444%0.4421%0.214SC..THydrogen-bonded Turntrans-61.2-22.9173.1-82.4172000113.3F898 L1099 E1105 V1109F898-L1103 HydrophobicContact CD1-CD2 3.49Å; F898-L1103 VanDerWaalsContact CD1-CD2 3.49Å; F898-L1103 HydrophobicContact CD1-CG 4.11Å; F898-L1103 HydrophobicContact CE1-CD2 3.66Å; F898-L1103 HydrophobicContact CE1-CG 3.81Å; F898-L1103 HydrophobicContact CG-CD2 4.45Å; L1099-L1103 HydrophobicContact CD1-CD1 4.07Å; L1099-L1103 HydrophobicContact CD1-CG 4.19Å; L1099-L1103 HydrophobicContact CG-CD1 3.93Å; L1099-L1103 HydrophobicContact CG-CG 4.44Å; L1099-L1103 WeakPolarHBondContact O-CB 3.5Å; L1099-L1103 VanDerWaalsContact O-CG 3.27Å; L1099-L1103 WeakPolarHBondContact O-CG 3.48Å; L1099-L1103 PolarHBondContact O-N 3.42Å; L1103-E1105 VanDerWaalsContact C-N 3.28Å; L1103-E1105 PolarHBondContact O-N 2.93Å; L1103-V1109 HydrophobicContact CD2-CG2 4.46Å
1104N85.8Confident86.7Confident118 Ų11840.8 Ų40.863%0.63123%0.23SC*.THydrogen-bonded Turntrans-82.6-0.5177.1-67.9-36.9000113.5A1100 S1101 L1102 P1106A1100-N1104 PolarHBondContact O-ND2 3.42Å; S1101-N1104 PolarHBondContact O-N 2.88Å; L1102-N1104 PolarHBondContact O-N 3.2Å; N1104-P1106 WeakPolarHBondContact O-CD 3.33Å
1105E90.8Very high86.2Confident33 Ų3346.2 Ų46.215%0.15425%0.253CS..  trans-109.998.1179.2-72.7-59.3148.100111.8A1018 H1021 V1022 L1102 L1103 A1107 I1108 V1109A1018-E1105 HydrophobicContact CB-CB 4.08Å; A1018-E1105 HydrophobicContact CB-CG 3.94Å; A1018-E1105 WeakPolarHBondContact CB-OE2 3.3Å; H1021-E1105 IonicContact CE1-OE1 3.41Å; H1021-E1105 IonicContact CG-OE1 3.3Å; H1021-E1105 IonicContact ND1-OE1 2.69Å; H1021-E1105 PolarHBondContact ND1-OE1 2.87Å; V1022-E1105 HydrophobicContact CG2-CG 3.44Å; V1022-E1105 VanDerWaalsContact CG2-CG 3.44Å; L1102-E1105 PolarHBondContact O-N 3.27Å; L1102-E1105 VanDerWaalsContact O-N 3.1Å; L1103-E1105 VanDerWaalsContact C-N 3.28Å; L1103-E1105 PolarHBondContact O-N 2.93Å; E1105-A1107 PolarHBondContact O-N 3.19Å; E1105-A1107 VanDerWaalsContact O-N 3.14Å; E1105-I1108 HydrophobicContact CB-CB 4.16Å; E1105-I1108 HydrophobicContact CB-CD1 4.07Å; E1105-I1108 HydrophobicContact CB-CG1 4.17Å; E1105-I1108 HydrophobicContact CG-CD1 4.37Å; E1105-I1108 PolarHBondContact O-N 2.93Å; E1105-V1109 PolarHBondContact O-N 2.91Å; E1105-V1109 VanDerWaalsContact O-N 3.11Å
1106P86.7Confident85.9Confident106 Ų10649.2 Ų49.269%0.68827%0.271SS*.Hα-helixtrans-58.6-31-175.8-26.335.2000114.3N1104 G1110N1104-P1106 WeakPolarHBondContact O-CD 3.33Å; P1106-G1110 PolarHBondContact O-N 2.86Å
