A0A087YIX5_POEFO Loading...

Vesicle transport through interaction with t-SNAREs 1B

AlphaFold DB , UniProt , Accession A0A087YIX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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
1M47Very low76.1Confident204 Ų20492.2 Ų92.2100%1.00546%0.459SS*.  0-51.10-63.7-160175.400111S3 E4M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 2.73Å; M1-S3 VanDerWaalsContact O-N 3.09Å; M1-E4 PolarHBondContact O-N 2.94Å
2S57.6Low77.1Confident37 Ų3792 Ų9226%0.25946%0.457SS..Hα-helixtrans-54-30.6179.6-1780000117.1L6 E59S2-L6 WeakPolarHBondContact O-CB 3.45Å; S2-L6 PolarHBondContact O-N 3.35Å; S2-E59 WeakPolarHBondContact CA-OE1 3.45Å; S2-E59 WeakPolarHBondContact CB-OE1 3.46Å; S2-E59 PolarHBondContact OG-OE1 2.89Å
3S67.3Low78.1Confident84 Ų8485.3 Ų85.359%0.58742%0.424SS*.Hα-helixtrans-72.4-32.4-179.7-1680000114.2M1 E7M1-S3 VanDerWaalsContact C-N 3.29Å; M1-S3 PolarHBondContact O-N 2.73Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-E7 WeakPolarHBondContact O-CB 3.45Å; S3-E7 PolarHBondContact O-N 2.97Å
4E77.6Confident78.8Confident133 Ų13391.1 Ų91.162%0.62144%0.439SS*.Hα-helixtrans-79.1-36.1-175.9-69.5-179.5176.700111.5M1 E7 K8M1-E4 PolarHBondContact O-N 2.94Å; E4-E7 PolarHBondContact O-N 3.45Å; E4-K8 WeakPolarHBondContact O-CG 3.47Å; E4-K8 PolarHBondContact O-N 3.02Å; E4-K8 VanDerWaalsContact O-N 3.09Å
5E79.1Confident79.5Confident103 Ų10389.1 Ų89.148%0.48144%0.438SS..Hα-helixtrans-67.5-41.3176.3-71.8174.6148.600110.8E7 K8 L9E5-E7 PolarHBondContact O-N 3.4Å; E5-K8 PolarHBondContact O-N 3.45Å; E5-L9 WeakPolarHBondContact O-CD1 3.15Å; E5-L9 WeakPolarHBondContact O-CG 3.44Å; E5-L9 PolarHBondContact O-N 3.32Å
6L79.3Confident80.1Confident5 Ų584.7 Ų84.73%0.02642%0.416CS..Hα-helixtrans-66-35.8176-169.8121.7000112.9S2 L9 H10 E59 L60 Y67 M71S2-L6 WeakPolarHBondContact O-CB 3.45Å; S2-L6 PolarHBondContact O-N 3.35Å; L6-L9 PolarHBondContact O-N 3.31Å; L6-H10 WeakPolarHBondContact O-CB 3.47Å; L6-H10 PolarHBondContact O-N 3.18Å; L6-E59 HydrophobicContact CB-CG 4.03Å; L6-E59 HydrophobicContact CD1-CB 4.23Å; L6-E59 HydrophobicContact CD1-CG 4.12Å; L6-L60 HydrophobicContact CD1-CD2 3.71Å; L6-L60 HydrophobicContact CD1-CG 3.82Å; L6-Y67 HydrophobicContact CD1-CE1 4.48Å; L6-Y67 HydrophobicContact CD2-CE1 3.65Å; L6-Y67 WeakPolarHBondContact CD2-OH 3.24Å; L6-M71 HydrophobicContact CD2-CE 4.04Å
7E83.1Confident80.5Confident117 Ų11783.2 Ų83.255%0.54741%0.406SS..Hα-helixtrans-66.5-43.3175.1-169.9164.9-157.500111.3S3 E4 E5 L9 H10 E11S3-E7 WeakPolarHBondContact O-CB 3.45Å; S3-E7 PolarHBondContact O-N 2.97Å; E4-E7 PolarHBondContact O-N 3.45Å; E5-E7 PolarHBondContact O-N 3.4Å; E7-L9 PolarHBondContact O-N 2.92Å; E7-H10 WeakPolarHBondContact O-CB 3.08Å; E7-H10 PolarHBondContact O-N 3.49Å; E7-E11 PolarHBondContact O-N 2.94Å
8K87.2Confident80.9Confident127 Ų12783.3 Ų83.355%0.55241%0.408SS*.Hα-helixtrans-60.3-45.4173.2-72.3173.4-177.2173.70112.4E4 E5 H10 E11 M12E4-K8 WeakPolarHBondContact O-CG 3.47Å; E4-K8 PolarHBondContact O-N 3.02Å; E4-K8 VanDerWaalsContact O-N 3.09Å; E5-K8 PolarHBondContact O-N 3.45Å; K8-H10 VanDerWaalsContact C-N 3.27Å; K8-H10 PolarHBondContact O-N 3.19Å; K8-E11 PolarHBondContact O-N 3.45Å; K8-M12 WeakPolarHBondContact O-CG 2.99Å; K8-M12 PolarHBondContact O-N 3.18Å
9L85.8Confident81.1Confident29 Ų2983.6 Ų83.615%0.15241%0.408CS..Hα-helixtrans-59.8-39.4175.5-79.4152.3000111.6E5 L6 E7 M12 Y13 V52 M56 E59E5-L9 WeakPolarHBondContact O-CD1 3.15Å; E5-L9 WeakPolarHBondContact O-CG 3.44Å; E5-L9 PolarHBondContact O-N 3.32Å; L6-L9 PolarHBondContact O-N 3.31Å; E7-L9 PolarHBondContact O-N 2.92Å; L9-M12 HydrophobicContact CB-CE 4.47Å; L9-M12 HydrophobicContact CD2-CE 3.99Å; L9-M12 HydrophobicContact CG-CE 4.12Å; L9-M12 PolarHBondContact O-N 2.89Å; L9-Y13 WeakPolarHBondContact O-CB 3.14Å; L9-Y13 PolarHBondContact O-N 3.26Å; L9-V52 HydrophobicContact CD2-CG1 4.05Å; L9-V52 WeakPolarHBondContact O-CG1 3.46Å; L9-M56 HydrophobicContact CB-CG 3.56Å; L9-M56 HydrophobicContact CB-SD 4.42Å; L9-M56 HydrophobicContact CD1-CG 4.45Å; L9-M56 HydrophobicContact CD2-CG 4.35Å; L9-M56 HydrophobicContact CG-CG 4.34Å; L9-E59 HydrophobicContact CD1-CB 4.33Å
10H85.6Confident81.3Confident47 Ų4779.4 Ų79.422%0.21839%0.388CS..Hα-helixtrans-66.1-42.1176.7-161.7102.2000112.7L6 E7 K8 Y13 R14 M56 M71 Y78L6-H10 WeakPolarHBondContact O-CB 3.47Å; L6-H10 PolarHBondContact O-N 3.18Å; E7-H10 WeakPolarHBondContact O-CB 3.08Å; E7-H10 PolarHBondContact O-N 3.49Å; K8-H10 VanDerWaalsContact C-N 3.27Å; K8-H10 PolarHBondContact O-N 3.19Å; H10-Y13 PolarHBondContact O-N 2.81Å; H10-R14 WeakPolarHBondContact O-CB 3.33Å; H10-R14 PolarHBondContact O-N 3.44Å; H10-M56 HydrophobicContact CB-CE 3.96Å; H10-M71 WeakPolarHBondContact ND1-CE 3.22Å; H10-Y78 AromaticContact CE1-CE2 3.91Å; H10-Y78 AromaticContact CE1-CZ 3.91Å; H10-Y78 PolarHBondContact CE1-OH 2.83Å; H10-Y78 PolarHBondContact NE2-OH 3.35Å
11E88.2Confident81.5Confident128 Ų12881.1 Ų81.160%0.59839%0.394SS*.Hα-helixtrans-64.3-44.3175.8-73-174.8163.100111.7E7 K8 Y13 R14 S15E7-E11 PolarHBondContact O-N 2.94Å; K8-E11 PolarHBondContact O-N 3.45Å; E11-Y13 PolarHBondContact O-N 2.88Å; E11-R14 PolarHBondContact O-N 3.37Å; E11-S15 PolarHBondContact O-N 3.43Å; E11-S15 PolarHBondContact O-OG 3.05Å
12M88.1Confident83.2Confident90 Ų9075.1 Ų75.144%0.44337%0.365SS..Hα-helixtrans-61.1-44175.6-71.1-172.6-62.100112K8 L9 R14 S15 L16 V52K8-M12 WeakPolarHBondContact O-CG 2.99Å; K8-M12 PolarHBondContact O-N 3.18Å; L9-M12 HydrophobicContact CB-CE 4.47Å; L9-M12 HydrophobicContact CD2-CE 3.99Å; L9-M12 HydrophobicContact CG-CE 4.12Å; L9-M12 PolarHBondContact O-N 2.89Å; M12-R14 VanDerWaalsContact C-N 3.3Å; M12-R14 PolarHBondContact O-N 3.05Å; M12-S15 PolarHBondContact O-N 3.47Å; M12-S15 PolarHBondContact O-OG 3.47Å; M12-L16 WeakPolarHBondContact O-CB 3.28Å; M12-L16 WeakPolarHBondContact O-CG 3.32Å; M12-L16 PolarHBondContact O-N 3.22Å; M12-V52 HydrophobicContact CB-CG1 4.48Å
13Y89.4Confident84.3Confident5 Ų574 Ų742%0.0236%0.356CS..Hα-helixtrans-60.3-42.5175.2177-98.6000111.3L9 H10 E11 L16 Y17 A49 L53 Y78 L82L9-Y13 WeakPolarHBondContact O-CB 3.14Å; L9-Y13 PolarHBondContact O-N 3.26Å; H10-Y13 PolarHBondContact O-N 2.81Å; E11-Y13 PolarHBondContact O-N 2.88Å; Y13-L16 PolarHBondContact O-N 3.39Å; Y13-Y17 HydrophobicContact CE1-CD2 4.43Å; Y13-Y17 HydrophobicContact CE1-CG 4.49Å; Y13-Y17 VanDerWaalsContact O-CB 3.29Å; Y13-Y17 WeakPolarHBondContact O-CB 3.42Å; Y13-Y17 PolarHBondContact O-N 2.94Å; Y13-Y17 WeakPolarHBondContact OH-CD2 3.4Å; Y13-A49 HydrophobicContact CE2-CB 4.42Å; Y13-L53 HydrophobicContact CD2-CD1 4.35Å; Y13-L53 HydrophobicContact CD2-CD2 3.66Å; Y13-L53 HydrophobicContact CD2-CG 3.71Å; Y13-L53 HydrophobicContact CE2-CD1 3.7Å; Y13-L53 HydrophobicContact CE2-CD2 3.61Å; Y13-L53 HydrophobicContact CE2-CG 3.58Å; Y13-L53 HydrophobicContact CG-CD2 4.21Å; Y13-Y78 AromaticContact CD1-CD2 3.93Å; Y13-Y78 HydrophobicContact CD1-CD2 3.93Å; Y13-Y78 HydrophobicContact CD1-CE2 4.08Å; Y13-Y78 HydrophobicContact CD1-CG 4.22Å; Y13-Y78 AromaticContact CE1-CD1 3.64Å; Y13-Y78 HydrophobicContact CE1-CD1 3.64Å; Y13-Y78 AromaticContact CE1-CD2 3.61Å; Y13-Y78 HydrophobicContact CE1-CD2 3.61Å; Y13-Y78 HydrophobicContact CE1-CE1 4.05Å; Y13-Y78 HydrophobicContact CE1-CE2 4.04Å; Y13-Y78 AromaticContact CE1-CG 3.42Å; Y13-Y78 HydrophobicContact CE1-CG 3.42Å; Y13-Y78 VanDerWaalsContact CE1-CG 3.42Å; Y13-Y78 AromaticContact CZ-CG 3.71Å; Y13-Y78 VanDerWaalsContact OH-CB 3.28Å; Y13-Y78 WeakPolarHBondContact OH-CB 3.44Å; Y13-Y78 PolarHBondContact OH-O 2.88Å; Y13-L82 HydrophobicContact CE2-CD1 4.09Å; Y13-L82 HydrophobicContact CE2-CG 4.47Å
14R88.6Confident84.7Confident167 Ų16770.6 Ų70.663%0.6333%0.332SS*.Hα-helixtrans-65.1-44.7-178.8-171.4175.7-177173.70.8112.1H10 E11 M12 L16 Y17 D18H10-R14 WeakPolarHBondContact O-CB 3.33Å; H10-R14 PolarHBondContact O-N 3.44Å; E11-R14 PolarHBondContact O-N 3.37Å; M12-R14 VanDerWaalsContact C-N 3.3Å; M12-R14 PolarHBondContact O-N 3.05Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-Y17 PolarHBondContact O-N 3.44Å; R14-D18 PolarHBondContact O-N 3.15Å
15S89.6Confident84.7Confident61 Ų6170.1 Ų70.143%0.42733%0.329SS..Hα-helixtrans-62.5-42.7175.7550000111.8E11 M12 D18 E19E11-S15 PolarHBondContact O-N 3.43Å; E11-S15 PolarHBondContact O-OG 3.05Å; M12-S15 PolarHBondContact O-N 3.47Å; M12-S15 PolarHBondContact O-OG 3.47Å; S15-D18 PolarHBondContact O-N 2.85Å; S15-E19 WeakPolarHBondContact O-CG 3.25Å; S15-E19 PolarHBondContact O-N 2.95Å; S15-E19 VanDerWaalsContact O-N 3.11Å
16L87.9Confident84.5Confident18 Ų1872 Ų729%0.09433%0.332CS..Hα-helixtrans-62-45.5175.9-78.4167000111.4M12 Y13 R14 D18 E19 L20 E48 A49 V52M12-L16 WeakPolarHBondContact O-CB 3.28Å; M12-L16 WeakPolarHBondContact O-CG 3.32Å; M12-L16 PolarHBondContact O-N 3.22Å; Y13-L16 PolarHBondContact O-N 3.39Å; R14-L16 VanDerWaalsContact C-N 3.34Å; L16-D18 PolarHBondContact O-N 2.85Å; L16-E19 PolarHBondContact O-N 3.38Å; L16-L20 HydrophobicContact CB-CD1 4.34Å; L16-L20 WeakPolarHBondContact O-CD1 3.39Å; L16-L20 PolarHBondContact O-N 2.87Å; L16-E48 HydrophobicContact CD1-CB 4.21Å; L16-E48 HydrophobicContact CD2-CB 4.32Å; L16-A49 HydrophobicContact CB-CB 4.43Å; L16-V52 HydrophobicContact CD1-CG2 4Å
17Y87.3Confident84Confident60 Ų6071.8 Ų71.824%0.23533%0.331CS..Hα-helixtrans-61.9-42.4179.6-175.9-93.4000112.6Y13 R14 E19 L20 K21 D81 L85Y13-Y17 HydrophobicContact CE1-CD2 4.43Å; Y13-Y17 HydrophobicContact CE1-CG 4.49Å; Y13-Y17 VanDerWaalsContact O-CB 3.29Å; Y13-Y17 WeakPolarHBondContact O-CB 3.42Å; Y13-Y17 PolarHBondContact O-N 2.94Å; Y13-Y17 WeakPolarHBondContact OH-CD2 3.4Å; R14-Y17 PolarHBondContact O-N 3.44Å; Y17-E19 VanDerWaalsContact C-N 3.31Å; Y17-E19 PolarHBondContact O-N 2.9Å; Y17-L20 PolarHBondContact O-N 3.31Å; Y17-K21 WeakPolarHBondContact O-CB 3.34Å; Y17-K21 PolarHBondContact O-N 2.92Å; Y17-D81 HydrophobicContact CE2-CB 3.92Å; Y17-L85 HydrophobicContact CD2-CD1 3.95Å; Y17-L85 HydrophobicContact CE2-CD1 3.35Å
18D87.4Confident83.3Confident84 Ų8472.1 Ų72.145%0.44934%0.336SS..Hα-helixtrans-64.3-36.9177-74.5-23.4000111.5R14 S15 L16 L22R14-D18 PolarHBondContact O-N 3.15Å; S15-D18 PolarHBondContact O-N 2.85Å; L16-D18 PolarHBondContact O-N 2.85Å; D18-L22 WeakPolarHBondContact O-CG 3.36Å
19E85.1Confident82.5Confident89 Ų8971.3 Ų71.342%0.41634%0.342SS..Hα-helixtrans-68-47.2172.7-71.9-176.1-155.900112.3S15 L16 Y17 K21 L22 I23 R45S15-E19 WeakPolarHBondContact O-CG 3.25Å; S15-E19 PolarHBondContact O-N 2.95Å; S15-E19 VanDerWaalsContact O-N 3.11Å; L16-E19 PolarHBondContact O-N 3.38Å; Y17-E19 VanDerWaalsContact C-N 3.31Å; Y17-E19 PolarHBondContact O-N 2.9Å; E19-K21 PolarHBondContact O-N 3.29Å; E19-L22 PolarHBondContact O-N 3.2Å; E19-L22 VanDerWaalsContact O-N 3.15Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; E19-R45 IonicContact OE2-CZ 3.81Å; E19-R45 IonicContact OE2-NH1 2.72Å; E19-R45 PolarHBondContact OE2-NH1 3Å; E19-R45 IonicContact OE2-NH2 2.63Å; E19-R45 PolarHBondContact OE2-NH2 3.32Å
20L85.2Confident81.6Confident0 Ų070.4 Ų70.40%034%0.338CS..Hα-helixtrans-58.5-35.6177.7-94.3108.9000112.3L16 Y17 L22 I23 P24 F42 R45 Q46 A49 L82L16-L20 HydrophobicContact CB-CD1 4.34Å; L16-L20 WeakPolarHBondContact O-CD1 3.39Å; L16-L20 PolarHBondContact O-N 2.87Å; Y17-L20 PolarHBondContact O-N 3.31Å; L20-L22 VanDerWaalsContact C-N 3.28Å; L20-L22 PolarHBondContact O-N 3.09Å; L20-I23 PolarHBondContact O-N 3.15Å; L20-P24 WeakPolarHBondContact O-CD 3.4Å; L20-F42 HydrophobicContact CB-CE2 4.48Å; L20-F42 HydrophobicContact CD2-CD2 4.23Å; L20-F42 HydrophobicContact CD2-CE2 3.75Å; L20-F42 HydrophobicContact CD2-CZ 3.96Å; L20-F42 HydrophobicContact CG-CE2 4.38Å; L20-R45 HydrophobicContact CD1-CB 3.83Å; L20-R45 HydrophobicContact CG-CB 4.22Å; L20-Q46 HydrophobicContact CD2-CB 3.96Å; L20-Q46 HydrophobicContact CD2-CG 4.38Å; L20-A49 HydrophobicContact CD1-CB 4.16Å; L20-L82 HydrophobicContact CD2-CD2 4.01Å
21K86.3Confident80.8Confident116 Ų11675.6 Ų75.650%0.50436%0.362SS..Hα-helixtrans-64.2-31.8179.2-172.6-178.3175.9-170.30113.4Y17 E19 L85Y17-K21 WeakPolarHBondContact O-CB 3.34Å; Y17-K21 PolarHBondContact O-N 2.92Å; E19-K21 PolarHBondContact O-N 3.29Å; K21-L85 HydrophobicContact CB-CD2 4.33Å