1107A86.1Confident85.5Confident28 Ų2852.8 Ų52.823%0.23129%0.287CS..Hα-helixtrans-64.4-44.3176.900000111.7L1015 E1105 F1111L1015-A1107 HydrophobicContact CD2-CB 4.19Å; L1015-A1107 VanDerWaalsContact CD2-O 3.31Å; L1015-A1107 WeakPolarHBondContact CD2-O 3.3Å; E1105-A1107 PolarHBondContact O-N 3.19Å; E1105-A1107 VanDerWaalsContact O-N 3.14Å; A1107-F1111 PolarHBondContact O-N 3.26Å
1108I87.4Confident85.6Confident0 Ų050.7 Ų50.70%028%0.278CS..Hα-helixtrans-70.2-43.9-179.6-64.9178.5000110.2F898 F1006 L1015 A1018 V1019 L1102 E1105 F1111 F1112F898-I1108 HydrophobicContact CE2-CG2 4.11Å; F1006-I1108 HydrophobicContact CZ-CG2 4.37Å; L1015-I1108 HydrophobicContact CD2-CG1 4.22Å; A1018-I1108 HydrophobicContact CB-CD1 3.63Å; A1018-I1108 HydrophobicContact CB-CG1 3.72Å; V1019-I1108 HydrophobicContact CG2-CD1 3.92Å; L1102-I1108 HydrophobicContact CD2-CD1 3.61Å; L1102-I1108 HydrophobicContact CD2-CG2 4.26Å; E1105-I1108 HydrophobicContact CB-CB 4.16Å; E1105-I1108 HydrophobicContact CB-CD1 4.07Å; E1105-I1108 HydrophobicContact CB-CG1 4.17Å; E1105-I1108 HydrophobicContact CG-CD1 4.37Å; E1105-I1108 PolarHBondContact O-N 2.93Å; I1108-F1111 PolarHBondContact O-N 3.03Å; I1108-F1112 HydrophobicContact CG2-CD2 3.9Å; I1108-F1112 HydrophobicContact CG2-CE2 3.93Å; I1108-F1112 VanDerWaalsContact O-CD2 3.31Å; I1108-F1112 WeakPolarHBondContact O-CD2 3.15Å; I1108-F1112 PolarHBondContact O-N 2.99Å
1109V86.8Confident85.6Confident22 Ų2254.6 Ų54.613%0.13330%0.296CS..Hα-helixtrans-59.5-49.6175.11780000110.3F898 L1103 E1105 F1111 F1112 E1113F898-V1109 HydrophobicContact CD2-CB 4.45Å; F898-V1109 HydrophobicContact CD2-CG2 4.25Å; F898-V1109 HydrophobicContact CE2-CG2 4.13Å; F898-V1109 HydrophobicContact CZ-CG2 4.29Å; L1103-V1109 HydrophobicContact CD2-CG2 4.46Å; E1105-V1109 PolarHBondContact O-N 2.91Å; E1105-V1109 VanDerWaalsContact O-N 3.11Å; V1109-F1111 VanDerWaalsContact C-N 3.33Å; V1109-F1111 PolarHBondContact O-N 3.16Å; V1109-F1112 PolarHBondContact O-N 3.31Å; V1109-F1112 VanDerWaalsContact O-N 3.12Å; V1109-E1113 HydrophobicContact CG1-CG 4.08Å; V1109-E1113 WeakPolarHBondContact O-CB 3.3Å; V1109-E1113 WeakPolarHBondContact O-CG 3.46Å; V1109-E1113 PolarHBondContact O-N 3.4Å
1110G85.7Confident85.4Confident37 Ų3758.1 Ų58.138%0.38132%0.318SS..Hα-helixtrans-59.6-36.2179.200000114.4P1106 R1114P1106-G1110 PolarHBondContact O-N 2.86Å; G1110-R1114 WeakPolarHBondContact O-CB 3.26Å; G1110-R1114 PolarHBondContact O-N 3.24Å
1111F87.6Confident85.5Confident22 Ų2257.1 Ų57.110%0.09630%0.304CS..Hα-helixtrans-63.8-46.9172.9175.5-85.9000112.1I1005 F1006 D1009 L1015 A1107 I1108 V1109 R1114I1005-F1111 HydrophobicContact CG2-CE1 3.74Å; I1005-F1111 HydrophobicContact CG2-CZ 3.77Å; F1006-F1111 AromaticContact CD1-CD1 3.82Å; F1006-F1111 HydrophobicContact CD1-CD1 3.82Å; F1006-F1111 HydrophobicContact CD1-CD2 4.08Å; F1006-F1111 AromaticContact CD1-CE1 3.66Å; F1006-F1111 HydrophobicContact CD1-CE1 3.66Å; F1006-F1111 AromaticContact CD1-CE2 3.92Å; F1006-F1111 HydrophobicContact CD1-CE2 3.92Å; F1006-F1111 HydrophobicContact CD1-CG 4.03Å; F1006-F1111 AromaticContact CD1-CZ 3.7Å; F1006-F1111 HydrophobicContact CD1-CZ 3.7Å; F1006-F1111 AromaticContact CE1-CD1 3.42Å; F1006-F1111 HydrophobicContact CE1-CD1 3.42Å; F1006-F1111 VanDerWaalsContact CE1-CD1 3.42Å; F1006-F1111 HydrophobicContact CE1-CD2 4.42Å; F1006-F1111 AromaticContact CE1-CE1 3.53Å; F1006-F1111 HydrophobicContact CE1-CE1 3.53Å; F1006-F1111 AromaticContact CE1-CG 3.9Å; F1006-F1111 HydrophobicContact CE1-CG 3.9Å; F1006-F1111 HydrophobicContact CE1-CZ 4.09Å; D1009-F1111 HydrophobicContact CB-CE2 4.32Å; D1009-F1111 WeakPolarHBondContact OD2-CE2 3.4Å; L1015-F1111 HydrophobicContact CD1-CB 4.38Å; L1015-F1111 HydrophobicContact CD1-CD2 3.75Å; L1015-F1111 HydrophobicContact CD1-CE2 4.41Å; L1015-F1111 HydrophobicContact CD1-CG 4.27Å; L1015-F1111 HydrophobicContact CD2-CB 3.83Å; L1015-F1111 HydrophobicContact CD2-CG 4.41Å; A1107-F1111 PolarHBondContact O-N 3.26Å; I1108-F1111 PolarHBondContact O-N 3.03Å; V1109-F1111 VanDerWaalsContact C-N 3.33Å; V1109-F1111 PolarHBondContact O-N 3.16Å; F1111-R1114 VanDerWaalsContact O-CB 3.26Å; F1111-R1114 WeakPolarHBondContact O-CB 3.33Å; F1111-R1114 PolarHBondContact O-N 3.08Å
1112F85.8Confident85.5Confident1 Ų156.9 Ų56.90%0.00430%0.303CS..Hα-helixtrans-75.9-29.1-176.4-82.1-66.5000113.6W856 F898 K901 L905 L1002 F1006 I1108 V1109 R1114W856-F1112 HydrophobicContact CZ2-CD1 4.36Å; W856-F1112 AromaticContact CZ2-CE1 3.82Å; W856-F1112 HydrophobicContact CZ2-CE1 3.82Å; F898-F1112 HydrophobicContact CD2-CB 3.72Å; F898-F1112 HydrophobicContact CD2-CD2 4.12Å; F898-F1112 HydrophobicContact CD2-CG 4.22Å; F898-F1112 HydrophobicContact CE2-CB 4.24Å; F898-F1112 AromaticContact CE2-CD2 3.75Å; F898-F1112 HydrophobicContact CE2-CD2 3.75Å; F898-F1112 HydrophobicContact CE2-CG 4.31Å; K901-F1112 HydrophobicContact CB-CD1 4.01Å; K901-F1112 HydrophobicContact CB-CE1 4.49Å; K901-F1112 HydrophobicContact