22L82.8Confident80.1Confident77 Ų7771.8 Ų71.840%0.40336%0.357SS..Hα-helixtrans-82.6-20-176.6-65.8169.6000113D18 E19 L20 R26D18-L22 WeakPolarHBondContact O-CG 3.36Å; E19-L22 PolarHBondContact O-N 3.2Å; E19-L22 VanDerWaalsContact O-N 3.15Å; L20-L22 VanDerWaalsContact C-N 3.28Å; L20-L22 PolarHBondContact O-N 3.09Å; L22-R26 WeakPolarHBondContact O-CG 3.28Å; L22-R26 PolarHBondContact O-N 3.43Å; L22-R26 VanDerWaalsContact O-N 3.16Å
23I79.1Confident79.5Confident15 Ų1575.6 Ų75.68%0.07737%0.374CS..Hα-helixtrans-71.2-44.3-174.6-62.7167.3000112.6E19 L20 E25 R26 A27 L38 F42 M89E19-I23 WeakPolarHBondContact O-CG1 3.44Å; L20-I23 PolarHBondContact O-N 3.15Å; I23-E25 VanDerWaalsContact C-N 3.34Å; I23-E25 PolarHBondContact O-N 2.84Å; I23-R26 PolarHBondContact O-N 3.46Å; I23-A27 VanDerWaalsContact O-CB 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.42Å; I23-A27 PolarHBondContact O-N 2.93Å; I23-L38 HydrophobicContact CG2-CB 4.23Å; I23-L38 HydrophobicContact CG2-CD2 4.39Å; I23-F42 HydrophobicContact CB-CD2 4.02Å; I23-F42 HydrophobicContact CD1-CB 4.46Å; I23-F42 HydrophobicContact CD1-CD2 4.35Å; I23-F42 HydrophobicContact CG2-CB 3.89Å; I23-F42 HydrophobicContact CG2-CD2 4.01Å; I23-F42 HydrophobicContact CG2-CG 4.41Å; I23-M89 HydrophobicContact CG2-CE 4.16Å; I23-M89 HydrophobicContact CG2-SD 4.38Å
24P75.7Confident78.9Confident11 Ų1181.1 Ų81.17%0.07140%0.4CS..Hα-helixtrans-60.1-39.7175.4-26.334.5000113.5L20 A27 L28 F42 L85 M89L20-P24 WeakPolarHBondContact O-CD 3.4Å; P24-A27 PolarHBondContact O-N 3.49Å; P24-L28 WeakPolarHBondContact O-CG 3.44Å; P24-L28 PolarHBondContact O-N 3.09Å; P24-L28 VanDerWaalsContact O-N 3.15Å; P24-F42 HydrophobicContact CG-CD2 4.49Å; P24-F42 HydrophobicContact CG-CE2 4.04Å; P24-L85 HydrophobicContact CG-CD2 4.3Å; P24-M89 HydrophobicContact CB-SD 4.42Å; P24-M89 HydrophobicContact CG-CB 4.44Å; P24-M89 HydrophobicContact CG-SD 4.33Å
25E77.3Confident78.2Confident123 Ų12376.2 Ų76.258%0.57538%0.381SS*.Hα-helixtrans-63.6-43176.1-70.6-171.7167.100111.5I23 L28I23-E25 VanDerWaalsContact C-N 3.34Å; I23-E25 PolarHBondContact O-N 2.84Å; E25-L28 PolarHBondContact O-N 3.36Å
26R75Confident77.7Confident144 Ų14479.2 Ų79.254%0.54339%0.387SS..Hα-helixtrans-67-41.3175.1-70.3174.9-176.5-178.92.7111.7L22 I23 L28 T29 S30 L38L22-R26 WeakPolarHBondContact O-CG 3.28Å; L22-R26 PolarHBondContact O-N 3.43Å; L22-R26 VanDerWaalsContact O-N 3.16Å; I23-R26 PolarHBondContact O-N 3.46Å; R26-L28 PolarHBondContact O-N 2.91Å; R26-T29 WeakPolarHBondContact O-CA 3.37Å; R26-T29 PolarHBondContact O-N 3.47Å; R26-T29 PolarHBondContact O-OG1 2.94Å; R26-S30 PolarHBondContact O-N 2.94Å; R26-S30 PolarHBondContact O-OG 2.98Å; R26-L38 HydrophobicContact CB-CD1 4.23Å
27A69.6Low77.4Confident0 Ų087.5 Ų87.50%042%0.417CS..Hα-helixtrans-63.3-25.6179.700000113.6I23 P24 T29 L38 M89I23-A27 VanDerWaalsContact O-CB 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.42Å; I23-A27 PolarHBondContact O-N 2.93Å; P24-A27 PolarHBondContact O-N 3.49Å; A27-T29 VanDerWaalsContact C-N 3.32Å; A27-L38 HydrophobicContact CB-CD1 4.45Å; A27-M89 HydrophobicContact CB-CE 3.72Å; A27-M89 HydrophobicContact CB-SD 3.87Å
28L68.7Low77.2Confident124 Ų12486.1 Ų86.165%0.64941%0.413SS*.Hα-helixtrans-69.2-29.6170.7-76.1159.3000112.7P24 E25 R26 A92P24-L28 WeakPolarHBondContact O-CG 3.44Å; P24-L28 PolarHBondContact O-N 3.09Å; P24-L28 VanDerWaalsContact O-N 3.15Å; E25-L28 PolarHBondContact O-N 3.36Å; R26-L28 PolarHBondContact O-N 2.91Å; L28-A92 HydrophobicContact CD2-CB 4.16Å; L28-A92 HydrophobicContact CG-CB 4.09Å
29T69.9Low77Confident109 Ų10982.9 Ų82.967%0.66940%0.396SS*.Hα-helixtrans-94.3-16.9-178.760.90000114R26 A27R26-T29 WeakPolarHBondContact O-CA 3.37Å; R26-T29 PolarHBondContact O-N 3.47Å; R26-T29 PolarHBondContact O-OG1 2.94Å; A27-T29 VanDerWaalsContact C-N 3.32Å
30S67.2Low77Confident11 Ų1186.8 Ų86.88%0.07741%0.407CS..  trans-95.7143.6-177.9-50.80000112.2R26 L38R26-S30 PolarHBondContact O-N 2.94Å; R26-S30 PolarHBondContact O-OG 2.98Å; S30-L38 WeakPolarHBondContact OG-CD1 3.24Å
31H68.4Low77.1Confident155 Ų15589 Ų8972%0.71842%0.421SS*.  trans-117.3150.6179.9-68.6-78.2000112.6E33H31-E33 PolarHBondContact O-N 2.9Å
32G74.3Confident77.1Confident48 Ų4883.5 Ų83.550%0.49540%0.397SS..THydrogen-bonded Turntrans65.4-123.4170.200000115.1R35 K36G32-R35 PolarHBondContact O-N 3.34Å; G32-K36 PolarHBondContact O-N 3.15Å
33E75.4Confident77.3Confident171 Ų17183.3 Ų83.380%0.79940%0.396SS*.Hα-helixtrans-67.8-33.8-175.1-68.2-169.7153.500113.6H31 R35 K36 R37H31-E33 PolarHBondContact O-N 2.9Å; E33-R35 VanDerWaalsContact C-N 3.33Å; E33-R35 PolarHBondContact O-N 2.85Å; E33-K36 WeakPolarHBondContact O-CB 3.38Å; E33-K36 PolarHBondContact O-N 3.42Å; E33-R37 PolarHBondContact O-N 2.99Å
34E75.6Confident77.7Confident121 Ų12187 Ų8757%0.56541%0.413SS*.Hα-helixtrans-65.4-40.3177.4-170.8175.4-169.700110.8R37 L38E34-R37 PolarHBondContact O-N 3.21Å; E34-L38 WeakPolarHBondContact O-CB 3.3Å; E34-L38 VanDerWaalsContact O-CG 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.29Å; E34-L38 PolarHBondContact O-N 3.42Å
35R74.4Confident78.2Confident64 Ų6489.9 Ų89.924%0.24242%0.423CS..Hα-helixtrans-63.6-41.8173.1-172.2172.5174.4-167.53.7111.6G32 E33 R37 L38 V39 A92G32-R35 PolarHBondContact O-N 3.34Å; E33-R35 VanDerWaalsContact C-N 3.33Å; E33-R35 PolarHBondContact O-N 2.85Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 2.87Å; R35-L38 PolarHBondContact O-N 3.39Å; R35-V39 VanDerWaalsContact O-CG2 3.22Å; R35-V39 WeakPolarHBondContact O-CG2 3.37Å; R35-V39 PolarHBondContact O-N 3.16Å; R35-A92 PolarHBondContact NE-O 3.39Å; R35-A92 VanDerWaalsContact NH2-C 3.34Å; R35-A92 PolarHBondContact NH2-O 3.26Å
36K78.8Confident78.7Confident124 Ų12484.4 Ų84.454%0.53940%0.397SS..Hα-helixtrans-61.4-42174.9-172.7-176-170.4178.80112G32 E33 V39 R40 F96G32-K36 PolarHBondContact O-N 3.15Å; E33-K36 WeakPolarHBondContact O-CB 3.38Å; E33-K36 PolarHBondContact O-N 3.42Å; K36-V39 PolarHBondContact O-N 3.29Å; K36-R40 PolarHBondContact O-N 2.89Å; K36-R40 VanDerWaalsContact O-N 3.11Å; K36-F96 HydrophobicContact CB-CD1 4.01Å; K36-F96 HydrophobicContact CB-CE1 3.7Å; K36-F96 HydrophobicContact CB-CZ 4.11Å; K36-F96 HydrophobicContact CD-CD1 4.11Å; K36-F96 HydrophobicContact CD-CE1 3.61Å; K36-F96 HydrophobicContact CG-CD1 3.66Å; K36-F96 HydrophobicContact CG-CE1 3.56Å; K36-F96 HydrophobicContact CG-CZ 4.44Å
37R83Confident79.3Confident192 Ų19279.2 Ų79.273%0.72539%0.389SS*.Hα-helixtrans-63.5-44.5175.6-173.5-178.6176.5-153.4-0.7111E33 E34 R35 V39 R40 T41E33-R37 PolarHBondContact O-N 2.99Å; E34-R37 PolarHBondContact O-N 3.21Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 2.87Å; R37-V39 PolarHBondContact O-N 2.98Å; R37-R40 PolarHBondContact O-N 3.37Å; R37-T41 PolarHBondContact O-N 3.48Å; R37-T41 PolarHBondContact O-OG1 2.96Å; R37-T41 VanDerWaalsContact O-OG1 3.09Å
38L82.3Confident80.2Confident30 Ų3083.2 Ų83.216%0.15741%0.407CS..Hα-helixtrans-62.9-38.9176.9-72.3171.9000112.7I23 R26 A27 S30 E34 R35 T41 F42I23-L38 HydrophobicContact CG2-CB 4.23Å; I23-L38 HydrophobicContact CG2-CD2 4.39Å; R26-L38 HydrophobicContact CB-CD1 4.23Å; A27-L38 HydrophobicContact CB-CD1 4.45Å; S30-L38 WeakPolarHBondContact OG-CD1 3.24Å; E34-L38 WeakPolarHBondContact O-CB 3.3Å; E34-L38 VanDerWaalsContact O-CG 3.29Å; E34-L38 WeakPolarHBondContact O-CG 3.29Å; E34-L38 PolarHBondContact O-N 3.42Å; R35-L38 PolarHBondContact O-N 3.39Å; L38-T41 PolarHBondContact O-N 2.84Å; L38-F42 VanDerWaalsContact O-CB 3.28Å; L38-F42 WeakPolarHBondContact O-CB 3.22Å; L38-F42 PolarHBondContact O-N 2.94Å
39V83.3Confident81.1Confident16 Ų1677.3 Ų77.310%0.09738%0.376CS..Hα-helixtrans-60.8-47.4173.4174.20000110.9R35 K36 R37 T41 F42 D43 M89 A93 F96R35-V39 VanDerWaalsContact O-CG2 3.22Å; R35-V39 WeakPolarHBondContact O-CG2 3.37Å; R35-V39 PolarHBondContact O-N 3.16Å; K36-V39 PolarHBondContact O-N 3.29Å; R37-V39 PolarHBondContact O-N 2.98Å; V39-T41 PolarHBondContact O-N 3.29Å; V39-F42 WeakPolarHBondContact O-CB 3.45Å; V39-F42 PolarHBondContact O-N 3.03Å; V39-D43 PolarHBondContact O-N 3.18Å; V39-M89 VanDerWaalsContact CA-CE 3.41Å; V39-M89 HydrophobicContact CB-CE 3.93Å; V39-M89 HydrophobicContact CG2-CE 3.38Å; V39-A93 HydrophobicContact CG2-CB 3.68Å; V39-F96 HydrophobicContact CG2-CB 4.35Å
40R84.7Confident82.1Confident171 Ų17176.9 Ų76.965%0.64537%0.367SS*.Hα-helixtrans-63.7-44.2178.8-177.4178.8170.7169.23.8112.2K36 R37 F42 D43 E44K36-R40 PolarHBondContact O-N 2.89Å; K36-R40 VanDerWaalsContact O-N 3.11Å; R37-R40 PolarHBondContact O-N 3.37Å; R40-F42 VanDerWaalsContact C-N 3.29Å; R40-F42 PolarHBondContact O-N 3.36Å; R40-D43 PolarHBondContact O-N 3.49Å; R40-E44 WeakPolarHBondContact CG-OE1 3.31Å; R40-E44 IonicContact CZ-OE1 3.43Å; R40-E44 IonicContact NE-OE1 2.64Å; R40-E44 PolarHBondContact NE-OE1 3.38Å; R40-E44 IonicContact NH2-OE1 3.37Å; R40-E44 WeakPolarHBondContact O-CG 3.38Å; R40-E44 PolarHBondContact O-N 3.48Å
41T86.9Confident83.1Confident46 Ų4683 Ų8328%0.28239%0.394SS..Hα-helixtrans-63.8-36.9176-58.60000111.3R37 L38 V39 R45R37-T41 PolarHBondContact O-N 3.48Å; R37-T41 PolarHBondContact O-OG1 2.96Å; R37-T41 VanDerWaalsContact O-OG1 3.09Å; L38-T41 PolarHBondContact O-N 2.84Å; V39-T41 PolarHBondContact O-N 3.29Å; T41-R45 HydrophobicContact CG2-CG 4.34Å; T41-R45 WeakPolarHBondContact O-CB 3.48Å; T41-R45 VanDerWaalsContact O-CG 3.3Å; T41-R45 WeakPolarHBondContact O-CG 3.36Å; T41-R45 PolarHBondContact O-N 3.33Å
42F87.7Confident84.2Confident1 Ų176.6 Ų76.60%0.00437%0.366CS..Hα-helixtrans-61.1-48.5173.4-177.2-90000111.6L20 I23 P24 L38 V39 R40 E44 R45 Q46 L85 Q86 M89L20-F42 HydrophobicContact CB-CE2 4.48Å; L20-F42 HydrophobicContact CD2-CD2 4.23Å; L20-F42 HydrophobicContact CD2-CE2 3.75Å; L20-F42 HydrophobicContact CD2-CZ 3.96Å; L20-F42 HydrophobicContact CG-CE2 4.38Å; I23-F42 HydrophobicContact CB-CD2 4.02Å; I23-F42 HydrophobicContact CD1-CB 4.46Å; I23-F42 HydrophobicContact CD1-CD2 4.35Å; I23-F42 HydrophobicContact CG2-CB 3.89Å; I23-F42 HydrophobicContact CG2-CD2 4.01Å; I23-F42 HydrophobicContact CG2-CG 4.41Å; P24-F42 HydrophobicContact CG-CD2 4.49Å; P24-F42 HydrophobicContact CG-CE2 4.04Å; L38-F42 VanDerWaalsContact O-CB 3.28Å; L38-F42 WeakPolarHBondContact O-CB 3.22Å; L38-F42 PolarHBondContact O-N 2.94Å; V39-F42 WeakPolarHBondContact O-CB 3.45Å; V39-F42 PolarHBondContact O-N 3.03Å; R40-F42 VanDerWaalsContact C-N 3.29Å; R40-F42 PolarHBondContact O-N 3.36Å; F42-E44 PolarHBondContact O-N 2.88Å; F42-R45 PolarHBondContact O-N 3.38Å; F42-Q46 HydrophobicContact CE1-CB 4.46Å; F42-Q46 VanDerWaalsContact O-CB 3.24Å; F42-Q46 WeakPolarHBondContact O-CB 3.42Å; F42-Q46 PolarHBondContact O-N 3.06Å; F42-L85 HydrophobicContact CE2-CB 4.38Å; F42-L85 HydrophobicContact CZ-CB 4.07Å; F42-Q86 HydrophobicContact CE1-CB 4.35Å; F42-Q86 HydrophobicContact CE1-CG 4.47Å; F42-M89 HydrophobicContact CB-CE 4.19Å; F42-M89 HydrophobicContact CB-CG 4.25Å; F42-M89 HydrophobicContact CD1-CB 3.94Å; F42-M89 HydrophobicContact CD1-CG 3.66Å; F42-M89 HydrophobicContact CD2-CB 4.37Å; F42-M89 HydrophobicContact CD2-CG 4.14Å; F42-M89 HydrophobicContact CD2-SD 4.44Å; F42-M89 HydrophobicContact CE1-CB 3.73Å; F42-M89 HydrophobicContact CE1-CG 4.01Å; F42-M89 HydrophobicContact CE2-CB 4.16Å; F42-M89 HydrophobicContact CE2-CG 4.44Å; F42-M89 HydrophobicContact CG-CB 4.26Å; F42-M89 HydrophobicContact CG-CG 3.74Å; F42-M89 HydrophobicContact CG-SD 4.36Å; F42-M89 HydrophobicContact CZ-CB 3.84Å; F42-M89 HydrophobicContact CZ-CG 4.38Å
43D85.4Confident84.9Confident74 Ų7474.4 Ų74.440%0.39634%0.343SS..Hα-helixtrans-62.7-41.6179.5-71.6-21.2000111.7V39 R40 Q46 G47V39-D43 PolarHBondContact O-N 3.18Å; R40-D43 PolarHBondContact O-N 3.49Å; D43-Q46 PolarHBondContact O-N 2.74Å; D43-G47 PolarHBondContact O-N 2.95Å
44E88.1Confident85.6Confident91 Ų9171.3 Ų71.343%0.42533%0.328SS..Hα-helixtrans-61.2-50.9175.5-73.8168.1-175.300111.1R40 F42 Q46 G47 E48R40-E44 WeakPolarHBondContact CG-OE1 3.31Å; R40-E44 IonicContact CZ-OE1 3.43Å; R40-E44 IonicContact NE-OE1 2.64Å; R40-E44 PolarHBondContact NE-OE1 3.38Å; R40-E44 IonicContact NH2-OE1 3.37Å; R40-E44 WeakPolarHBondContact O-CG 3.38Å; R40-E44 PolarHBondContact O-N 3.48Å; F42-E44 PolarHBondContact O-N 2.88Å; E44-Q46 VanDerWaalsContact C-N 3.33Å; E44-Q46 PolarHBondContact O-N 3.5Å; E44-G47 PolarHBondContact O-N 3.41Å; E44-E48 PolarHBondContact O-N 2.89Å; E44-E48 VanDerWaalsContact O-N 3.1Å