CD-CB 4.37Å; K901-F1112 HydrophobicContact CD-CD1 3.86Å; K901-F1112 WeakPolarHBondContact CD-O 3.46Å; K901-F1112 WeakPolarHBondContact CE-O 3.19Å; K901-F1112 PolarHBondContact NZ-O 2.73Å; L905-F1112 HydrophobicContact CD1-CE1 3.58Å; L905-F1112 HydrophobicContact CD1-CZ 3.42Å; L905-F1112 VanDerWaalsContact CD1-CZ 3.42Å; L1002-F1112 HydrophobicContact CD2-CE2 4.18Å; L1002-F1112 HydrophobicContact CD2-CZ 3.93Å; F1006-F1112 HydrophobicContact CE1-CE2 4.01Å; F1006-F1112 HydrophobicContact CE1-CZ 4.15Å; F1006-F1112 AromaticContact CZ-CE2 3.92Å; F1006-F1112 HydrophobicContact CZ-CE2 3.92Å; F1006-F1112 HydrophobicContact CZ-CZ 4.33Å; I1108-F1112 HydrophobicContact CG2-CD2 3.9Å; I1108-F1112 HydrophobicContact CG2-CE2 3.93Å; I1108-F1112 VanDerWaalsContact O-CD2 3.31Å; I1108-F1112 WeakPolarHBondContact O-CD2 3.15Å; I1108-F1112 PolarHBondContact O-N 2.99Å; V1109-F1112 PolarHBondContact O-N 3.31Å; V1109-F1112 VanDerWaalsContact O-N 3.12Å; F1112-R1114 VanDerWaalsContact C-N 3.33Å
1113E86.4Confident85.3Confident93 Ų9358.7 Ų58.744%0.43532%0.322SS..Hα-helixtrans-83-8.6174.9-63.7-170.6156.600113.1F898 V1109 H1115F898-E1113 HydrophobicContact CB-CG 4.21Å; V1109-E1113 HydrophobicContact CG1-CG 4.08Å; V1109-E1113 WeakPolarHBondContact O-CB 3.3Å; V1109-E1113 WeakPolarHBondContact O-CG 3.46Å; V1109-E1113 PolarHBondContact O-N 3.4Å; E1113-H1115 PolarHBondContact O-N 3.12Å
1114R84Confident85.2Confident93 Ų9359.9 Ų59.935%0.35133%0.325SS..  trans-57.5119.9177.8-159.6-175.6-72.2167.4-2.3110.8D1009 E1011 G1110 F1111 F1112 V1116D1009-R1114 IonicContact OD1-CZ 3.67Å; D1009-R1114 IonicContact OD1-NH1 3.26Å; D1009-R1114 IonicContact OD1-NH2 3.09Å; D1009-R1114 PolarHBondContact OD1-NH2 2.9Å; D1009-R1114 IonicContact OD2-CZ 3.37Å; D1009-R1114 IonicContact OD2-NH1 2.81Å; D1009-R1114 PolarHBondContact OD2-NH1 3.44Å; D1009-R1114 IonicContact OD2-NH2 3.3Å; D1009-R1114 PolarHBondContact OD2-NH2 3.5Å; E1011-R1114 IonicContact OE2-NH2 3.04Å; E1011-R1114 PolarHBondContact OE2-NH2 2.96Å; G1110-R1114 WeakPolarHBondContact O-CB 3.26Å; G1110-R1114 PolarHBondContact O-N 3.24Å; F1111-R1114 VanDerWaalsContact O-CB 3.26Å; F1111-R1114 WeakPolarHBondContact O-CB 3.33Å; F1111-R1114 PolarHBondContact O-N 3.08Å; F1112-R1114 VanDerWaalsContact C-N 3.33Å; R1114-V1116 PolarHBondContact O-N 3.39Å
1115H76.2Confident85.1Confident134 Ų13454.3 Ų54.362%0.6230%0.295SS*.  trans-67.9124.7177.3-85-81.5000111.9V896 E1113V896-H1115 WeakPolarHBondContact CG2-CE1 3.49Å; E1113-H1115 PolarHBondContact O-N 3.12Å