45R85.9Confident86.1Confident73 Ų7366.5 Ų66.528%0.27531%0.311SS..Hα-helixtrans-68.6-31179-64.1-46.8-170.287.113.2113.1E19 L20 T41 F42 G47 E48 A49E19-R45 IonicContact OE2-CZ 3.81Å; E19-R45 IonicContact OE2-NH1 2.72Å; E19-R45 PolarHBondContact OE2-NH1 3Å; E19-R45 IonicContact OE2-NH2 2.63Å; E19-R45 PolarHBondContact OE2-NH2 3.32Å; L20-R45 HydrophobicContact CD1-CB 3.83Å; L20-R45 HydrophobicContact CG-CB 4.22Å; T41-R45 HydrophobicContact CG2-CG 4.34Å; T41-R45 WeakPolarHBondContact O-CB 3.48Å; T41-R45 VanDerWaalsContact O-CG 3.3Å; T41-R45 WeakPolarHBondContact O-CG 3.36Å; T41-R45 PolarHBondContact O-N 3.33Å; F42-R45 PolarHBondContact O-N 3.38Å; R45-G47 VanDerWaalsContact C-N 3.33Å; R45-E48 WeakPolarHBondContact CD-OE2 3.37Å; R45-E48 IonicContact NE-OE2 3.2Å; R45-E48 PolarHBondContact O-N 3.1Å; R45-A49 WeakPolarHBondContact O-CB 3.3Å; R45-A49 PolarHBondContact O-N 3.09Å
46Q87.7Confident86.6Confident7 Ų763.5 Ų63.53%0.03330%0.3CS..Hα-helixtrans-63.1-43.6173-171.9-173.6-23.700110.4L20 F42 D43 E44 A49 E50 Q86L20-Q46 HydrophobicContact CD2-CB 3.96Å; L20-Q46 HydrophobicContact CD2-CG 4.38Å; F42-Q46 HydrophobicContact CE1-CB 4.46Å; F42-Q46 VanDerWaalsContact O-CB 3.24Å; F42-Q46 WeakPolarHBondContact O-CB 3.42Å; F42-Q46 PolarHBondContact O-N 3.06Å; D43-Q46 PolarHBondContact O-N 2.74Å; E44-Q46 VanDerWaalsContact C-N 3.33Å; E44-Q46 PolarHBondContact O-N 3.5Å; Q46-A49 PolarHBondContact O-N 2.89Å; Q46-E50 PolarHBondContact NE2-OE1 3.47Å; Q46-E50 WeakPolarHBondContact O-CG 3.42Å; Q46-E50 PolarHBondContact O-N 3.08Å; Q46-Q86 VanDerWaalsContact NE2-NE2 3.19Å; Q46-Q86 VanDerWaalsContact OE1-CG 3.26Å
47G86.9Confident87Confident36 Ų3661 Ų6137%0.37129%0.29SS..Hα-helixtrans-59.3-45.9174.100000112.5D43 E44 R45 A49 E50 E51D43-G47 PolarHBondContact O-N 2.95Å; E44-G47 PolarHBondContact O-N 3.41Å; R45-G47 VanDerWaalsContact C-N 3.33Å; G47-A49 VanDerWaalsContact C-N 3.34Å; G47-A49 PolarHBondContact O-N 3.13Å; G47-E50 PolarHBondContact O-N 3.43Å; G47-E51 PolarHBondContact O-N 2.83Å
48E89.3Confident87.2Confident84 Ų8456.9 Ų56.939%0.39328%0.279SS..Hα-helixtrans-59.7-42.2175.5-68.6171.7-158.800112L16 E44 R45 E50 E51 V52L16-E48 HydrophobicContact CD1-CB 4.21Å; L16-E48 HydrophobicContact CD2-CB 4.32Å; E44-E48 PolarHBondContact O-N 2.89Å; E44-E48 VanDerWaalsContact O-N 3.1Å; R45-E48 WeakPolarHBondContact CD-OE2 3.37Å; R45-E48 IonicContact NE-OE2 3.2Å; R45-E48 PolarHBondContact O-N 3.1Å; E48-E50 PolarHBondContact O-N 3.07Å; E48-E51 PolarHBondContact O-N 3.41Å; E48-V52 WeakPolarHBondContact O-CG2 3.49Å; E48-V52 PolarHBondContact O-N 3.49Å
49A88.8Confident87.4Confident0 Ų057.5 Ų57.50%028%0.281CS..Hα-helixtrans-66.4-36.7177.800000112.4Y13 L16 L20 R45 Q46 G47 L53 L82Y13-A49 HydrophobicContact CE2-CB 4.42Å; L16-A49 HydrophobicContact CB-CB 4.43Å; L20-A49 HydrophobicContact CD1-CB 4.16Å; R45-A49 WeakPolarHBondContact O-CB 3.3Å; R45-A49 PolarHBondContact O-N 3.09Å; Q46-A49 PolarHBondContact O-N 2.89Å; G47-A49 VanDerWaalsContact C-N 3.34Å; G47-A49 PolarHBondContact O-N 3.13Å; A49-L53 WeakPolarHBondContact O-CG 3.34Å; A49-L53 PolarHBondContact O-N 3.32Å; A49-L82 HydrophobicContact CB-CD1 4.09Å; A49-L82 HydrophobicContact CB-CD2 3.99Å
50E89.3Confident87.4Confident100 Ų10057 Ų5747%0.46728%0.278SS..Hα-helixtrans-66.9-40.1174.3-74175.6-165.800111.8Q46 G47 E48 L53 Q54 L82Q46-E50 PolarHBondContact NE2-OE1 3.47Å; Q46-E50 WeakPolarHBondContact O-CG 3.42Å; Q46-E50 PolarHBondContact O-N 3.08Å; G47-E50 PolarHBondContact O-N 3.43Å; E48-E50 PolarHBondContact O-N 3.07Å; E50-L53 PolarHBondContact O-N 3.01Å; E50-Q54 PolarHBondContact O-N 3.36Å; E50-L82 HydrophobicContact CG-CD1 4.3Å
51E89.9Confident87.2Confident139 Ų13958.4 Ų58.465%0.6528%0.283SS*.Hα-helixtrans-63-44.7174.8-174.1177.9-177.800111.7G47 E48 L53 Q54 G55G47-E51 PolarHBondContact O-N 2.83Å; E48-E51 PolarHBondContact O-N 3.41Å; E51-L53 VanDerWaalsContact C-N 3.35Å; E51-L53 PolarHBondContact O-N 3.37Å; E51-Q54 WeakPolarHBondContact O-CB 3.46Å; E51-Q54 PolarHBondContact O-N 3.06Å; E51-G55 PolarHBondContact O-N 3.5Å
52V90.1Very high86.7Confident20 Ų2059.2 Ų59.212%0.12130%0.301CS..Hα-helixtrans-62.3-41.9175.6172.60000111.2L9 M12 L16 E48 Q54 G55 M56L9-V52 HydrophobicContact CD2-CG1 4.05Å; L9-V52 WeakPolarHBondContact O-CG1 3.46Å; M12-V52 HydrophobicContact CB-CG1 4.48Å; L16-V52 HydrophobicContact CD1-CG2 4Å; E48-V52 WeakPolarHBondContact O-CG2 3.49Å; E48-V52 PolarHBondContact O-N 3.49Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.27Å; V52-G55 PolarHBondContact O-N 3Å; V52-M56 HydrophobicContact CG1-SD 4.41Å; V52-M56 WeakPolarHBondContact O-CG 3.38Å; V52-M56 PolarHBondContact O-N 3.41Å
53L89.3Confident86.2Confident2 Ų259.9 Ų59.91%0.0131%0.306CS..Hα-helixtrans-63.2-36.9175.6-74.4176.8000112.3Y13 A49 E50 E51 M56 E57 L75 Y78 R79 L82Y13-L53 HydrophobicContact CD2-CD1 4.35Å; Y13-L53 HydrophobicContact CD2-CD2 3.66Å; Y13-L53 HydrophobicContact CD2-CG 3.71Å; Y13-L53 HydrophobicContact CE2-CD1 3.7Å; Y13-L53 HydrophobicContact CE2-CD2 3.61Å; Y13-L53 HydrophobicContact CE2-CG 3.58Å; Y13-L53 HydrophobicContact CG-CD2 4.21Å; A49-L53 WeakPolarHBondContact O-CG 3.34Å; A49-L53 PolarHBondContact O-N 3.32Å; E50-L53 PolarHBondContact O-N 3.01Å; E51-L53 VanDerWaalsContact C-N 3.35Å; E51-L53 PolarHBondContact O-N 3.37Å; L53-M56 HydrophobicContact CD2-SD 4.18Å; L53-M56 PolarHBondContact O-N 2.97Å; L53-E57 PolarHBondContact O-N 2.95Å; L53-E57 VanDerWaalsContact O-N 3.15Å; L53-L75 HydrophobicContact CD2-CD2 3.52Å; L53-Y78 HydrophobicContact CD2-CD2 3.89Å; L53-Y78 HydrophobicContact CD2-CG 4.32Å; L53-R79 HydrophobicContact CD1-CG 3.91Å; L53-L82 HydrophobicContact CD1-CD1 3.47Å; L53-L82 VanDerWaalsContact CD1-CD1 3.47Å
54Q89.9Confident86Confident107 Ų10760.6 Ų60.650%0.532%0.315SS..Hα-helixtrans-65.4-44.1173.8-174.3179.9-22.400111.2E50 E51 V52 M56 E57 E58E50-Q54 PolarHBondContact O-N 3.36Å; E51-Q54 WeakPolarHBondContact O-CB 3.46Å; E51-Q54 PolarHBondContact O-N 3.06Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.27Å; Q54-M56 VanDerWaalsContact C-N 3.28Å; Q54-M56 PolarHBondContact O-N 3.01Å; Q54-E57 WeakPolarHBondContact O-CB 3.39Å; Q54-E57 PolarHBondContact O-N 2.91Å; Q54-E58 PolarHBondContact NE2-OE1 3.25Å; Q54-E58 VanDerWaalsContact NE2-OE1 3.16Å; Q54-E58 PolarHBondContact O-N 2.64Å
55G86.3Confident85.4Confident20 Ų2059.9 Ų59.921%0.20632%0.32CS..Hα-helixtrans-58.8-38.7174.100000112.8E51 V52 E57 E58 E59E51-G55 PolarHBondContact O-N 3.5Å; V52-G55 PolarHBondContact O-N 3Å; G55-E57 VanDerWaalsContact C-N 3.33Å; G55-E57 PolarHBondContact O-N 3.42Å; G55-E58 PolarHBondContact O-N 3.47Å; G55-E59 WeakPolarHBondContact O-CB 3.4Å; G55-E59 PolarHBondContact O-N 3.26Å
56M86.1Confident85Confident0 Ų060.8 Ų60.80%034%0.338CS..Hα-helixtrans-63.4-36.3173.3-68174.682.600112.6L9 H10 V52 L53 Q54 L60 M71 L75L9-M56 HydrophobicContact CB-CG 3.56Å; L9-M56 HydrophobicContact CB-SD 4.42Å; L9-M56 HydrophobicContact CD1-CG 4.45Å; L9-M56 HydrophobicContact CD2-CG 4.35Å; L9-M56 HydrophobicContact CG-CG 4.34Å; H10-M56 HydrophobicContact CB-CE 3.96Å; V52-M56 HydrophobicContact CG1-SD 4.41Å; V52-M56 WeakPolarHBondContact O-CG 3.38Å; V52-M56 PolarHBondContact O-N 3.41Å; L53-M56 HydrophobicContact CD2-SD 4.18Å; L53-M56 PolarHBondContact O-N 2.97Å; Q54-M56 VanDerWaalsContact C-N 3.28Å; Q54-M56 PolarHBondContact O-N 3.01Å; M56-L60 WeakPolarHBondContact O-CB 3.3Å; M56-L60 WeakPolarHBondContact O-CG 3.36Å; M56-L60 PolarHBondContact O-N 2.9Å; M56-M71 HydrophobicContact CE-CE 3.28Å; M56-L75 HydrophobicContact CB-CD1 4.29Å; M56-L75 HydrophobicContact CB-CD2 3.84Å; M56-L75 HydrophobicContact CE-CD2 4.03Å; M56-L75 HydrophobicContact SD-CD2 3.92Å
57E86.5Confident84.6Confident71 Ų7165.5 Ų65.533%0.33236%0.356SS..Hα-helixtrans-70-38.1175.6-73.4-167.5155.700113.3L53 Q54 G55 L60 R61 L75 R79L53-E57 PolarHBondContact O-N 2.95Å; L53-E57 VanDerWaalsContact O-N 3.15Å; Q54-E57 WeakPolarHBondContact O-CB 3.39Å; Q54-E57 PolarHBondContact O-N 2.91Å; G55-E57 VanDerWaalsContact C-N 3.33Å; G55-E57 PolarHBondContact O-N 3.42Å; E57-L60 PolarHBondContact O-N 3.38Å; E57-R61 PolarHBondContact O-N 3.18Å; E57-L75 HydrophobicContact CG-CD1 3.47Å; E57-L75 VanDerWaalsContact CG-CD1 3.47Å; E57-R79 IonicContact OE1-CZ 2.64Å; E57-R79 IonicContact OE1-NH1 3.85Å; E57-R79 PolarHBondContact OE1-NH1 2.89Å; E57-R79 IonicContact OE1-NH2 3.69Å; E57-R79 PolarHBondContact OE1-NH2 3.32Å; E57-R79 IonicContact OE2-CZ 3.34Å; E57-R79 IonicContact OE2-NH1 3.47Å; E57-R79 IonicContact OE2-NH2 3.25Å; E57-R79 PolarHBondContact OE2-NH2 3.47Å
58E87.7Confident84.5Confident107 Ų10768.6 Ų68.650%0.536%0.356SS..Hα-helixtrans-64.4-44.3176.2-71.6176.6-168.200110.6Q54 G55 L60 R61Q54-E58 PolarHBondContact NE2-OE1 3.25Å; Q54-E58 VanDerWaalsContact NE2-OE1 3.16Å; Q54-E58 PolarHBondContact O-N 2.64Å; G55-E58 PolarHBondContact O-N 3.47Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 3.04Å; E58-R61 WeakPolarHBondContact O-CB 3.48Å; E58-R61 PolarHBondContact O-N 2.96Å; E58-R61 VanDerWaalsContact O-N 3.13Å
59E85.4Confident84.1Confident43 Ų4369.7 Ų69.720%0.20137%0.365CS..Hα-helixtrans-65.2-34.7176.3-167.652.7-136.200112S2 L6 L9 G55 R61 G62S2-E59 WeakPolarHBondContact CA-OE1 3.45Å; S2-E59 WeakPolarHBondContact CB-OE1 3.46Å; S2-E59 PolarHBondContact OG-OE1 2.89Å; L6-E59 HydrophobicContact CB-CG 4.03Å; L6-E59 HydrophobicContact CD1-CB 4.23Å; L6-E59 HydrophobicContact CD1-CG 4.12Å; L9-E59 HydrophobicContact CD1-CB 4.33Å; G55-E59 WeakPolarHBondContact O-CB 3.4Å; G55-E59 PolarHBondContact O-N 3.26Å; E59-R61 PolarHBondContact O-N 3.31Å; E59-G62 PolarHBondContact O-N 2.99Å; E59-G62 VanDerWaalsContact O-N 3.07Å
60L83.3Confident83.8Confident4 Ų472.5 Ų72.52%0.02139%0.388CS..Hα-helixtrans-66.2-17.6175.3-78.9175.3000114.5L6 M56 E57 E58 G62 A63 Y67 R68 M71 L75L6-L60 HydrophobicContact CD1-CD2 3.71Å; L6-L60 HydrophobicContact CD1-CG 3.82Å; M56-L60 WeakPolarHBondContact O-CB 3.3Å; M56-L60 WeakPolarHBondContact O-CG 3.36Å; M56-L60 PolarHBondContact O-N 2.9Å; E57-L60 PolarHBondContact O-N 3.38Å; E58-L60 VanDerWaalsContact C-N 3.3Å; E58-L60 PolarHBondContact O-N 3.04Å; L60-G62 PolarHBondContact O-N 3.02Å; L60-A63 HydrophobicContact CD2-CB 4.31Å; L60-A63 PolarHBondContact O-N 2.97Å; L60-Y67 HydrophobicContact CD2-CD1 3.99Å; L60-Y67 HydrophobicContact CD2-CE1 3.99Å; L60-R68 HydrophobicContact CB-CG 4.39Å; L60-R68 WeakPolarHBondContact O-CD 3.44Å; L60-M71 HydrophobicContact CD1-CB 3.71Å; L60-M71 HydrophobicContact CD1-CG 3.6Å; L60-M71 HydrophobicContact CD2-CB 3.59Å; L60-M71 HydrophobicContact CD2-CG 3.76Å; L60-M71 HydrophobicContact CG-CB 4.27Å; L60-M71 HydrophobicContact CG-CG 4.14Å; L60-L75 HydrophobicContact CD1-CD1 3.37Å; L60-L75 HydrophobicContact CD1-CG 4.41Å
61R80.2Confident83.5Confident202 Ų20268 Ų6876%0.76237%0.367SS*.THydrogen-bonded Turntrans-66.3-28.7171.8-73-179.6152144.3-3.4112E57 E58 E59E57-R61 PolarHBondContact O-N 3.18Å; E58-R61 WeakPolarHBondContact O-CB 3.48Å; E58-R61 PolarHBondContact O-N 2.96Å; E58-R61 VanDerWaalsContact O-N 3.13Å; E59-R61 PolarHBondContact O-N 3.31Å
62G76.6Confident83.3Confident63 Ų6363.5 Ų63.565%0.64935%0.351SS*.THydrogen-bonded Turntrans-81.9-11.7176.800000114.8E59 L60E59-G62 PolarHBondContact O-N 2.99Å; E59-G62 VanDerWaalsContact O-N 3.07Å; L60-G62 PolarHBondContact O-N 3.02Å
63A78.3Confident83.1Confident14 Ų1465 Ų6512%0.11637%0.366CS..SBendtrans-90.4157.5-172.200000114.2L60 Y67L60-A63 HydrophobicContact CD2-CB 4.31Å; L60-A63 PolarHBondContact O-N 2.97Å; A63-Y67 HydrophobicContact CB-CD1 4.09Å
64P81Confident83Confident90 Ų9070 Ų7058%0.58439%0.387SS*.  trans-58.3147.4174.2-23.133.3000113.4S66 Y67 R68P64-S66 VanDerWaalsContact C-N 3.33Å; P64-S66 PolarHBondContact O-N 2.93Å; P64-Y67 PolarHBondContact O-N 3.32Å; P64-Y67 VanDerWaalsContact O-N 3.12Å; P64-R68 PolarHBondContact O-N 2.92Å
65S76Confident82.9Confident75 Ų7564.9 Ų64.952%0.52436%0.364SS..Hα-helixtrans-58.2-36.6-172.955.20000114.9N69S65-N69 PolarHBondContact O-N 3.43Å; S65-N69 VanDerWaalsContact O-N 3.07Å; S65-N69 PolarHBondContact O-ND2 3.42Å; S65-N69 PolarHBondContact O-OD1 3.09Å
66S77.6Confident83Confident93 Ų9372.2 Ų72.265%0.6539%0.385SS*.Hα-helixtrans-65.8-41.9177.552.20000112.5P64P64-S66 VanDerWaalsContact C-N 3.33Å; P64-S66 PolarHBondContact O-N 2.93Å
67Y79Confident83.2Confident105 Ų10576 Ų7641%0.41241%0.405SS..Hα-helixtrans-71.4-41.4176.9-172.3-98.7000111.3L6 L60 A63 P64 N69 A70 M71L6-Y67 HydrophobicContact CD1-CE1 4.48Å; L6-Y67 HydrophobicContact CD2-CE1 3.65Å; L6-Y67 WeakPolarHBondContact CD2-OH 3.24Å; L60-Y67 HydrophobicContact CD2-CD1 3.99Å; L60-Y67 HydrophobicContact CD2-CE1 3.99Å; A63-Y67 HydrophobicContact CB-CD1 4.09Å; P64-Y67 PolarHBondContact O-N 3.32Å; P64-Y67 VanDerWaalsContact O-N 3.12Å; Y67-N69 PolarHBondContact O-N 3.18Å; Y67-A70 PolarHBondContact O-N 2.63Å; Y67-M71 HydrophobicContact CE1-CB 4.42Å; Y67-M71 WeakPolarHBondContact O-CB 3.37Å; Y67-M71 PolarHBondContact O-N 2.98Å
68R83.7Confident83.3Confident101 Ų10175 Ų7538%0.38140%0.398SS..Hα-helixtrans-57-49.8176.8-172.717667.7-155.23.3112.3L60 P64 A70 M71 S72L60-R68 HydrophobicContact CB-CG 4.39Å; L60-R68 WeakPolarHBondContact O-CD 3.44Å; P64-R68 PolarHBondContact O-N 2.92Å; R68-A70 VanDerWaalsContact C-N 3.35Å; R68-A70 PolarHBondContact O-N 2.9Å; R68-M71 PolarHBondContact O-N 3.16Å; R68-S72 WeakPolarHBondContact O-CB 3.34Å; R68-S72 PolarHBondContact O-N 2.93Å; R68-S72 PolarHBondContact O-OG 3.41Å
69N81.7Confident83.3Confident107 Ų10774.9 Ų74.957%0.57239%0.394SS*.Hα-helixtrans-61.6-42.6-178.8-67.4-9.1000112.2S65 Y67 A73S65-N69 PolarHBondContact O-N 3.43Å; S65-N69 VanDerWaalsContact O-N 3.07Å; S65-N69 PolarHBondContact O-ND2 3.42Å; S65-N69 PolarHBondContact O-OD1 3.09Å; Y67-N69 PolarHBondContact O-N 3.18Å; N69-A73 PolarHBondContact O-N 3.01Å
70A82.1Confident83.5Confident60 Ų6080.1 Ų80.150%0.49641%0.411SS..Hα-helixtrans-65.7-39.717700000112.1Y67 R68 K74Y67-A70 PolarHBondContact O-N 2.63Å; R68-A70 VanDerWaalsContact C-N 3.35Å; R68-A70 PolarHBondContact O-N 2.9Å; A70-K74 PolarHBondContact O-N 2.72Å
71M83.1Confident83.8Confident5 Ų582 Ų823%0.02542%0.422CS..Hα-helixtrans-77.3-37.5-178.9-161.568.7173.600112.7L6 H10 M56 L60 Y67 R68 A73 K74 L75L6-M71 HydrophobicContact CD2-CE 4.04Å; H10-M71 WeakPolarHBondContact ND1-CE 3.22Å; M56-M71 HydrophobicContact CE-CE 3.28Å; L60-M71 HydrophobicContact CD1-CB 3.71Å; L60-M71 HydrophobicContact CD1-CG 3.6Å; L60-M71 HydrophobicContact CD2-CB 3.59Å; L60-M71 HydrophobicContact CD2-CG 3.76Å; L60-M71 HydrophobicContact CG-CB 4.27Å; L60-M71 HydrophobicContact CG-CG 4.14Å; Y67-M71 HydrophobicContact CE1-CB 4.42Å; Y67-M71 WeakPolarHBondContact O-CB 3.37Å; Y67-M71 PolarHBondContact O-N 2.98Å; R68-M71 PolarHBondContact O-N 3.16Å; M71-A73 PolarHBondContact O-N 3.29Å; M71-K74 WeakPolarHBondContact O-CA 3.41Å; M71-K74 WeakPolarHBondContact O-CB 3.48Å; M71-K74 PolarHBondContact O-N 2.88Å; M71-K74 HydrophobicContact SD-CB 4.47Å; M71-K74 HydrophobicContact SD-CD 3.95Å; M71-L75 WeakPolarHBondContact O-CG 3.47Å; M71-L75 PolarHBondContact O-N 3.26Å
72S85Confident84.2Confident44 Ų4472.6 Ų72.631%0.30839%0.386SS..Hα-helixtrans-59.4-36.3172.7-64.90000111.9R68 L75 R76R68-S72 WeakPolarHBondContact O-CB 3.34Å; R68-S72 PolarHBondContact O-N 2.93Å; R68-S72 PolarHBondContact O-OG 3.41Å; S72-L75 PolarHBondContact O-N 3.47Å; S72-R76 WeakPolarHBondContact O-CG 3.46Å; S72-R76 PolarHBondContact O-N 3.16Å
73A86.8Confident84.6Confident53 Ų5370.8 Ų70.844%0.43837%0.368SS..Hα-helixtrans-62.5-41.5171.800000112.1N69 M71 R76 L77N69-A73 PolarHBondContact O-N 3.01Å; M71-A73 PolarHBondContact O-N 3.29Å; A73-R76 PolarHBondContact O-N 3.26Å; A73-L77 WeakPolarHBondContact O-CG 3.4Å; A73-L77 PolarHBondContact O-N 2.84Å
74K86.4Confident85.2Confident105 Ų10575.7 Ų75.746%0.45739%0.387SS..Hα-helixtrans-65.4-41.5175-69.1-178.9179.5179.80112.5A70 M71 R76 L77 Y78A70-K74 PolarHBondContact O-N 2.72Å; M71-K74 WeakPolarHBondContact O-CA 3.41Å; M71-K74 WeakPolarHBondContact O-CB 3.48Å; M71-K74 PolarHBondContact O-N 2.88Å; M71-K74 HydrophobicContact SD-CB 4.47Å; M71-K74 HydrophobicContact SD-CD 3.95Å; K74-R76 VanDerWaalsContact C-N 3.33Å; K74-R76 PolarHBondContact O-N 3.38Å; K74-L77 WeakPolarHBondContact O-CB 3.46Å; K74-L77 PolarHBondContact O-N 2.76Å; K74-L77 VanDerWaalsContact O-N 3.09Å; K74-Y78 HydrophobicContact CB-CE2 4.39Å; K74-Y78 PolarHBondContact O-N 3.49Å
75L88.8Confident85.4Confident1 Ų172 Ų721%0.00536%0.362CS..Hα-helixtrans-63.4-37.3177.5-67.6176.2000112.5L53 M56 E57 L60 M71 S72 L77 Y78 R79L53-L75 HydrophobicContact CD2-CD2 3.52Å; M56-L75 HydrophobicContact CB-CD1 4.29Å; M56-L75 HydrophobicContact CB-CD2 3.84Å; M56-L75 HydrophobicContact CE-CD2 4.03Å; M56-L75 HydrophobicContact SD-CD2 3.92Å; E57-L75 HydrophobicContact CG-CD1 3.47Å; E57-L75 VanDerWaalsContact CG-CD1 3.47Å; L60-L75 HydrophobicContact CD1-CD1 3.37Å; L60-L75 HydrophobicContact CD1-CG 4.41Å; M71-L75 WeakPolarHBondContact O-CG 3.47Å; M71-L75 PolarHBondContact O-N 3.26Å; S72-L75 PolarHBondContact O-N 3.47Å; L75-L77 VanDerWaalsContact C-N 3.32Å; L75-L77 PolarHBondContact O-N 3.29Å; L75-Y78 HydrophobicContact CD2-CD2 4.23Å; L75-Y78 PolarHBondContact O-N 3.46Å; L75-R79 PolarHBondContact O-N 2.77Å
76R88.4Confident86Confident173 Ų17371.1 Ų71.165%0.65335%0.35SS*.Hα-helixtrans-60.5-40.9171.4-73175.271.2-1783.7111.9S72 A73 K74 R80S72-R76 WeakPolarHBondContact O-CG 3.46Å; S72-R76 PolarHBondContact O-N 3.16Å; A73-R76 PolarHBondContact O-N 3.26Å; K74-R76 VanDerWaalsContact C-N 3.33Å; K74-R76 PolarHBondContact O-N 3.38Å; R76-R80 PolarHBondContact O-N 2.94Å; R76-R80 VanDerWaalsContact O-N 3.15Å
77L89.3Confident86.3Confident79 Ų7974.1 Ų74.141%0.41435%0.347SS..Hα-helixtrans-65.3-45.1176.1-65.5170000111.4A73 K74 L75 R79 R80 D81A73-L77 WeakPolarHBondContact O-CG 3.4Å; A73-L77 PolarHBondContact O-N 2.84Å; K74-L77 WeakPolarHBondContact O-CB 3.46Å; K74-L77 PolarHBondContact O-N 2.76Å; K74-L77 VanDerWaalsContact O-N 3.09Å; L75-L77 VanDerWaalsContact C-N 3.32Å; L75-L77 PolarHBondContact O-N 3.29Å; L77-R79 PolarHBondContact O-N 2.91Å; L77-R80 WeakPolarHBondContact O-CB 3.24Å; L77-R80 PolarHBondContact O-N 3.03Å; L77-R80 VanDerWaalsContact O-N 3.16Å; L77-D81 VanDerWaalsContact O-CG 3.26Å; L77-D81 PolarHBondContact O-N 3.41Å
78Y89.1Confident86.6Confident50 Ų5072.5 Ų72.520%0.19635%0.345CS..Hα-helixtrans-59.4-45.5177.5-69.3-19000113.2H10 Y13 L53 K74 L75 R80 D81 L82H10-Y78 AromaticContact CE1-CE2 3.91Å; H10-Y78 AromaticContact CE1-CZ 3.91Å; H10-Y78 PolarHBondContact CE1-OH 2.83Å; H10-Y78 PolarHBondContact NE2-OH 3.35Å; Y13-Y78 AromaticContact CD1-CD2 3.93Å; Y13-Y78 HydrophobicContact CD1-CD2 3.93Å; Y13-Y78 HydrophobicContact CD1-CE2 4.08Å; Y13-Y78 HydrophobicContact CD1-CG 4.22Å; Y13-Y78 AromaticContact CE1-CD1 3.64Å; Y13-Y78 HydrophobicContact CE1-CD1 3.64Å; Y13-Y78 AromaticContact CE1-CD2 3.61Å; Y13-Y78 HydrophobicContact CE1-CD2 3.61Å; Y13-Y78 HydrophobicContact CE1-CE1 4.05Å; Y13-Y78 HydrophobicContact CE1-CE2 4.04Å; Y13-Y78 AromaticContact CE1-CG 3.42Å; Y13-Y78 HydrophobicContact CE1-CG 3.42Å; Y13-Y78 VanDerWaalsContact CE1-CG 3.42Å; Y13-Y78 AromaticContact CZ-CG 3.71Å; Y13-Y78 VanDerWaalsContact OH-CB 3.28Å; Y13-Y78 WeakPolarHBondContact OH-CB 3.44Å; Y13-Y78 PolarHBondContact OH-O 2.88Å; L53-Y78 HydrophobicContact CD2-CD2 3.89Å; L53-Y78 HydrophobicContact CD2-CG 4.32Å; K74-Y78 HydrophobicContact CB-CE2 4.39Å; K74-Y78 PolarHBondContact O-N 3.49Å; L75-Y78 HydrophobicContact CD2-CD2 4.23Å; L75-Y78 PolarHBondContact O-N 3.46Å; Y78-R80 VanDerWaalsContact C-N 3.32Å; Y78-R80 PolarHBondContact O-N 3.27Å; Y78-D81 PolarHBondContact O-N 3.45Å; Y78-L82 PolarHBondContact O-N 2.62Å
79R88.5Confident86.4Confident106 Ų10667.9 Ų67.940%0.433%0.328SS..Hα-helixtrans-60-41.7173.4-74.3-166.1-179.5111.4-4.5113L53 E57 L75 L77 D81 L82 G83L53-R79 HydrophobicContact CD1-CG 3.91Å; E57-R79 IonicContact OE1-CZ 2.64Å; E57-R79 IonicContact OE1-NH1 3.85Å; E57-R79 PolarHBondContact OE1-NH1 2.89Å; E57-R79 IonicContact OE1-NH2 3.69Å; E57-R79 PolarHBondContact OE1-NH2 3.32Å; E57-R79 IonicContact OE2-CZ 3.34Å; E57-R79 IonicContact OE2-NH1 3.47Å; E57-R79 IonicContact OE2-NH2 3.25Å; E57-R79 PolarHBondContact OE2-NH2 3.47Å; L75-R79 PolarHBondContact O-N 2.77Å; L77-R79 PolarHBondContact O-N 2.91Å; R79-D81 VanDerWaalsContact C-N 3.31Å; R79-D81 PolarHBondContact O-N 2.96Å; R79-L82 PolarHBondContact O-N 2.92Å; R79-G83 PolarHBondContact O-N 3.29Å
80R89.7Confident86.4Confident152 Ų15268.3 Ų68.357%0.57433%0.325SS*.Hα-helixtrans-62.7-41.4177.4-175.1-17066.9-176-1111.2R76 L77 Y78 G83 K84R76-R80 PolarHBondContact O-N 2.94Å; R76-R80 VanDerWaalsContact O-N 3.15Å; L77-R80 WeakPolarHBondContact O-CB 3.24Å; L77-R80 PolarHBondContact O-N 3.03Å; L77-R80 VanDerWaalsContact O-N 3.16Å; Y78-R80 VanDerWaalsContact C-N 3.32Å; Y78-R80 PolarHBondContact O-N 3.27Å; R80-G83 PolarHBondContact O-N 2.95Å; R80-K84 PolarHBondContact O-N 3.23Å
81D88.4Confident86.3Confident45 Ų4570.7 Ų70.724%0.24133%0.333CS..Hα-helixtrans-70.6-40.4-178.8-65.7-10.8000111.2Y17 L77 Y78 R79 G83 K84 L85Y17-D81 HydrophobicContact CE2-CB 3.92Å; L77-D81 VanDerWaalsContact O-CG 3.26Å; L77-D81 PolarHBondContact O-N 3.41Å; Y78-D81 PolarHBondContact O-N 3.45Å; R79-D81 VanDerWaalsContact C-N 3.31Å; R79-D81 PolarHBondContact O-N 2.96Å; D81-G83 PolarHBondContact O-N 3.46Å; D81-K84 WeakPolarHBondContact O-CB 3.46Å; D81-K84 PolarHBondContact O-N 3.48Å; D81-K84 VanDerWaalsContact O-N 3.13Å; D81-L85 PolarHBondContact O-N 3.15Å
82L88.1Confident85.8Confident3 Ų370.8 Ų70.82%0.01634%0.335CS..Hα-helixtrans-58-45.7168.6-79.8176000112.1Y13 L20 A49 E50 L53 Y78 R79 K84 L85 Q86Y13-L82 HydrophobicContact CE2-CD1 4.09Å; Y13-L82 HydrophobicContact CE2-CG 4.47Å; L20-L82 HydrophobicContact CD2-CD2 4.01Å; A49-L82 HydrophobicContact CB-CD1 4.09Å; A49-L82 HydrophobicContact CB-CD2 3.99Å; E50-L82 HydrophobicContact CG-CD1 4.3Å; L53-L82 HydrophobicContact CD1-CD1 3.47Å; L53-L82 VanDerWaalsContact CD1-CD1 3.47Å; Y78-L82 PolarHBondContact O-N 2.62Å; R79-L82 PolarHBondContact O-N 2.92Å; L82-K84 PolarHBondContact O-N 2.93Å; L82-L85 WeakPolarHBondContact O-CB 3.39Å; L82-L85 PolarHBondContact O-N 3.49Å; L82-Q86 PolarHBondContact O-N 2.92Å
83G86.4Confident84.7Confident26 Ų2669 Ų6927%0.26832%0.323SS..Hα-helixtrans-65.1-24.2176.300000113.6R79 R80 D81 R87R79-G83 PolarHBondContact O-N 3.29Å; R80-G83 PolarHBondContact O-N 2.95Å; D81-G83 PolarHBondContact O-N 3.46Å; G83-R87 WeakPolarHBondContact O-CG 3.16Å; G83-R87 PolarHBondContact O-N 3.25Å; G83-R87 PolarHBondContact O-NE 3.37Å
84K89.6Confident83.4Confident117 Ų11771.3 Ų71.351%0.50933%0.333SS..Hα-helixtrans-73.2-49.8170-171.1-172.8173.1-168.40110.7R80 D81 L82 Q86 R87 D88R80-K84 PolarHBondContact O-N 3.23Å; D81-K84 WeakPolarHBondContact O-CB 3.46Å; D81-K84 PolarHBondContact O-N 3.48Å; D81-K84 VanDerWaalsContact O-N 3.13Å; L82-K84 PolarHBondContact O-N 2.93Å; K84-Q86 VanDerWaalsContact C-N 3.26Å; K84-Q86 PolarHBondContact O-N 3.16Å; K84-R87 WeakPolarHBondContact O-CB 3.42Å; K84-R87 PolarHBondContact O-N 3.09Å; K84-D88 PolarHBondContact O-N 3.46Å
85L86.1Confident82Confident13 Ų1369.4 Ų69.47%0.06834%0.343CS..Hα-helixtrans-55.3-41.3176.3-79.2151.5000112.2Y17 K21 P24 F42 D81 L82 R87 D88 M89Y17-L85 HydrophobicContact CD2-CD1 3.95Å; Y17-L85 HydrophobicContact CE2-CD1 3.35Å; K21-L85 HydrophobicContact CB-CD2 4.33Å; P24-L85 HydrophobicContact CG-CD2 4.3Å; F42-L85 HydrophobicContact CE2-CB 4.38Å; F42-L85 HydrophobicContact CZ-CB 4.07Å; D81-L85 PolarHBondContact O-N 3.15Å; L82-L85 WeakPolarHBondContact O-CB 3.39Å; L82-L85 PolarHBondContact O-N 3.49Å; L85-R87 PolarHBondContact O-N 3.48Å; L85-D88 PolarHBondContact O-N 3.41Å; L85-M89 WeakPolarHBondContact O-CB 3.35Å; L85-M89 PolarHBondContact O-N 2.9Å
86Q87.1Confident80.6Confident56 Ų5673.4 Ų73.426%0.26236%0.361SS..Hα-helixtrans-63.4-40.3176.5-171-173.453.800112.4F42 Q46 L82 K84 M89 K90F42-Q86 HydrophobicContact CE1-CB 4.35Å; F42-Q86 HydrophobicContact CE1-CG 4.47Å; Q46-Q86 VanDerWaalsContact NE2-NE2 3.19Å; Q46-Q86 VanDerWaalsContact OE1-CG 3.26Å; L82-Q86 PolarHBondContact O-N 2.92Å; K84-Q86 VanDerWaalsContact C-N 3.26Å; K84-Q86 PolarHBondContact O-N 3.16Å; Q86-M89 PolarHBondContact O-N 3.18Å; Q86-K90 HydrophobicContact CG-CD 4.35Å; Q86-K90 WeakPolarHBondContact O-CB 3.46Å; Q86-K90 VanDerWaalsContact O-CG 3.3Å; Q86-K90 WeakPolarHBondContact O-CG 3.36Å; Q86-K90 PolarHBondContact O-N 3.28Å
87R84.3Confident78.6Confident155 Ų15569.7 Ų69.759%0.58536%0.361SS*.Hα-helixtrans-67.9-39.8175.5-75.4-177.8-70.8166.9-1.8111.6G83 K84 L85 M89 K90 T91G83-R87 WeakPolarHBondContact O-CG 3.16Å; G83-R87 PolarHBondContact O-N 3.25Å; G83-R87 PolarHBondContact O-NE 3.37Å; K84-R87 WeakPolarHBondContact O-CB 3.42Å; K84-R87 PolarHBondContact O-N 3.09Å; L85-R87 PolarHBondContact O-N 3.48Å; R87-M89 VanDerWaalsContact C-N 3.31Å; R87-M89 PolarHBondContact O-N 2.97Å; R87-K90 PolarHBondContact O-N 3.21Å; R87-T91 WeakPolarHBondContact O-CB 3.4Å; R87-T91 PolarHBondContact O-N 2.99Å; R87-T91 PolarHBondContact O-OG1 3.49Å