1116V79.5Confident84.6Confident63 Ų6360.1 Ų60.138%0.38232%0.316SS..  trans-115.6124.3171.1-173.40000108.4P855 Y894 R1114 I1118P855-V1116 HydrophobicContact CB-CB 4.34Å; P855-V1116 HydrophobicContact CB-CG1 4.24Å; P855-V1116 HydrophobicContact CB-CG2 4.22Å; Y894-V1116 HydrophobicContact CD1-CB 4.3Å; Y894-V1116 VanDerWaalsContact CD1-O 3.32Å; Y894-V1116 WeakPolarHBondContact CD1-O 3.34Å; Y894-V1116 HydrophobicContact CE1-CB 4.05Å; Y894-V1116 HydrophobicContact CE1-CG1 3.86Å; R1114-V1116 PolarHBondContact O-N 3.39Å; V1116-I1118 PolarHBondContact O-N 3.03Å
1117H79.9Confident84Confident146 Ų14659.7 Ų59.768%0.67631%0.311SS*.  trans-83113.4177.8-73.8-78.6000111.1Q1119 T1120H1117-Q1119 PolarHBondContact O-N 3.26Å; H1117-T1120 PolarHBondContact O-N 3.04Å
1118I86.9Confident83.5Confident8 Ų859.6 Ų59.64%0.04131%0.31CS..Hα-helixtrans-59-29178.8-166.4167000113.2F797 Q801 L805 Y894 V1116 T1120 K1121 L1122F797-I1118 HydrophobicContact CD1-CD1 4.19Å; F797-I1118 HydrophobicContact CD1-CG2 4.36Å; F797-I1118 HydrophobicContact CE1-CB 4.49Å; F797-I1118 HydrophobicContact CE1-CD1 3.44Å; F797-I1118 VanDerWaalsContact CE1-CD1 3.44Å; F797-I1118 HydrophobicContact CE1-CG2 4.22Å; F797-I1118 HydrophobicContact CZ-CD1 3.68Å; Q801-I1118 HydrophobicContact CG-CG2 4.31Å; L805-I1118 HydrophobicContact CD1-CD1 4.23Å; L805-I1118 HydrophobicContact CD2-CD1 4.41Å; Y894-I1118 HydrophobicContact CD1-CB 3.99Å; Y894-I1118 HydrophobicContact CD2-CD1 4.08Å; Y894-I1118 HydrophobicContact CE1-CB 3.69Å; Y894-I1118 HydrophobicContact CE1-CG1 4.13Å; Y894-I1118 HydrophobicContact CE2-CB 4.44Å; Y894-I1118 HydrophobicContact CE2-CD1 3.92Å; Y894-I1118 HydrophobicContact CE2-CG1 4.05Å; Y894-I1118 HydrophobicContact CG-CB 4.48Å; V1116-I1118 PolarHBondContact O-N 3.03Å; I1118-T1120 VanDerWaalsContact C-N 3.27Å; I1118-T1120 PolarHBondContact O-N 2.96Å; I1118-K1121 WeakPolarHBondContact O-CA 3.47Å; I1118-K1121 WeakPolarHBondContact O-CB 3.45Å; I1118-K1121 PolarHBondContact O-N 3.47Å; I1118-L1122 HydrophobicContact CG1-CD1 4.4Å; I1118-L1122 HydrophobicContact CG1-CD2 4.47Å; I1118-L1122 HydrophobicContact CG1-CG 4.15Å; I1118-L1122 HydrophobicContact CG2-CD1 4.47Å; I1118-L1122 PolarHBondContact O-N 3.09Å
1119Q86.6Confident82.9Confident83 Ų8359.9 Ų59.939%0.38831%0.311SS..Hα-helixtrans-54.5-39.9-177.9-155.767.430.500113.5E804 H1117 K1121 L1122 G1123E804-Q1119 PolarHBondContact OE1-NE2 3.1Å; H1117-Q1119 PolarHBondContact O-N 3.26Å; Q1119-K1121 VanDerWaalsContact C-N 3.3Å; Q1119-K1121 PolarHBondContact O-N 3.46Å; Q1119-L1122 PolarHBondContact O-N 3.41Å; Q1119-G1123 VanDerWaalsContact O-N 3.13Å; Q1119-G1123 PolarHBondContact O-N 2.92Å