88D84.9Confident76.6Confident71 Ų7170.3 Ų70.338%0.3837%0.372SS..Hα-helixtrans-62.4-41.9176.3-65.9-14.6000110.1K84 L85 T91 A92K84-D88 PolarHBondContact O-N 3.46Å; L85-D88 PolarHBondContact O-N 3.41Å; D88-T91 PolarHBondContact O-N 2.94Å; D88-A92 VanDerWaalsContact O-CB 3.24Å; D88-A92 WeakPolarHBondContact O-CB 3.33Å; D88-A92 PolarHBondContact O-N 3.4Å
89M81.1Confident74.5Confident5 Ų573.5 Ų73.53%0.02540%0.402CS..Hα-helixtrans-65.9-42.3175.1-168.359.7-177.900113I23 P24 A27 V39 F42 L85 Q86 R87 T91 A92 A93I23-M89 HydrophobicContact CG2-CE 4.16Å; I23-M89 HydrophobicContact CG2-SD 4.38Å; P24-M89 HydrophobicContact CB-SD 4.42Å; P24-M89 HydrophobicContact CG-CB 4.44Å; P24-M89 HydrophobicContact CG-SD 4.33Å; A27-M89 HydrophobicContact CB-CE 3.72Å; A27-M89 HydrophobicContact CB-SD 3.87Å; V39-M89 VanDerWaalsContact CA-CE 3.41Å; V39-M89 HydrophobicContact CB-CE 3.93Å; V39-M89 HydrophobicContact CG2-CE 3.38Å; F42-M89 HydrophobicContact CB-CE 4.19Å; F42-M89 HydrophobicContact CB-CG 4.25Å; F42-M89 HydrophobicContact CD1-CB 3.94Å; F42-M89 HydrophobicContact CD1-CG 3.66Å; F42-M89 HydrophobicContact CD2-CB 4.37Å; F42-M89 HydrophobicContact CD2-CG 4.14Å; F42-M89 HydrophobicContact CD2-SD 4.44Å; F42-M89 HydrophobicContact CE1-CB 3.73Å; F42-M89 HydrophobicContact CE1-CG 4.01Å; F42-M89 HydrophobicContact CE2-CB 4.16Å; F42-M89 HydrophobicContact CE2-CG 4.44Å; F42-M89 HydrophobicContact CG-CB 4.26Å; F42-M89 HydrophobicContact CG-CG 3.74Å; F42-M89 HydrophobicContact CG-SD 4.36Å; F42-M89 HydrophobicContact CZ-CB 3.84Å; F42-M89 HydrophobicContact CZ-CG 4.38Å; L85-M89 WeakPolarHBondContact O-CB 3.35Å; L85-M89 PolarHBondContact O-N 2.9Å; Q86-M89 PolarHBondContact O-N 3.18Å; R87-M89 VanDerWaalsContact C-N 3.31Å; R87-M89 PolarHBondContact O-N 2.97Å; M89-T91 VanDerWaalsContact C-N 3.32Å; M89-T91 PolarHBondContact O-N 3.13Å; M89-A92 CarbonylContact O-C 3.28Å; M89-A92 PolarHBondContact O-N 3.35Å; M89-A93 PolarHBondContact O-N 3.4Å
90K81.5Confident72.5Confident116 Ų11673.6 Ų73.650%0.50442%0.419SS..Hα-helixtrans-62.2-39.2174.6-74.7170.5-179.4171.70111.9Q86 R87 A93Q86-K90 HydrophobicContact CG-CD 4.35Å; Q86-K90 WeakPolarHBondContact O-CB 3.46Å; Q86-K90 VanDerWaalsContact O-CG 3.3Å; Q86-K90 WeakPolarHBondContact O-CG 3.36Å; Q86-K90 PolarHBondContact O-N 3.28Å; R87-K90 PolarHBondContact O-N 3.21Å; K90-A93 CarbonylContact O-C 3.4Å; K90-A93 VanDerWaalsContact O-C 3.28Å; K90-A93 PolarHBondContact O-N 2.9Å
91T80.5Confident70.2Confident109 Ų10974.2 Ų74.267%0.66943%0.428SS*.Hα-helixtrans-68.9-38.4175.6-53.20000111.1R87 D88 M89 A93 P94R87-T91 WeakPolarHBondContact O-CB 3.4Å; R87-T91 PolarHBondContact O-N 2.99Å; R87-T91 PolarHBondContact O-OG1 3.49Å; D88-T91 PolarHBondContact O-N 2.94Å; M89-T91 VanDerWaalsContact C-N 3.32Å; M89-T91 PolarHBondContact O-N 3.13Å; T91-A93 PolarHBondContact O-N 3.49Å; T91-P94 WeakPolarHBondContact O-CD 3.47Å
92A70.6Confident68.3Low7 Ų778.6 Ų78.66%0.05846%0.457CS..THydrogen-bonded Turntrans-76.2-2.9174.500000113.4L28 R35 D88 M89L28-A92 HydrophobicContact CD2-CB 4.16Å; L28-A92 HydrophobicContact CG-CB 4.09Å; R35-A92 PolarHBondContact NE-O 3.39Å; R35-A92 VanDerWaalsContact NH2-C 3.34Å; R35-A92 PolarHBondContact NH2-O 3.26Å; D88-A92 VanDerWaalsContact O-CB 3.24Å; D88-A92 WeakPolarHBondContact O-CB 3.33Å; D88-A92 PolarHBondContact O-N 3.4Å; M89-A92 CarbonylContact O-C 3.28Å; M89-A92 PolarHBondContact O-N 3.35Å
93A63.7Low66Low7 Ų784.3 Ų84.36%0.05849%0.491CS..  trans-15059.9177.600000113.8V39 M89 K90 T91 G95 F96V39-A93 HydrophobicContact CG2-CB 3.68Å; M89-A93 PolarHBondContact O-N 3.4Å; K90-A93 CarbonylContact O-C 3.4Å; K90-A93 VanDerWaalsContact O-C 3.28Å; K90-A93 PolarHBondContact O-N 2.9Å; T91-A93 PolarHBondContact O-N 3.49Å; A93-G95 PolarHBondContact O-N 3.06Å; A93-F96 PolarHBondContact O-N 3.33Å
94P58.7Low64.1Low102 Ų10291.8 Ų91.866%0.66252%0.52SS*.THydrogen-bonded Turntrans-72.9102.7-179.830.4-29.5000108.8T91T91-P94 WeakPolarHBondContact O-CD 3.47Å
95G57.2Low61.9Low64 Ų6497.4 Ų97.466%0.6654%0.537SS*.THydrogen-bonded Turntrans132.6-9.2178.600000115.5A93A93-G95 PolarHBondContact O-N 3.06Å
96F58.2Low59.8Low85 Ų85101.2 Ų101.237%0.37357%0.565SS.*  trans-102.70.6175.7-84.9-75.9000114.4K36 V39 A93 S98K36-F96 HydrophobicContact CB-CD1 4.01Å; K36-F96 HydrophobicContact CB-CE1 3.7Å; K36-F96 HydrophobicContact CB-CZ 4.11Å; K36-F96 HydrophobicContact CD-CD1 4.11Å; K36-F96 HydrophobicContact CD-CE1 3.61Å; K36-F96 HydrophobicContact CG-CD1 3.66Å; K36-F96 HydrophobicContact CG-CE1 3.56Å; K36-F96 HydrophobicContact CG-CZ 4.44Å; V39-F96 HydrophobicContact CG2-CB 4.35Å; A93-F96 PolarHBondContact O-N 3.33Å; F96-S98 PolarHBondContact O-N 3Å; F96-S98 VanDerWaalsContact O-N 3.09Å
97S48Very low58.1Low95 Ų95107.5 Ų107.566%0.66459%0.594SS**SBendtrans-60.1112.6171430000110.2S99S97-S99 PolarHBondContact O-N 2.79Å
98S47.7Very low56.4Low93 Ų93105.8 Ų105.865%0.6560%0.603SS**  trans-19.396.2175.1-57.80000115.1F96 S100F96-S98 PolarHBondContact O-N 3Å; F96-S98 VanDerWaalsContact O-N 3.09Å; S98-S100 PolarHBondContact O-N 3.43Å
99S44.1Very low54.4Low116 Ų116107.5 Ų107.581%0.81162%0.621SS**  trans-72.781.7156.4-171.50000108.1S97S97-S99 PolarHBondContact O-N 2.79Å
100S46.3Very low52.6Low109 Ų109115 Ų11576%0.76266%0.659SS**  trans-104.334.3162.651.60000110.5S98S98-S100 PolarHBondContact O-N 3.43Å
101Q40.8Very low50.9Low164 Ų164119.6 Ų119.677%0.76668%0.675SS**  trans-119.792.5165.9-136.9173.542.600109.4V103Q101-V103 PolarHBondContact O-N 2.99Å; Q101-V103 VanDerWaalsContact O-N 3.13Å
102T49Very low49Very low137 Ų137119.8 Ų119.884%0.8468%0.681SS**  trans-40.9108.7161.743.90000111.7
103V40.3Very low47.7Very low123 Ų123125.1 Ų125.175%0.74572%0.717SS**  trans-125.494.3153.4-178.50000106.9Q101 R105Q101-V103 PolarHBondContact O-N 2.99Å; Q101-V103 VanDerWaalsContact O-N 3.13Å; V103-R105 VanDerWaalsContact C-N 3.29Å; V103-R105 PolarHBondContact O-N 3.43Å
104Q46.7Very low46.8Very low184 Ų184133.5 Ų133.586%0.8676%0.755SS**  trans-58.690.7168.4-171.7164.319.300108.5S106Q104-S106 VanDerWaalsContact C-N 3.32Å; Q104-S106 PolarHBondContact O-N 2.79Å; Q104-S106 VanDerWaalsContact O-N 3.1Å
105R43.3Very low46.3Very low234 Ų234132.7 Ų132.788%0.88375%0.746SS**  trans-83.387.3173.1-152.5169.9-167158.42.2108V103V103-R105 VanDerWaalsContact C-N 3.29Å; V103-R105 PolarHBondContact O-N 3.43Å
106S42.8Very low46Very low93 Ų93138.1 Ų138.165%0.6575%0.754SS**  trans-49.8129.516932.50000111.4Q104 P108Q104-S106 VanDerWaalsContact C-N 3.32Å; Q104-S106 PolarHBondContact O-N 2.79Å; Q104-S106 VanDerWaalsContact O-N 3.1Å; S106-P108 WeakPolarHBondContact O-CD 3.49Å
107H49.8Very low45.5Very low188 Ų188142.5 Ų142.587%0.8778%0.776SS**  trans-58133.7165.7-75.9-98.2000110.9
108P49.6Very low45.7Very low120 Ų120141.4 Ų141.478%0.77977%0.768SS**  trans-101.5105153.4219000108.4S106 I110S106-P108 WeakPolarHBondContact O-CD 3.49Å; P108-I110 PolarHBondContact O-N 3.45Å
109S42.1Very low46.1Very low106 Ų106140 Ų14074%0.74176%0.756SS**  trans-62.1127.8166.2-1570000108.9Y111S109-Y111 PolarHBondContact O-N 3.37Å
110I44.4Very low46.7Very low162 Ų162139.9 Ų139.983%0.83174%0.742SS**  trans-75.2102.9-175.6-62.5174.1000108.7P108P108-I110 PolarHBondContact O-N 3.45Å
111Y46.1Very low47.4Very low213 Ų213140.5 Ų140.584%0.83574%0.736SS**  trans-139.5146.7159.8-87.8-80.1000110.1S109S109-Y111 PolarHBondContact O-N 3.37Å
112S39.9Very low48.3Very low114 Ų114139.3 Ų139.380%0.79773%0.73SS**  trans93.277.9168.874.20000118.3Q114S112-Q114 VanDerWaalsContact C-N 3.27Å; S112-Q114 PolarHBondContact O-N 3.48Å; S112-Q114 VanDerWaalsContact O-N 3.09Å
113S42.9Very low48.9Very low118 Ų118135.5 Ų135.583%0.82571%0.71SS**  trans-71.468.4156.456.30000111.8
114Q44.3Very low50.1Low183 Ų183134.8 Ų134.886%0.85570%0.698SS**  trans-159.143.5172.2-155.6145.76800115.4S112S112-Q114 VanDerWaalsContact C-N 3.27Å; S112-Q114 PolarHBondContact O-N 3.48Å; S112-Q114 VanDerWaalsContact O-N 3.09Å
115N48Very low51.1Low86 Ų86135.1 Ų135.146%0.4669%0.691SS.*  trans-152.340.7176.4-151.810.7000114.9Q117 S118 T119N115-Q117 VanDerWaalsContact C-N 3.28Å; N115-Q117 PolarHBondContact O-N 2.94Å; N115-S118 VanDerWaalsContact OD1-CB 3.28Å; N115-S118 WeakPolarHBondContact OD1-CB 3.37Å; N115-S118 PolarHBondContact OD1-OG 3.29Å; N115-T119 HydrophobicContact CB-CG2 4.35Å; N115-T119 WeakPolarHBondContact O-CB 3.45Å; N115-T119 WeakPolarHBondContact O-CG2 3.38Å; N115-T119 PolarHBondContact O-N 3.23Å; N115-T119 PolarHBondContact O-OG1 3.11Å
116Q51Low52.4Low178 Ų178126.6 Ų126.683%0.83267%0.671SS**THydrogen-bonded Turntrans-69-15.8-170.1-69-1765.900115.5T119Q116-T119 PolarHBondContact O-OG1 3.26Å
117Q48.8Very low54Low177 Ų177128 Ų12883%0.82767%0.67SS**THydrogen-bonded Turntrans-102.3-32.6-173.6-156.3149.9-15.600113.6N115N115-Q117 VanDerWaalsContact C-N 3.28Å; N115-Q117 PolarHBondContact O-N 2.94Å
118S52.1Low55.3Low71 Ų71125 Ų12550%0.49766%0.66SS.*Hα-helixtrans-75.6-28.9173.7-38.20000112.1N115 H120 Q122N115-S118 VanDerWaalsContact OD1-CB 3.28Å; N115-S118 WeakPolarHBondContact OD1-CB 3.37Å; N115-S118 PolarHBondContact OD1-OG 3.29Å; S118-H120 VanDerWaalsContact C-N 3.32Å; S118-H120 PolarHBondContact O-N 3.43Å; S118-Q122 PolarHBondContact O-N 3.23Å
119T56.7Low56.7Low65 Ų65125 Ų12540%0.39965%0.653SS.*Hα-helixtrans-68.9-26.5178.848.90000113.3N115 Q116 S123N115-T119 HydrophobicContact CB-CG2 4.35Å; N115-T119 WeakPolarHBondContact O-CB 3.45Å; N115-T119 WeakPolarHBondContact O-CG2 3.38Å; N115-T119 PolarHBondContact O-N 3.23Å; N115-T119 PolarHBondContact O-OG1 3.11Å; Q116-T119 PolarHBondContact O-OG1 3.26Å; T119-S123 WeakPolarHBondContact O-CB 3.33Å; T119-S123 PolarHBondContact O-N 3.07Å; T119-S123 PolarHBondContact O-OG 3.5Å; T119-S123 VanDerWaalsContact O-OG 3.05Å
120H55.7Low58.3Low112 Ų112124.3 Ų124.352%0.51964%0.638SS.*Hα-helixtrans-73.7-37.2-176.8-169.2-85000113.4S118 S123 Q124S118-H120 VanDerWaalsContact C-N 3.32Å; S118-H120 PolarHBondContact O-N 3.43Å; H120-S123 WeakPolarHBondContact CA-OG 3.47Å; H120-S123 PolarHBondContact O-OG 3.41Å; H120-Q124 PolarHBondContact O-N 3.47Å
121L60.6Low60.1Low122 Ų122118.1 Ų118.164%0.63961%0.614SS**Hα-helixtrans-76-33.9174.5-70176.5000111.8R125L121-R125 PolarHBondContact O-N 2.94Å
122Q60.8Low61.9Low139 Ų139112.4 Ų112.465%0.6560%0.601SS**Hα-helixtrans-72.6-35.2176.7-151.8169.422.900111.6S118 R125 A126S118-Q122 PolarHBondContact O-N 3.23Å; Q122-R125 PolarHBondContact O-N 3.15Å; Q122-A126 WeakPolarHBondContact O-CB 3.39Å; Q122-A126 PolarHBondContact O-N 2.97Å
123S61.7Low63.9Low58 Ų58113.2 Ų113.241%0.40659%0.593SS.*Hα-helixtrans-68.3-39.8173.567.50000111.9T119 H120 A126 L127T119-S123 WeakPolarHBondContact O-CB 3.33Å; T119-S123 PolarHBondContact O-N 3.07Å; T119-S123 PolarHBondContact O-OG 3.5Å; T119-S123 VanDerWaalsContact O-OG 3.05Å; H120-S123 WeakPolarHBondContact CA-OG 3.47Å; H120-S123 PolarHBondContact O-OG 3.41Å; S123-A126 PolarHBondContact O-N 3.44Å; S123-L127 WeakPolarHBondContact O-CB 3.29Å; S123-L127 PolarHBondContact O-N 3.33Å
124Q63.9Low65.9Low107 Ų107114.6 Ų114.650%0.558%0.581SS.*Hα-helixtrans-61.8-43173.4-91.8-177.313.200112.8H120 L127 L128H120-Q124 PolarHBondContact O-N 3.47Å; Q124-L127 PolarHBondContact O-N 3Å; Q124-L128 WeakPolarHBondContact O-CG 3.49Å; Q124-L128 PolarHBondContact O-N 3.05Å
125R69.3Low68Low192 Ų192111.8 Ų111.873%0.72557%0.571SS**Hα-helixtrans-65.4-41.1174.1-89.5-175.3173.6155.2-1.1112.5L121 Q122 L127 L128 L129L121-R125 PolarHBondContact O-N 2.94Å; Q122-R125 PolarHBondContact O-N 3.15Å; R125-L127 VanDerWaalsContact C-N 3.28Å; R125-L127 PolarHBondContact O-N 3.4Å; R125-L128 PolarHBondContact O-N 3.45Å; R125-L129 WeakPolarHBondContact O-CB 2.99Å; R125-L129 WeakPolarHBondContact O-CG 3.3Å; R125-L129 PolarHBondContact O-N 3.5Å
126A69.8Low70Confident54 Ų54113.1 Ų113.145%0.44658%0.578SS.*Hα-helixtrans-61.2-39.4174.600000111.3Q122 S123 L129 Q130Q122-A126 WeakPolarHBondContact O-CB 3.39Å; Q122-A126 PolarHBondContact O-N 2.97Å; S123-A126 PolarHBondContact O-N 3.44Å; A126-L129 PolarHBondContact O-N 3.22Å; A126-Q130 WeakPolarHBondContact O-CB 3.28Å; A126-Q130 PolarHBondContact O-N 3.18Å
127L76.1Confident71.8Confident122 Ų122108.8 Ų108.864%0.63956%0.561SS**Hα-helixtrans-68.9-38.3179.6-143.4135.2000112.4S123 Q124 R125 G131S123-L127 WeakPolarHBondContact O-CB 3.29Å; S123-L127 PolarHBondContact O-N 3.33Å; Q124-L127 PolarHBondContact O-N 3Å; R125-L127 VanDerWaalsContact C-N 3.28Å; R125-L127 PolarHBondContact O-N 3.4Å; L127-G131 PolarHBondContact O-N 3.4Å