1120T84.7Confident81.7Confident91 Ų9160.6 Ų60.656%0.55831%0.314SS*.Hα-helixtrans-65.1-36.2177.5-50.70000111.5H1117 I1118 Q1124H1117-T1120 PolarHBondContact O-N 3.04Å; I1118-T1120 VanDerWaalsContact C-N 3.27Å; I1118-T1120 PolarHBondContact O-N 2.96Å; T1120-Q1124 WeakPolarHBondContact O-CG 3.46Å; T1120-Q1124 PolarHBondContact O-N 3.22Å
1121K86.9Confident80.4Confident30 Ų3064.3 Ų64.313%0.1332%0.32CS..Hα-helixtrans-74.7-37.3177.7-68.6-65-143.7121.40112.2L852 L853 E854 Y894 I1118 Q1119 Q1124 A1125L852-K1121 PolarHBondContact O-NZ 3.44Å; L853-K1121 HydrophobicContact CD2-CB 4.31Å; E854-K1121 WeakPolarHBondContact O-CE 3.46Å; E854-K1121 PolarHBondContact O-NZ 2.93Å; Y894-K1121 WeakPolarHBondContact OH-CG 3.45Å; I1118-K1121 WeakPolarHBondContact O-CA 3.47Å; I1118-K1121 WeakPolarHBondContact O-CB 3.45Å; I1118-K1121 PolarHBondContact O-N 3.47Å; Q1119-K1121 VanDerWaalsContact C-N 3.3Å; Q1119-K1121 PolarHBondContact O-N 3.46Å; K1121-Q1124 PolarHBondContact O-N 2.71Å; K1121-A1125 VanDerWaalsContact O-CB 3.3Å; K1121-A1125 WeakPolarHBondContact O-CB 3.29Å; K1121-A1125 PolarHBondContact O-N 3.14Å
1122L88.3Confident78.5Confident0 Ų067.1 Ų67.10%034%0.336CS..Hα-helixtrans-59-48.5173.1-64.6171.9000111.1Q801 E804 L805 L808 L853 I1118 Q1119 Q1124 A1125 R1126Q801-L1122 HydrophobicContact CB-CD1 4.5Å; Q801-L1122 HydrophobicContact CG-CD1 4.36Å; E804-L1122 HydrophobicContact CB-CD1 4.07Å; E804-L1122 HydrophobicContact CB-CD2 4.47Å; L805-L1122 HydrophobicContact CD2-CD2 3.59Å; L805-L1122 HydrophobicContact CG-CD2 3.8Å; L808-L1122 HydrophobicContact CD1-CD2 3.69Å; L853-L1122 HydrophobicContact CD2-CD2 3.95Å; I1118-L1122 HydrophobicContact CG1-CD1 4.4Å; I1118-L1122 HydrophobicContact CG1-CD2 4.47Å; I1118-L1122 HydrophobicContact CG1-CG 4.15Å; I1118-L1122 HydrophobicContact CG2-CD1 4.47Å; I1118-L1122 PolarHBondContact O-N 3.09Å; Q1119-L1122 PolarHBondContact O-N 3.41Å; L1122-Q1124 VanDerWaalsContact C-N 3.34Å; L1122-Q1124 PolarHBondContact O-N 3.34Å; L1122-A1125 PolarHBondContact O-N 3.34Å; L1122-R1126 WeakPolarHBondContact O-CB 3.49Å; L1122-R1126 PolarHBondContact O-N 2.87Å
1123G82.9Confident76.6Confident40 Ų4071.1 Ų71.141%0.41235%0.353SS..Hα-helixtrans-59.8-40.2176.300000113.6Q1119Q1119-G1123 VanDerWaalsContact O-N 3.13Å; Q1119-G1123 PolarHBondContact O-N 2.92Å