128L77.8Confident73.7Confident127 Ų127102.7 Ų102.767%0.66554%0.54SS*.Hα-helixtrans-68.4-43.3173.8-72.1172.9000112.2Q124 R125 Q130 G131 T132Q124-L128 WeakPolarHBondContact O-CG 3.49Å; Q124-L128 PolarHBondContact O-N 3.05Å; R125-L128 PolarHBondContact O-N 3.45Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-G131 PolarHBondContact O-N 3.34Å; L128-T132 PolarHBondContact O-N 2.95Å; L128-T132 PolarHBondContact O-OG1 3.05Å
129L78.2Confident75.6Confident120 Ų120102.8 Ų102.863%0.62854%0.541SS*.Hα-helixtrans-61.3-45.1174.4-78.4167.5000110.9R125 A126 G131 T132 E133R125-L129 WeakPolarHBondContact O-CB 2.99Å; R125-L129 WeakPolarHBondContact O-CG 3.3Å; R125-L129 PolarHBondContact O-N 3.5Å; A126-L129 PolarHBondContact O-N 3.22Å; L129-G131 PolarHBondContact O-N 3.1Å; L129-T132 WeakPolarHBondContact O-CB 3.09Å; L129-T132 PolarHBondContact O-N 3.28Å; L129-T132 VanDerWaalsContact O-N 3.15Å; L129-E133 PolarHBondContact O-N 2.87Å
130Q76.6Confident77.3Confident91 Ų91104 Ų10443%0.42554%0.542SS..Hα-helixtrans-63.1-41.7177.4-163.3-172.8-1.500111.6A126 L128 T132 E133 Y134A126-Q130 WeakPolarHBondContact O-CB 3.28Å; A126-Q130 PolarHBondContact O-N 3.18Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; Q130-T132 VanDerWaalsContact C-N 3.31Å; Q130-T132 PolarHBondContact O-N 3.2Å; Q130-E133 PolarHBondContact O-N 2.98Å; Q130-Y134 HydrophobicContact CB-CE2 4.5Å; Q130-Y134 HydrophobicContact CG-CD2 4.05Å; Q130-Y134 HydrophobicContact CG-CE2 3.44Å; Q130-Y134 VanDerWaalsContact CG-CE2 3.44Å; Q130-Y134 PolarHBondContact NE2-OH 3.33Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.46Å; Q130-Y134 PolarHBondContact O-N 2.98Å
131G81.3Confident79Confident32 Ų32101.4 Ų101.433%0.3354%0.536SS..Hα-helixtrans-61.5-37.617300000113.1L127 L128 L129 Y134 L135L127-G131 PolarHBondContact O-N 3.4Å; L128-G131 PolarHBondContact O-N 3.34Å; L129-G131 PolarHBondContact O-N 3.1Å; G131-Y134 PolarHBondContact O-N 3.42Å; G131-L135 PolarHBondContact O-N 3.45Å
132T83.6Confident80.6Confident92 Ų92101 Ų10156%0.56453%0.534SS*.Hα-helixtrans-69.1-40.3176.6-47.20000111.2L128 L129 Q130 L135 N136L128-T132 PolarHBondContact O-N 2.95Å; L128-T132 PolarHBondContact O-OG1 3.05Å; L129-T132 WeakPolarHBondContact O-CB 3.09Å; L129-T132 PolarHBondContact O-N 3.28Å; L129-T132 VanDerWaalsContact O-N 3.15Å; Q130-T132 VanDerWaalsContact C-N 3.31Å; Q130-T132 PolarHBondContact O-N 3.2Å; T132-L135 PolarHBondContact O-N 3.22Å; T132-N136 WeakPolarHBondContact O-CB 3.28Å; T132-N136 PolarHBondContact O-N 3.35Å
133E83.3Confident82.1Confident132 Ų132100.6 Ų100.662%0.61753%0.532SS*.Hα-helixtrans-65.3-38.5173.7-71.2-158.8158.500112.5L129 Q130 N136 N137L129-E133 PolarHBondContact O-N 2.87Å; Q130-E133 PolarHBondContact O-N 2.98Å; E133-N136 PolarHBondContact O-N 3.05Å; E133-N137 WeakPolarHBondContact O-CB 3.38Å; E133-N137 VanDerWaalsContact O-CG 3.31Å; E133-N137 PolarHBondContact O-N 3.4Å; E133-N137 PolarHBondContact O-ND2 3.07Å
134Y84.9Confident83.6Confident147 Ų147103.6 Ų103.658%0.57653%0.534SS*.Hα-helixtrans-63.5-42.2174.2-73.8-56.5000112.3Q130 G131 N137 A138Q130-Y134 HydrophobicContact CB-CE2 4.5Å; Q130-Y134 HydrophobicContact CG-CD2 4.05Å; Q130-Y134 HydrophobicContact CG-CE2 3.44Å; Q130-Y134 VanDerWaalsContact CG-CE2 3.44Å; Q130-Y134 PolarHBondContact NE2-OH 3.33Å; Q130-Y134 WeakPolarHBondContact O-CD2 3.46Å; Q130-Y134 PolarHBondContact O-N 2.98Å; G131-Y134 PolarHBondContact O-N 3.42Å; Y134-N137 PolarHBondContact O-N 2.96Å; Y134-A138 VanDerWaalsContact O-CB 3.25Å; Y134-A138 WeakPolarHBondContact O-CB 3.37Å; Y134-A138 PolarHBondContact O-N 2.99Å
135L87.8Confident85Confident124 Ų124101.9 Ų101.965%0.64953%0.534SS*.Hα-helixtrans-64.4-40.5175.6-93.5166.6000112.4G131 T132 A138 S139G131-L135 PolarHBondContact O-N 3.45Å; T132-L135 PolarHBondContact O-N 3.22Å; L135-A138 PolarHBondContact O-N 3.35Å; L135-S139 PolarHBondContact O-N 3.13Å; L135-S139 PolarHBondContact O-OG 2.93Å
136N90.8Very high86.2Confident114 Ų11499.4 Ų99.461%0.6153%0.531SS*.Hα-helixtrans-65.5-45.9177.3-168.421.1000111.1T132 E133 A138 S139 Q140T132-N136 WeakPolarHBondContact O-CB 3.28Å; T132-N136 PolarHBondContact O-N 3.35Å; E133-N136 PolarHBondContact O-N 3.05Å; N136-A138 VanDerWaalsContact C-N 3.33Å; N136-A138 PolarHBondContact O-N 3.35Å; N136-S139 PolarHBondContact O-N 3.04Å; N136-Q140 PolarHBondContact O-N 3.24Å
137N88.3Confident87.3Confident87 Ų87106 Ų10647%0.46554%0.544SS..Hα-helixtrans-62.4-39.3174.7-76.4-46.1000112.3E133 Y134 Q140 S141E133-N137 WeakPolarHBondContact O-CB 3.38Å; E133-N137 VanDerWaalsContact O-CG 3.31Å; E133-N137 PolarHBondContact O-N 3.4Å; E133-N137 PolarHBondContact O-ND2 3.07Å; Y134-N137 PolarHBondContact O-N 2.96Å; N137-Q140 PolarHBondContact O-N 2.91Å; N137-S141 WeakPolarHBondContact O-CB 3.47Å; N137-S141 PolarHBondContact O-N 3.5Å
138A89.2Confident88.1Confident48 Ų48104.8 Ų104.840%0.39754%0.537SS..Hα-helixtrans-64.8-44.1175.400000111.7Y134 L135 N136 Q140 S141 I142Y134-A138 VanDerWaalsContact O-CB 3.25Å; Y134-A138 WeakPolarHBondContact O-CB 3.37Å; Y134-A138 PolarHBondContact O-N 2.99Å; L135-A138 PolarHBondContact O-N 3.35Å; N136-A138 VanDerWaalsContact C-N 3.33Å; N136-A138 PolarHBondContact O-N 3.35Å; A138-Q140 PolarHBondContact O-N 3Å; A138-S141 WeakPolarHBondContact O-CB 3.32Å; A138-S141 PolarHBondContact O-N 3.45Å; A138-I142 WeakPolarHBondContact O-CG1 3.42Å; A138-I142 PolarHBondContact O-N 3.31Å
139S91.7Very high88.8Confident73 Ų73101.1 Ų101.151%0.5153%0.525SS..Hα-helixtrans-60-46.4174.7-73.10000111.7L135 N136 S141 I142 E143L135-S139 PolarHBondContact O-N 3.13Å; L135-S139 PolarHBondContact O-OG 2.93Å; N136-S139 PolarHBondContact O-N 3.04Å; S139-S141 VanDerWaalsContact C-N 3.26Å; S139-S141 PolarHBondContact O-N 3.36Å; S139-I142 PolarHBondContact O-N 2.91Å; S139-I142 VanDerWaalsContact O-N 3.15Å; S139-E143 PolarHBondContact O-N 3.38Å
140Q92.9Very high89.5Confident92 Ų9298.1 Ų98.143%0.4352%0.518SS..Hα-helixtrans-64.8-33178-155.8-167.730.800111.9N136 N137 A138 R144N136-Q140 PolarHBondContact O-N 3.24Å; N137-Q140 PolarHBondContact O-N 2.91Å; A138-Q140 PolarHBondContact O-N 3Å; Q140-R144 WeakPolarHBondContact O-CG 3.43Å; Q140-R144 PolarHBondContact O-N 2.9Å; Q140-R144 VanDerWaalsContact O-N 3.09Å
141S90.8Very high90.3Very high56 Ų5699.1 Ų99.139%0.39252%0.522SS..Hα-helixtrans-67.4-41.9173.2-165.80000111.9N137 A138 S139 R144 S145N137-S141 WeakPolarHBondContact O-CB 3.47Å; N137-S141 PolarHBondContact O-N 3.5Å; A138-S141 WeakPolarHBondContact O-CB 3.32Å; A138-S141 PolarHBondContact O-N 3.45Å; S139-S141 VanDerWaalsContact C-N 3.26Å; S139-S141 PolarHBondContact O-N 3.36Å; S141-R144 PolarHBondContact O-N 3.43Å; S141-S145 PolarHBondContact O-N 3.15Å; S141-S145 PolarHBondContact O-OG 2.72Å
142I93.2Very high90.8Very high115 Ų115101.5 Ų101.559%0.5953%0.531SS*.Hα-helixtrans-63.4-45176.8-71.6171.7000110.5A138 S139 R144 S145 Q146A138-I142 WeakPolarHBondContact O-CG1 3.42Å; A138-I142 PolarHBondContact O-N 3.31Å; S139-I142 PolarHBondContact O-N 2.91Å; S139-I142 VanDerWaalsContact O-N 3.15Å; I142-R144 VanDerWaalsContact C-N 3.32Å; I142-R144 PolarHBondContact O-N 3.06Å; I142-S145 PolarHBondContact O-N 3.47Å; I142-S145 VanDerWaalsContact O-N 3.15Å; I142-Q146 PolarHBondContact O-N 3.15Å
143E94.1Very high91.3Very high130 Ų130102.7 Ų102.761%0.60753%0.534SS*.Hα-helixtrans-59.3-43.7176.9-172.4-175.1-177.900111.4S139 Q146 R147S139-E143 PolarHBondContact O-N 3.38Å; E143-Q146 PolarHBondContact O-N 3.47Å; E143-R147 PolarHBondContact O-N 3.36Å
144R93.1Very high91.8Very high121 Ų121102.5 Ų102.546%0.45753%0.533SS..Hα-helixtrans-61.6-45.4173.2-76.7-170.5-64.9-98.6-1.7112.1Q140 S141 I142 Q146 R147 I148Q140-R144 WeakPolarHBondContact O-CG 3.43Å; Q140-R144 PolarHBondContact O-N 2.9Å; Q140-R144 VanDerWaalsContact O-N 3.09Å; S141-R144 PolarHBondContact O-N 3.43Å; I142-R144 VanDerWaalsContact C-N 3.32Å; I142-R144 PolarHBondContact O-N 3.06Å; R144-Q146 VanDerWaalsContact C-N 3.3Å; R144-Q146 PolarHBondContact O-N 3.24Å; R144-R147 PolarHBondContact O-N 2.94Å; R144-I148 VanDerWaalsContact O-CG1 3.28Å; R144-I148 WeakPolarHBondContact O-CG1 3.18Å; R144-I148 PolarHBondContact O-N 3.43Å
145S92.1Very high92.1Very high70 Ų7099.6 Ų99.649%0.4953%0.526SS..Hα-helixtrans-61.4-38.6177.7-68.90000112.1S141 I142 I148 A149S141-S145 PolarHBondContact O-N 3.15Å; S141-S145 PolarHBondContact O-OG 2.72Å; I142-S145 PolarHBondContact O-N 3.47Å; I142-S145 VanDerWaalsContact O-N 3.15Å; S145-I148 PolarHBondContact O-N 2.92Å; S145-A149 WeakPolarHBondContact O-CB 3.3Å; S145-A149 PolarHBondContact O-N 2.8Å
146Q94.1Very high92.4Very high140 Ų14095 Ų9565%0.65451%0.509SS*.Hα-helixtrans-67-41.3177.3-167.1179.811.500111.7I142 E143 R144 A149 A150I142-Q146 PolarHBondContact O-N 3.15Å; E143-Q146 PolarHBondContact O-N 3.47Å; R144-Q146 VanDerWaalsContact C-N 3.3Å; R144-Q146 PolarHBondContact O-N 3.24Å; Q146-A149 PolarHBondContact O-N 3.39Å; Q146-A150 PolarHBondContact O-N 3.29Å
147R93.4Very high92.6Very high192 Ų19293.7 Ų93.773%0.72551%0.505SS*.Hα-helixtrans-60.9-46.1173.3178.5-178.9-82.1179.4-4.1111.5E143 R144 A149 A150 E151E143-R147 PolarHBondContact O-N 3.36Å; R144-R147 PolarHBondContact O-N 2.94Å; R147-A149 VanDerWaalsContact C-N 3.32Å; R147-A149 PolarHBondContact O-N 3.24Å; R147-A150 PolarHBondContact O-N 3.48Å; R147-E151 PolarHBondContact O-N 3.33Å
148I92.5Very high92.8Very high97 Ų9793.7 Ų93.750%0.49751%0.505SS..Hα-helixtrans-64.3-39.5179.2-66.9165000110.8R144 S145 E151 T152R144-I148 VanDerWaalsContact O-CG1 3.28Å; R144-I148 WeakPolarHBondContact O-CG1 3.18Å; R144-I148 PolarHBondContact O-N 3.43Å; S145-I148 PolarHBondContact O-N 2.92Å; I148-E151 PolarHBondContact O-N 2.9Å; I148-T152 WeakPolarHBondContact O-CB 3.44Å; I148-T152 PolarHBondContact O-N 3.41Å; I148-T152 PolarHBondContact O-OG1 3.21Å
149A92.6Very high92.9Very high50 Ų5095.5 Ų95.541%0.41351%0.507SS..Hα-helixtrans-62.2-44.5175.600000111.4S145 Q146 R147 E151 T152 D153S145-A149 WeakPolarHBondContact O-CB 3.3Å; S145-A149 PolarHBondContact O-N 2.8Å; Q146-A149 PolarHBondContact O-N 3.39Å; R147-A149 VanDerWaalsContact C-N 3.32Å; R147-A149 PolarHBondContact O-N 3.24Å; A149-E151 PolarHBondContact O-N 3.19Å; A149-T152 WeakPolarHBondContact O-CB 3.39Å; A149-T152 PolarHBondContact O-N 2.91Å; A149-D153 PolarHBondContact O-N 3.41Å
150A94.3Very high93Very high57 Ų5797.9 Ų97.947%0.47151%0.513SS..Hα-helixtrans-63.8-40.8176.900000112.7Q146 R147 T152 D153 Q154Q146-A150 PolarHBondContact O-N 3.29Å; R147-A150 PolarHBondContact O-N 3.48Å; A150-T152 VanDerWaalsContact C-N 3.31Å; A150-T152 PolarHBondContact O-N 3.5Å; A150-D153 PolarHBondContact O-N 2.83Å; A150-Q154 PolarHBondContact O-N 2.91Å
151E92.8Very high93.2Very high113 Ų11399.6 Ų99.653%0.52852%0.521SS..Hα-helixtrans-63.3-39.2173.5-174.3179.2179.500111.3R147 I148 A149 Q154 I155R147-E151 PolarHBondContact O-N 3.33Å; I148-E151 PolarHBondContact O-N 2.9Å; A149-E151 PolarHBondContact O-N 3.19Å; E151-Q154 PolarHBondContact O-N 3.48Å; E151-I155 HydrophobicContact CG-CD1 4.17Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.47Å; E151-I155 PolarHBondContact O-N 3.29Å
152T92.4Very high93.3Very high82 Ų82101.2 Ų101.250%0.50352%0.522SS..Hα-helixtrans-66.1-40.2176.7-56.50000111.9I148 A149 A150 Q154 I155 G156I148-T152 WeakPolarHBondContact O-CB 3.44Å; I148-T152 PolarHBondContact O-N 3.41Å; I148-T152 PolarHBondContact O-OG1 3.21Å; A149-T152 WeakPolarHBondContact O-CB 3.39Å; A149-T152 PolarHBondContact O-N 2.91Å; A150-T152 VanDerWaalsContact C-N 3.31Å; A150-T152 PolarHBondContact O-N 3.5Å; T152-Q154 VanDerWaalsContact C-N 3.32Å; T152-I155 PolarHBondContact O-N 3.4Å; T152-G156 PolarHBondContact O-N 2.93Å
153D93.4Very high93.3Very high117 Ų117100.3 Ų100.363%0.62652%0.518SS*.Hα-helixtrans-63.7-38.9175-78.5-9.8000111.5A149 A150 G156 T157A149-D153 PolarHBondContact O-N 3.41Å; A150-D153 PolarHBondContact O-N 2.83Å; D153-G156 PolarHBondContact O-N 3.45Å; D153-T157 PolarHBondContact O-N 3.46Å; D153-T157 PolarHBondContact O-OG1 2.61Å
154Q92.6Very high93.3Very high128 Ų12896 Ų9660%0.59851%0.509SS*.Hα-helixtrans-64.7-48.9175.4-171.81720.800111.2A150 E151 T152 G156 T157 D158A150-Q154 PolarHBondContact O-N 2.91Å; E151-Q154 PolarHBondContact O-N 3.48Å; T152-Q154 VanDerWaalsContact C-N 3.32Å; Q154-G156 VanDerWaalsContact C-N 3.26Å; Q154-G156 PolarHBondContact O-N 3.09Å; Q154-T157 WeakPolarHBondContact O-CB 3.33Å; Q154-T157 PolarHBondContact O-N 2.96Å; Q154-D158 PolarHBondContact O-N 2.9Å
155I92.8Very high93.3Very high85 Ų8595.7 Ų95.744%0.43651%0.513SS..Hα-helixtrans-58.8-40.6174.6-66.7164.6000110.8E151 T152 T157 D158 I159E151-I155 HydrophobicContact CG-CD1 4.17Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.47Å; E151-I155 PolarHBondContact O-N 3.29Å; T152-I155 PolarHBondContact O-N 3.4Å; I155-T157 VanDerWaalsContact C-N 3.29Å; I155-T157 PolarHBondContact O-N 2.97Å; I155-D158 PolarHBondContact O-N 2.95Å; I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 HydrophobicContact CG2-CG1 4.4Å; I155-I159 VanDerWaalsContact O-CG1 3.24Å; I155-I159 WeakPolarHBondContact O-CG1 3.45Å; I155-I159 PolarHBondContact O-N 3.01Å
156G93.8Very high93.3Very high28 Ų2896.5 Ų96.529%0.28951%0.509SS..Hα-helixtrans-61.1-38.9176.100000112.5T152 D153 Q154 I159 I160T152-G156 PolarHBondContact O-N 2.93Å; D153-G156 PolarHBondContact O-N 3.45Å; Q154-G156 VanDerWaalsContact C-N 3.26Å; Q154-G156 PolarHBondContact O-N 3.09Å; G156-I159 PolarHBondContact O-N 3.12Å; G156-I160 VanDerWaalsContact O-CG1 3.29Å; G156-I160 WeakPolarHBondContact O-CG1 3.12Å; G156-I160 PolarHBondContact O-N 3.49Å; G156-I160 VanDerWaalsContact O-N 3.08Å
157T95.3Very high93.4Very high87 Ų8799.3 Ų99.353%0.53451%0.513SS..Hα-helixtrans-65.7-47.2176.2-55.70000111.2D153 Q154 I155 I159 I160 E161D153-T157 PolarHBondContact O-N 3.46Å; D153-T157 PolarHBondContact O-OG1 2.61Å; Q154-T157 WeakPolarHBondContact O-CB 3.33Å; Q154-T157 PolarHBondContact O-N 2.96Å; I155-T157 VanDerWaalsContact C-N 3.29Å; I155-T157 PolarHBondContact O-N 2.97Å; T157-I159 VanDerWaalsContact C-N 3.29Å; T157-I159 PolarHBondContact O-N 3.22Å; T157-I160 PolarHBondContact O-N 3.07Å; T157-I160 VanDerWaalsContact O-N 3.09Å; T157-E161 PolarHBondContact O-N 3.44Å
158D92.2Very high93.4Very high87 Ų8795 Ų9547%0.46550%0.502SS..Hα-helixtrans-60.5-39.7177.5-65.8-7.6000111.5Q154 I155 I160 E161 E162Q154-D158 PolarHBondContact O-N 2.9Å; I155-D158 PolarHBondContact O-N 2.95Å; D158-I160 PolarHBondContact O-N 3.21Å; D158-E161 PolarHBondContact O-N 3.14Å; D158-E162 PolarHBondContact O-N 3.32Å
159I91.9Very high93.4Very high86 Ų8696.1 Ų96.144%0.44151%0.505SS..Hα-helixtrans-63.2-41.6175.3-70.3166.8000111I155 G156 T157 E161 E162 L163I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 HydrophobicContact CG2-CG1 4.4Å; I155-I159 VanDerWaalsContact O-CG1 3.24Å; I155-I159 WeakPolarHBondContact O-CG1 3.45Å; I155-I159 PolarHBondContact O-N 3.01Å; G156-I159 PolarHBondContact O-N 3.12Å; T157-I159 VanDerWaalsContact C-N 3.29Å; T157-I159 PolarHBondContact O-N 3.22Å; I159-E161 VanDerWaalsContact C-N 3.32Å; I159-E162 PolarHBondContact O-N 3.43Å; I159-L163 HydrophobicContact CG2-CD1 3.89Å; I159-L163 HydrophobicContact CG2-CG 4.28Å; I159-L163 WeakPolarHBondContact O-CB 3.48Å; I159-L163 WeakPolarHBondContact O-CG 3.4Å; I159-L163 PolarHBondContact O-N 3.22Å
160I93.8Very high93.4Very high122 Ų12299.8 Ų99.863%0.62652%0.517SS*.Hα-helixtrans-64.4-39.7178.3-70.1165.2000110.6G156 T157 D158 G164G156-I160 VanDerWaalsContact O-CG1 3.29Å; G156-I160 WeakPolarHBondContact O-CG1 3.12Å; G156-I160 PolarHBondContact O-N 3.49Å; G156-I160 VanDerWaalsContact O-N 3.08Å; T157-I160 PolarHBondContact O-N 3.07Å; T157-I160 VanDerWaalsContact O-N 3.09Å; D158-I160 PolarHBondContact O-N 3.21Å; I160-G164 PolarHBondContact O-N 3.42Å
161E95.3Very high93.4Very high128 Ų128101.3 Ų101.360%0.59852%0.517SS*.Hα-helixtrans-62.8-49.7175.1-173.6172.5-166.200111.3T157 D158 I159 L163 G164 E165T157-E161 PolarHBondContact O-N 3.44Å; D158-E161 PolarHBondContact O-N 3.14Å; I159-E161 VanDerWaalsContact C-N 3.32Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 2.93Å; E161-G164 WeakPolarHBondContact O-CA 3.32Å; E161-G164 PolarHBondContact O-N 3.28Å; E161-E165 PolarHBondContact O-N 3.01Å
162E93.6Very high93.4Very high90 Ų90102.4 Ų102.442%0.42152%0.516SS..Hα-helixtrans-60.6-41.3177.9-173.6176.5-178.100111.8D158 I159 G164 E165 Q166D158-E162 PolarHBondContact O-N 3.32Å; I159-E162 PolarHBondContact O-N 3.43Å; E162-G164 VanDerWaalsContact C-N 3.27Å; E162-G164 PolarHBondContact O-N 2.86Å; E162-E165 PolarHBondContact O-N 2.74Å; E162-Q166 WeakPolarHBondContact O-CB 3.16Å; E162-Q166 VanDerWaalsContact O-CG 3.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.35Å; E162-Q166 PolarHBondContact O-N 2.87Å; E162-Q166 PolarHBondContact OE1-NE2 3.15Å
163L94.3Very high93.3Very high96 Ų96102.7 Ų102.750%0.50352%0.518SS..Hα-helixtrans-63.3-34.6174.6-73.2173.2000112.1I159 E161 R167I159-L163 HydrophobicContact CG2-CD1 3.89Å; I159-L163 HydrophobicContact CG2-CG 4.28Å; I159-L163 WeakPolarHBondContact O-CB 3.48Å; I159-L163 WeakPolarHBondContact O-CG 3.4Å; I159-L163 PolarHBondContact O-N 3.22Å; E161-L163 VanDerWaalsContact C-N 3.33Å; E161-L163 PolarHBondContact O-N 2.93Å; L163-R167 WeakPolarHBondContact O-CB 3.29Å; L163-R167 PolarHBondContact O-N 3.28Å
164G93.4Very high93.2Very high41 Ų41104.3 Ų104.342%0.42352%0.515SS..Hα-helixtrans-61.4-49.617200000112I160 E161 E162 Q166 R167 E168I160-G164 PolarHBondContact O-N 3.42Å; E161-G164 WeakPolarHBondContact O-CA 3.32Å; E161-G164 PolarHBondContact O-N 3.28Å; E162-G164 VanDerWaalsContact C-N 3.27Å; E162-G164 PolarHBondContact O-N 2.86Å; G164-Q166 PolarHBondContact O-N 3.25Å; G164-R167 WeakPolarHBondContact O-CB 3.38Å; G164-R167 PolarHBondContact O-N 3.16Å; G164-E168 PolarHBondContact O-N 3.42Å
165E93.4Very high93.2Very high113 Ų113102.8 Ų102.853%0.52851%0.511SS..Hα-helixtrans-62.2-43.4176.8-66.6-164.9153.200112.3E161 E162 R167 E168 Q169E161-E165 PolarHBondContact O-N 3.01Å; E162-E165 PolarHBondContact O-N 2.74Å; E165-R167 VanDerWaalsContact C-N 3.31Å; E165-R167 PolarHBondContact O-N 2.96Å; E165-E168 PolarHBondContact O-N 3.06Å; E165-Q169 PolarHBondContact O-N 3.22Å
166Q91.9Very high92.9Very high87 Ų87107.6 Ų107.641%0.40752%0.524SS..Hα-helixtrans-62-39.7176.8-73.5179.912.200111.7E162 G164 E168 Q169 L170E162-Q166 WeakPolarHBondContact O-CB 3.16Å; E162-Q166 VanDerWaalsContact O-CG 3.31Å; E162-Q166 WeakPolarHBondContact O-CG 3.35Å; E162-Q166 PolarHBondContact O-N 2.87Å; E162-Q166 PolarHBondContact OE1-NE2 3.15Å; G164-Q166 PolarHBondContact O-N 3.25Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; Q166-Q169 PolarHBondContact O-N 2.92Å; Q166-L170 PolarHBondContact O-N 2.96Å
167R95.2Very high92.7Very high199 Ų199112.5 Ų112.575%0.75154%0.543SS*.Hα-helixtrans-61.3-43.1174.2-178.6178.9177.6168.5-0.3111.2L163 G164 E165 L170 D171L163-R167 WeakPolarHBondContact O-CB 3.29Å; L163-R167 PolarHBondContact O-N 3.28Å; G164-R167 WeakPolarHBondContact O-CB 3.38Å; G164-R167 PolarHBondContact O-N 3.16Å; E165-R167 VanDerWaalsContact C-N 3.31Å; E165-R167 PolarHBondContact O-N 2.96Å; R167-L170 PolarHBondContact O-N 2.81Å; R167-D171 PolarHBondContact O-N 3.34Å
168E94.8Very high92.3Very high103 Ų103113.8 Ų113.848%0.48154%0.544SS..Hα-helixtrans-64.4-41176.8-165.9-173.4-175.800111.8G164 E165 Q166 L170 D171 R172G164-E168 PolarHBondContact O-N 3.42Å; E165-E168 PolarHBondContact O-N 3.06Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; E168-L170 VanDerWaalsContact C-N 3.34Å; E168-L170 PolarHBondContact O-N 3.11Å; E168-D171 PolarHBondContact O-N 3.35Å; E168-R172 WeakPolarHBondContact O-CG 2.96Å; E168-R172 PolarHBondContact O-N 2.93Å; E168-R172 IonicContact OE1-CZ 2.98Å; E168-R172 IonicContact OE1-NE 3.65Å; E168-R172 PolarHBondContact OE1-NE 2.99Å; E168-R172 IonicContact OE1-NH2 3.57Å; E168-R172 PolarHBondContact OE1-NH2 3.34Å; E168-R172 IonicContact OE2-CZ 2.87Å; E168-R172 IonicContact OE2-NH2 3.78Å; E168-R172 PolarHBondContact OE2-NH2 3.46Å
169Q91.8Very high92Very high120 Ų120113.6 Ų113.656%0.56154%0.543SS*.Hα-helixtrans-61.8-41.4174.1-73.7-175.511.800112.5E165 Q166 D171 T173E165-Q169 PolarHBondContact O-N 3.22Å; Q166-Q169 PolarHBondContact O-N 2.92Å; Q169-D171 VanDerWaalsContact C-N 3.34Å; Q169-T173 WeakPolarHBondContact O-CB 3.46Å; Q169-T173 PolarHBondContact O-N 3.28Å; Q169-T173 PolarHBondContact O-OG1 3.01Å
170L91.8Very high91.6Very high127 Ų127113.7 Ų113.767%0.66555%0.548SS*.Hα-helixtrans-61.8-42.7174.8-91167.8000111.4Q166 R167 E168 T173 R174Q166-L170 PolarHBondContact O-N 2.96Å; R167-L170 PolarHBondContact O-N 2.81Å; E168-L170 VanDerWaalsContact C-N 3.34Å; E168-L170 PolarHBondContact O-N 3.11Å; L170-T173 PolarHBondContact O-N 3.45Å; L170-R174 WeakPolarHBondContact O-CB 3.42Å; L170-R174 PolarHBondContact O-N 3.44Å
171D95Very high91.1Very high89 Ų89109.9 Ų109.948%0.47654%0.539SS..Hα-helixtrans-66.3-45.3179.7-141.727.7000111.3R167 E168 Q169 T173 R174 D175R167-D171 PolarHBondContact O-N 3.34Å; E168-D171 PolarHBondContact O-N 3.35Å; Q169-D171 VanDerWaalsContact C-N 3.34Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 2.83Å; D171-R174 WeakPolarHBondContact O-CB 3.39Å; D171-R174 PolarHBondContact O-N 2.84Å; D171-R174 VanDerWaalsContact O-N 3.16Å; D171-D175 PolarHBondContact O-N 3.48Å
172R92.9Very high90.5Very high135 Ų135109.8 Ų109.851%0.50954%0.538SS..Hα-helixtrans-59.3-38172.9-69.7177.3-171.5161.30.6112.4E168 R176E168-R172 WeakPolarHBondContact O-CG 2.96Å; E168-R172 PolarHBondContact O-N 2.93Å; E168-R172 IonicContact OE1-CZ 2.98Å; E168-R172 IonicContact OE1-NE 3.65Å; E168-R172 PolarHBondContact OE1-NE 2.99Å; E168-R172 IonicContact OE1-NH2 3.57Å; E168-R172 PolarHBondContact OE1-NH2 3.34Å; E168-R172 IonicContact OE2-CZ 2.87Å; E168-R172 IonicContact OE2-NH2 3.78Å; E168-R172 PolarHBondContact OE2-NH2 3.46Å; R172-R176 VanDerWaalsContact O-CG 3.3Å; R172-R176 WeakPolarHBondContact O-CG 3.5Å; R172-R176 PolarHBondContact O-N 2.99Å
173T89.6Confident90Very high88 Ų88109.2 Ų109.254%0.5454%0.538SS..Hα-helixtrans-69.1-41.4177.8-58.30000110.9Q169 L170 D171 R176 L177Q169-T173 WeakPolarHBondContact O-CB 3.46Å; Q169-T173 PolarHBondContact O-N 3.28Å; Q169-T173 PolarHBondContact O-OG1 3.01Å; L170-T173 PolarHBondContact O-N 3.45Å; D171-T173 VanDerWaalsContact C-N 3.27Å; D171-T173 PolarHBondContact O-N 2.83Å; T173-R176 PolarHBondContact O-N 3.42Å; T173-L177 WeakPolarHBondContact O-CB 3.45Å; T173-L177 PolarHBondContact O-N 3.5Å
174R92.6Very high89.5Confident151 Ų151110.6 Ų110.657%0.5755%0.545SS*.Hα-helixtrans-60-46.7174.1-178.8-167.4174.4165.51.6111.1L170 D171 R176 L177 M178L170-R174 WeakPolarHBondContact O-CB 3.42Å; L170-R174 PolarHBondContact O-N 3.44Å; D171-R174 WeakPolarHBondContact O-CB 3.39Å; D171-R174 PolarHBondContact O-N 2.84Å; D171-R174 VanDerWaalsContact O-N 3.16Å; R174-R176 PolarHBondContact O-N 3.19Å; R174-L177 WeakPolarHBondContact O-CB 3.49Å; R174-L177 PolarHBondContact O-N 2.93Å; R174-L177 VanDerWaalsContact O-N 3.15Å; R174-M178 WeakPolarHBondContact O-CG 3.33Å; R174-M178 PolarHBondContact O-N 3.04Å
175D91.6Very high89Confident96 Ų96112.8 Ų112.851%0.51355%0.554SS.*Hα-helixtrans-61.5-43.6178-78.4-12.7000112D171 L177 M178 N179D171-D175 PolarHBondContact O-N 3.48Å; D175-L177 VanDerWaalsContact C-N 3.31Å; D175-L177 PolarHBondContact O-N 3.46Å; D175-M178 PolarHBondContact O-N 2.9Å; D175-N179 WeakPolarHBondContact O-CB 3.37Å; D175-N179 PolarHBondContact O-N 3.38Å
176R87.4Confident88.5Confident187 Ų187115.8 Ų115.871%0.70656%0.56SS**Hα-helixtrans-61.2-39.4173.7-73.9175.9-178.2-1431.8112.2R172 T173 R174 N179 T180R172-R176 VanDerWaalsContact O-CG 3.3Å; R172-R176 WeakPolarHBondContact O-CG 3.5Å; R172-R176 PolarHBondContact O-N 2.99Å; T173-R176 PolarHBondContact O-N 3.42Å; R174-R176 PolarHBondContact O-N 3.19Å; R176-N179 PolarHBondContact O-N 3.43Å; R176-T180 WeakPolarHBondContact O-CB 3.38Å; R176-T180 PolarHBondContact O-N 3.47Å; R176-T180 PolarHBondContact O-OG1 3.37Å
177L88.3Confident88.2Confident130 Ų130114.5 Ų114.568%0.68156%0.561SS**Hα-helixtrans-64.8-45.4177-166.591.8000111T173 R174 D175 T180 G181T173-L177 WeakPolarHBondContact O-CB 3.45Å; T173-L177 PolarHBondContact O-N 3.5Å; R174-L177 WeakPolarHBondContact O-CB 3.49Å; R174-L177 PolarHBondContact O-N 2.93Å; R174-L177 VanDerWaalsContact O-N 3.15Å; D175-L177 VanDerWaalsContact C-N 3.31Å; D175-L177 PolarHBondContact O-N 3.46Å; L177-T180 PolarHBondContact O-N 3.37Å; L177-G181 PolarHBondContact O-N 3.4Å
178M88.4Confident87.8Confident114 Ų114113.8 Ų113.856%0.56256%0.559SS**Hα-helixtrans-61.3-46.2176.3-70.2-170.6112.400111.1R174 D175 T180 G181 E182R174-M178 WeakPolarHBondContact O-CG 3.33Å; R174-M178 PolarHBondContact O-N 3.04Å; D175-M178 PolarHBondContact O-N 2.9Å; M178-T180 VanDerWaalsContact C-N 3.34Å; M178-T180 PolarHBondContact O-N 3.17Å; M178-G181 PolarHBondContact O-N 3.49Å; M178-G181 VanDerWaalsContact O-N 3.14Å; M178-E182 PolarHBondContact O-N 3.49Å; M178-E182 VanDerWaalsContact O-N 3.07Å