1124Q83.4Confident73.9Confident110 Ų11069.8 Ų69.851%0.51436%0.358SS..Hα-helixtrans-67.6-45.6174.6-72.7173-2.400112.2T1120 K1121 L1122 R1126 V1127 A1128T1120-Q1124 WeakPolarHBondContact O-CG 3.46Å; T1120-Q1124 PolarHBondContact O-N 3.22Å; K1121-Q1124 PolarHBondContact O-N 2.71Å; L1122-Q1124 VanDerWaalsContact C-N 3.34Å; L1122-Q1124 PolarHBondContact O-N 3.34Å; Q1124-R1126 VanDerWaalsContact C-N 3.34Å; Q1124-R1126 PolarHBondContact O-N 3.46Å; Q1124-V1127 PolarHBondContact O-N 3.18Å; Q1124-A1128 WeakPolarHBondContact O-CB 3.34Å; Q1124-A1128 PolarHBondContact O-N 2.73Å
1125A85.6Confident71.1Confident0 Ų072.7 Ų72.70%038%0.38CS..Hα-helixtrans-60.9-42-179.700000112L808 L852 L853 K1121 L1122 V1127 A1128 Q1129L808-A1125 HydrophobicContact CD1-CB 3.98Å; L808-A1125 HydrophobicContact CD2-CB 4.27Å; L852-A1125 HydrophobicContact CB-CB 3.99Å; L852-A1125 HydrophobicContact CD1-CB 4.12Å; L853-A1125 HydrophobicContact CD2-CB 3.83Å; L853-A1125 HydrophobicContact CG-CB 4.44Å; K1121-A1125 VanDerWaalsContact O-CB 3.3Å; K1121-A1125 WeakPolarHBondContact O-CB 3.29Å; K1121-A1125 PolarHBondContact O-N 3.14Å; L1122-A1125 PolarHBondContact O-N 3.34Å; A1125-V1127 PolarHBondContact O-N 3.49Å; A1125-A1128 PolarHBondContact O-N 3.32Å; A1125-A1128 VanDerWaalsContact O-N 3.11Å; A1125-Q1129 WeakPolarHBondContact O-CG 3.38Å; A1125-Q1129 PolarHBondContact O-N 3.27Å
1126R80.2Confident68.7Low156 Ų15677.3 Ų77.359%0.58940%0.398SS*.Hα-helixtrans-56.3-34.4177.7-173.1174.9178.2179.3-1.4113.3L808 L1122 Q1124L808-R1126 HydrophobicContact CD2-CB 4.23Å; L1122-R1126 WeakPolarHBondContact O-CB 3.49Å; L1122-R1126 PolarHBondContact O-N 2.87Å; Q1124-R1126 VanDerWaalsContact C-N 3.34Å; Q1124-R1126 PolarHBondContact O-N 3.46Å
1127V72.8Confident68.1Low96 Ų9678 Ų7858%0.58240%0.399SS*.Hα-helixtrans-86.2-32.8177-178.60000112Q1124 A1125Q1124-V1127 PolarHBondContact O-N 3.18Å; A1125-V1127 PolarHBondContact O-N 3.49Å
1128A76.8Confident67.5Low26 Ų2674.4 Ų74.422%0.21539%0.385CS..Hα-helixtrans-80.6-31.5-172.700000114.7L852 Q1124 A1125 L1130 K1131 L1132L852-A1128 HydrophobicContact CD1-CB 4.25Å; L852-A1128 HydrophobicContact CD2-CB 3.6Å; Q1124-A1128 WeakPolarHBondContact O-CB 3.34Å; Q1124-A1128 PolarHBondContact O-N 2.73Å; A1125-A1128 PolarHBondContact O-N 3.32Å; A1125-A1128 VanDerWaalsContact O-N 3.11Å; A1128-L1130 VanDerWaalsContact C-N 3.3Å; A1128-L1130 PolarHBondContact O-N 3.32Å; A1128-K1131 PolarHBondContact O-N 2.96Å; A1128-L1132 PolarHBondContact O-N 3.22Å
1129Q74.1Confident66.4Low7 Ų778.1 Ų78.13%0.03340%0.404CS..THydrogen-bonded Turntrans-54.2-40.2-174.6-81.8-175.9-9.600114.1L808 Q812 L849 L852 A1125L808-Q1129 PolarHBondContact O-NE2 3.11Å; Q812-Q1129 HydrophobicContact CG-CG 4.24Å; L849-Q1129 VanDerWaalsContact CD1-NE2 3.33Å; L852-Q1129 HydrophobicContact CD1-CG 4.06Å; A1125-Q1129 WeakPolarHBondContact O-CG 3.38Å; A1125-Q1129 PolarHBondContact O-N 3.27Å
1130L61.5Low65.3Low36 Ų3677.8 Ų77.819%0.18841%0.405CS..THydrogen-bonded Turntrans-75.1-25.4178-70.8177.6000113.5F183 I198 L815 A1128F183-L1130 HydrophobicContact CE1-CD2 4.31Å; I198-L1130 HydrophobicContact CG2-CD1 4.3Å; L815-L1130 HydrophobicContact CD2-CD2 4.32Å; A1128-L1130 VanDerWaalsContact C-N 3.3Å; A1128-L1130 PolarHBondContact O-N 3.32Å
1131K58.7Low64Low116 Ų11677 Ų7750%0.50440%0.395SS..THydrogen-bonded Turntrans-88.5-18.4-174-64-168.6172.3-156.40114.1A1128 K1133 A1134A1128-K1131 PolarHBondContact O-N 2.96Å; K1131-K1133 PolarHBondContact O-N 2.66Å; K1131-K1133 VanDerWaalsContact O-N 3.08Å; K1131-A1134 PolarHBondContact O-N 3.18Å
1132L48.2Very low62.5Low81 Ų8180.1 Ų80.142%0.42441%0.413SS..THydrogen-bonded Turntrans-69.5-6.5-166.7-99.4165.4000116L852 A1128L852-L1132 HydrophobicContact CD1-CD1 3.79Å; L852-L1132 HydrophobicContact CD2-CD1 3.98Å; L852-L1132 HydrophobicContact CG-CD1 4.03Å; A1128-L1132 PolarHBondContact O-N 3.22Å
1133K44.1Very low60.7Low85 Ų8585.9 Ų85.937%0.3744%0.442SS..THydrogen-bonded Turntrans-97.4-3.2178.2-72.8-176178-177.70114.9P153 L815 W819 K1131P153-K1133 HydrophobicContact CB-CB 4.44Å; P153-K1133 HydrophobicContact CB-CD 4.21Å; P153-K1133 HydrophobicContact CG-CB 3.92Å; P153-K1133 HydrophobicContact CG-CD 3.55Å; P153-K1133 HydrophobicContact CG-CG 4.34Å; L815-K1133 PolarHBondContact O-NZ 3.13Å; L815-K1133 VanDerWaalsContact O-NZ 3.12Å; W819-K1133 HydrophobicContact CZ3-CD 4.33Å; W819-K1133 VanDerWaalsContact CZ3-NZ 3.28Å; K1131-K1133 PolarHBondContact O-N 2.66Å; K1131-K1133 VanDerWaalsContact O-N 3.08Å
1134A30.2Very low59Low65 Ų6589.4 Ų89.454%0.53745%0.445SS..SBendtrans-82-13179.600000114.5K1131K1131-A1134 PolarHBondContact O-N 3.18Å
1135N25.6Very low56.9Low154 Ų15487.7 Ų87.782%0.82444%0.439SS*.  trans-12381.5-178-80.3-30.1000111.6
1136K25.5Very low54.3Low230 Ų23095.6 Ų95.6100%148%0.479SS*.  trans-153.50154.4-111.7174.4-172.3174.70110.1

Retrieved 1,136 of 1,136 residues in 400.9 ms (Link to these results)

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