179N84.9Confident87.6Confident84 Ų84116.9 Ų116.945%0.44957%0.57SS.*Hα-helixtrans-61.1-40.8175.8-167.8-71.4000112.2D175 R176 G181 E182 N183D175-N179 WeakPolarHBondContact O-CB 3.37Å; D175-N179 PolarHBondContact O-N 3.38Å; R176-N179 PolarHBondContact O-N 3.43Å; N179-G181 VanDerWaalsContact C-N 3.32Å; N179-G181 PolarHBondContact O-N 2.64Å; N179-E182 PolarHBondContact O-N 2.94Å; N179-N183 PolarHBondContact O-N 3.09Å; N179-N183 PolarHBondContact O-ND2 3.2Å; N179-N183 PolarHBondContact OD1-ND2 3.45Å
180T84.3Confident87.4Confident88 Ų88115.9 Ų115.954%0.5457%0.568SS.*Hα-helixtrans-62.8-39.5175.1-580000111.4R176 L177 M178 E182 N183 L184R176-T180 WeakPolarHBondContact O-CB 3.38Å; R176-T180 PolarHBondContact O-N 3.47Å; R176-T180 PolarHBondContact O-OG1 3.37Å; L177-T180 PolarHBondContact O-N 3.37Å; M178-T180 VanDerWaalsContact C-N 3.34Å; M178-T180 PolarHBondContact O-N 3.17Å; T180-E182 PolarHBondContact O-N 3.34Å; T180-N183 PolarHBondContact O-N 3.2Å; T180-L184 WeakPolarHBondContact O-CB 3.41Å; T180-L184 PolarHBondContact O-N 2.96Å
181G82.9Confident87.3Confident42 Ų42115.4 Ų115.443%0.43357%0.565SS.*Hα-helixtrans-59.6-43173.400000112.8L177 M178 N179 L184 S185L177-G181 PolarHBondContact O-N 3.4Å; M178-G181 PolarHBondContact O-N 3.49Å; M178-G181 VanDerWaalsContact O-N 3.14Å; N179-G181 VanDerWaalsContact C-N 3.32Å; N179-G181 PolarHBondContact O-N 2.64Å; G181-L184 PolarHBondContact O-N 2.99Å; G181-S185 PolarHBondContact O-N 3.4Å; G181-S185 VanDerWaalsContact O-N 3.09Å
182E82.3Confident87Confident126 Ų126118.6 Ų118.659%0.58957%0.571SS**Hα-helixtrans-64.7-44174.9-66.9-166.515200112.5M178 N179 T180 L184 S185 R186M178-E182 PolarHBondContact O-N 3.49Å; M178-E182 VanDerWaalsContact O-N 3.07Å; N179-E182 PolarHBondContact O-N 2.94Å; T180-E182 PolarHBondContact O-N 3.34Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.09Å; E182-S185 WeakPolarHBondContact O-CB 3.43Å; E182-S185 PolarHBondContact O-N 3.49Å; E182-R186 PolarHBondContact O-N 2.94Å
183N84.2Confident86.9Confident78 Ų78114.5 Ų114.542%0.41757%0.565SS.*Hα-helixtrans-65-34.7177.5-69-31.7000112.4N179 T180 R186 S187N179-N183 PolarHBondContact O-N 3.09Å; N179-N183 PolarHBondContact O-ND2 3.2Å; N179-N183 PolarHBondContact OD1-ND2 3.45Å; T180-N183 PolarHBondContact O-N 3.2Å; N183-R186 PolarHBondContact O-N 3.42Å; N183-S187 WeakPolarHBondContact O-CB 3.45Å; N183-S187 PolarHBondContact O-N 2.9Å; N183-S187 PolarHBondContact O-OG 2.9Å
184L82.3Confident87Confident125 Ų125115.6 Ų115.665%0.65457%0.566SS**Hα-helixtrans-65.9-41.3174.6-169.270.6000111.1T180 G181 E182 S187 R188T180-L184 WeakPolarHBondContact O-CB 3.41Å; T180-L184 PolarHBondContact O-N 2.96Å; G181-L184 PolarHBondContact O-N 2.99Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.09Å; L184-S187 PolarHBondContact O-N 3.42Å; L184-R188 WeakPolarHBondContact O-CB 3.4Å; L184-R188 PolarHBondContact O-N 3.11Å
185S84Confident86.8Confident86 Ų86111.8 Ų111.860%0.60156%0.562SS**Hα-helixtrans-61.2-44.9174.3-177.50000111.9G181 E182 R188 K189G181-S185 PolarHBondContact O-N 3.4Å; G181-S185 VanDerWaalsContact O-N 3.09Å; E182-S185 WeakPolarHBondContact O-CB 3.43Å; E182-S185 PolarHBondContact O-N 3.49Å; S185-R188 PolarHBondContact O-N 3.35Å; S185-K189 PolarHBondContact O-N 2.87Å; S185-K189 VanDerWaalsContact O-N 3.08Å
186R82.5Confident86.8Confident176 Ų176114.3 Ų114.366%0.66457%0.565SS**Hα-helixtrans-61.9-46.4174.2-70.4-170.6-175.1-150.54.3112E182 N183 R188 K189 I190E182-R186 PolarHBondContact O-N 2.94Å; N183-R186 PolarHBondContact O-N 3.42Å; R186-R188 VanDerWaalsContact C-N 3.32Å; R186-R188 PolarHBondContact O-N 3.38Å; R186-K189 WeakPolarHBondContact O-CB 3.46Å; R186-K189 PolarHBondContact O-N 3.08Å; R186-K189 VanDerWaalsContact O-N 3.11Å; R186-I190 WeakPolarHBondContact O-CG1 3.36Å; R186-I190 PolarHBondContact O-N 3.09Å
187S85.9Confident87Confident61 Ų61113.9 Ų113.943%0.42756%0.563SS.*Hα-helixtrans-58.3-43.7177.4-65.60000111.6N183 L184 K189 I190 L191N183-S187 WeakPolarHBondContact O-CB 3.45Å; N183-S187 PolarHBondContact O-N 2.9Å; N183-S187 PolarHBondContact O-OG 2.9Å; L184-S187 PolarHBondContact O-N 3.42Å; S187-K189 VanDerWaalsContact C-N 3.32Å; S187-K189 PolarHBondContact O-N 3.44Å; S187-I190 PolarHBondContact O-N 2.98Å; S187-L191 WeakPolarHBondContact O-CB 3.44Å; S187-L191 WeakPolarHBondContact O-CG 3.32Å; S187-L191 PolarHBondContact O-N 2.87Å
188R86.9Confident87.2Confident184 Ų184113 Ų11369%0.69456%0.559SS**Hα-helixtrans-62.6-38.3176.1-166.4175.2-169.4-112.42.8112.2L184 S185 R186 R192L184-R188 WeakPolarHBondContact O-CB 3.4Å; L184-R188 PolarHBondContact O-N 3.11Å; S185-R188 PolarHBondContact O-N 3.35Å; R186-R188 VanDerWaalsContact C-N 3.32Å; R186-R188 PolarHBondContact O-N 3.38Å; R188-R192 VanDerWaalsContact O-CB 3.32Å; R188-R192 WeakPolarHBondContact O-CB 3.48Å; R188-R192 PolarHBondContact O-N 3.25Å
189K89.6Confident87.4Confident167 Ų167114.1 Ų114.173%0.72656%0.564SS**Hα-helixtrans-64.2-43.8175.6-168.5177.1-178178.80111.5S185 R186 S187 R192 A193S185-K189 PolarHBondContact O-N 2.87Å; S185-K189 VanDerWaalsContact O-N 3.08Å; R186-K189 WeakPolarHBondContact O-CB 3.46Å; R186-K189 PolarHBondContact O-N 3.08Å; R186-K189 VanDerWaalsContact O-N 3.11Å; S187-K189 VanDerWaalsContact C-N 3.32Å; S187-K189 PolarHBondContact O-N 3.44Å; K189-R192 PolarHBondContact O-N 3.05Å; K189-A193 PolarHBondContact O-N 3.4Å
190I88.6Confident87.9Confident99 Ų99113.5 Ų113.551%0.50856%0.564SS.*Hα-helixtrans-64.9-48.4177.6-65.1167.5000110.8R186 S187 R192 A193 M194R186-I190 WeakPolarHBondContact O-CG1 3.36Å; R186-I190 PolarHBondContact O-N 3.09Å; S187-I190 PolarHBondContact O-N 2.98Å; I190-R192 VanDerWaalsContact C-N 3.29Å; I190-R192 PolarHBondContact O-N 3.1Å; I190-A193 WeakPolarHBondContact O-CB 3.44Å; I190-A193 PolarHBondContact O-N 3.44Å; I190-M194 HydrophobicContact CG2-CE 4.35Å; I190-M194 PolarHBondContact O-N 2.88Å
191L88.3Confident88.4Confident117 Ų117114.2 Ų114.261%0.61356%0.564SS**Hα-helixtrans-58.4-41.7177.3-74.3173.7000111.8S187 A193 M194 S195S187-L191 WeakPolarHBondContact O-CB 3.44Å; S187-L191 WeakPolarHBondContact O-CG 3.32Å; S187-L191 PolarHBondContact O-N 2.87Å; L191-A193 VanDerWaalsContact C-N 3.31Å; L191-A193 PolarHBondContact O-N 3.06Å; L191-M194 PolarHBondContact O-N 3.35Å; L191-S195 VanDerWaalsContact O-CB 3.3Å; L191-S195 WeakPolarHBondContact O-CB 3.39Å; L191-S195 PolarHBondContact O-N 2.84Å
192R90.4Very high89Confident157 Ų157119.3 Ų119.359%0.59257%0.574SS**Hα-helixtrans-66.4-33.1176.9-162.2174-173.8-173.12.3112.3R188 K189 I190 R196R188-R192 VanDerWaalsContact O-CB 3.32Å; R188-R192 WeakPolarHBondContact O-CB 3.48Å; R188-R192 PolarHBondContact O-N 3.25Å; K189-R192 PolarHBondContact O-N 3.05Å; I190-R192 VanDerWaalsContact C-N 3.29Å; I190-R192 PolarHBondContact O-N 3.1Å; R192-R196 WeakPolarHBondContact O-CB 3.38Å; R192-R196 PolarHBondContact O-N 3.32Å
193A90.5Very high89.6Confident48 Ų48119.1 Ų119.140%0.39758%0.576SS.*Hα-helixtrans-70.7-44173.700000111.8K189 I190 L191 R196 R197K189-A193 PolarHBondContact O-N 3.4Å; I190-A193 WeakPolarHBondContact O-CB 3.44Å; I190-A193 PolarHBondContact O-N 3.44Å; L191-A193 VanDerWaalsContact C-N 3.31Å; L191-A193 PolarHBondContact O-N 3.06Å; A193-R196 PolarHBondContact O-N 3.2Å; A193-R197 WeakPolarHBondContact O-CG 3.47Å; A193-R197 PolarHBondContact O-N 3.34Å; A193-R197 VanDerWaalsContact O-N 3.1Å
194M91.5Very high90.1Very high111 Ų111120.4 Ų120.455%0.54758%0.583SS.*Hα-helixtrans-61-47.5174.4-75.7-168.3174.200111.7I190 L191 R196 R197 L198I190-M194 HydrophobicContact CG2-CE 4.35Å; I190-M194 PolarHBondContact O-N 2.88Å; L191-M194 PolarHBondContact O-N 3.35Å; M194-R196 VanDerWaalsContact C-N 3.26Å; M194-R196 PolarHBondContact O-N 2.84Å; M194-R197 PolarHBondContact O-N 3.48Å; M194-R197 VanDerWaalsContact O-N 3.15Å; M194-L198 WeakPolarHBondContact O-CG 3.42Å; M194-L198 PolarHBondContact O-N 3.29Å
195S88.8Confident90.7Very high71 Ų71119.4 Ų119.450%0.49758%0.578SS.*Hα-helixtrans-56.1-40.9176.81720000112L191 L198 M199L191-S195 VanDerWaalsContact O-CB 3.3Å; L191-S195 WeakPolarHBondContact O-CB 3.39Å; L191-S195 PolarHBondContact O-N 2.84Å; S195-L198 PolarHBondContact O-N 3.24Å; S195-M199 PolarHBondContact O-N 3Å
196R90.4Very high91.3Very high150 Ų150117.6 Ų117.657%0.56657%0.568SS**Hα-helixtrans-66.2-42.9178.2-138.8173.4-72.8-135.83.4112R192 A193 M194 L198 M199 T200R192-R196 WeakPolarHBondContact O-CB 3.38Å; R192-R196 PolarHBondContact O-N 3.32Å; A193-R196 PolarHBondContact O-N 3.2Å; M194-R196 VanDerWaalsContact C-N 3.26Å; M194-R196 PolarHBondContact O-N 2.84Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 3.36Å; R196-M199 PolarHBondContact O-N 3.15Å; R196-T200 PolarHBondContact O-N 3.28Å; R196-T200 PolarHBondContact O-OG1 3.34Å
197R93.1Very high92Very high177 Ų177113.1 Ų113.167%0.66856%0.56SS**Hα-helixtrans-62-39.1174.7-69.2176.9-178.8-173.3-0.5112.3A193 M194 T200 N201A193-R197 WeakPolarHBondContact O-CG 3.47Å; A193-R197 PolarHBondContact O-N 3.34Å; A193-R197 VanDerWaalsContact O-N 3.1Å; M194-R197 PolarHBondContact O-N 3.48Å; M194-R197 VanDerWaalsContact O-N 3.15Å; R197-T200 WeakPolarHBondContact CA-OG1 3.43Å; R197-T200 PolarHBondContact O-N 3.36Å; R197-T200 PolarHBondContact O-OG1 2.95Å; R197-N201 WeakPolarHBondContact O-CB 3.3Å; R197-N201 PolarHBondContact O-N 3Å; R197-N201 PolarHBondContact O-OD1 2.93Å
198L91.9Very high92.5Very high113 Ų113114.6 Ų114.659%0.59256%0.562SS**Hα-helixtrans-65-42.3175.7-68.9175.4000111.7M194 S195 R196 N201 K202M194-L198 WeakPolarHBondContact O-CG 3.42Å; M194-L198 PolarHBondContact O-N 3.29Å; S195-L198 PolarHBondContact O-N 3.24Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 3.36Å; L198-N201 PolarHBondContact O-N 3Å; L198-K202 WeakPolarHBondContact O-CB 3.43Å; L198-K202 WeakPolarHBondContact O-CG 3.41Å; L198-K202 PolarHBondContact O-N 3.33Å
199M92.8Very high93Very high136 Ų136109.7 Ų109.767%0.6755%0.549SS*.Hα-helixtrans-63-44.4175.6-92.3-63.5-162.100112.3S195 R196 N201 K202 L203S195-M199 PolarHBondContact O-N 3Å; R196-M199 PolarHBondContact O-N 3.15Å; M199-N201 VanDerWaalsContact C-N 3.34Å; M199-N201 PolarHBondContact O-N 3.48Å; M199-K202 PolarHBondContact O-N 2.92Å; M199-L203 WeakPolarHBondContact O-CB 3.48Å; M199-L203 PolarHBondContact O-N 3.03Å
200T93.8Very high93.3Very high72 Ų72107.7 Ų107.744%0.44255%0.545SS..Hα-helixtrans-62.6-41.9176.852.20000111.7R196 R197 L203 L204R196-T200 PolarHBondContact O-N 3.28Å; R196-T200 PolarHBondContact O-OG1 3.34Å; R197-T200 WeakPolarHBondContact CA-OG1 3.43Å; R197-T200 PolarHBondContact O-N 3.36Å; R197-T200 PolarHBondContact O-OG1 2.95Å; T200-L203 PolarHBondContact O-N 2.95Å; T200-L204 WeakPolarHBondContact O-CG 3.39Å; T200-L204 PolarHBondContact O-N 3.47Å
201N95.1Very high93.7Very high102 Ų102109.2 Ų109.255%0.54555%0.552SS.*Hα-helixtrans-65.5-41.1178.3-69.94.8000111.8R197 L198 M199 L204 L205R197-N201 WeakPolarHBondContact O-CB 3.3Å; R197-N201 PolarHBondContact O-N 3Å; R197-N201 PolarHBondContact O-OD1 2.93Å; L198-N201 PolarHBondContact O-N 3Å; M199-N201 VanDerWaalsContact C-N 3.34Å; M199-N201 PolarHBondContact O-N 3.48Å; N201-L204 PolarHBondContact O-N 3.47Å; N201-L205 WeakPolarHBondContact O-CB 3.37Å; N201-L205 PolarHBondContact O-N 3.41Å
202K95.5Very high94.1Very high150 Ų150109.6 Ų109.665%0.65255%0.55SS**Hα-helixtrans-63.6-41.6174.5-77.3-173.4174.8-171.10112.3L198 M199 L205 A206L198-K202 WeakPolarHBondContact O-CB 3.43Å; L198-K202 WeakPolarHBondContact O-CG 3.41Å; L198-K202 PolarHBondContact O-N 3.33Å; M199-K202 PolarHBondContact O-N 2.92Å; K202-L205 PolarHBondContact O-N 3.46Å; K202-A206 PolarHBondContact O-N 3.12Å
203L95.1Very high94.4Very high121 Ų121107.2 Ų107.263%0.63455%0.549SS*.Hα-helixtrans-63.5-46.9177.1-172.380.5000111.1M199 T200 L205 A206 V207M199-L203 WeakPolarHBondContact O-CB 3.48Å; M199-L203 PolarHBondContact O-N 3.03Å; T200-L203 PolarHBondContact O-N 2.95Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3Å; L203-A206 PolarHBondContact O-N 3.33Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 3.44Å
204L95.2Very high94.6Very high105 Ų105107.1 Ų107.155%0.5555%0.553SS.*Hα-helixtrans-59.5-43.8176.9-74177.1000111.6T200 N201 A206 V207 I208T200-L204 WeakPolarHBondContact O-CG 3.39Å; T200-L204 PolarHBondContact O-N 3.47Å; N201-L204 PolarHBondContact O-N 3.47Å; L204-A206 VanDerWaalsContact C-N 3.35Å; L204-A206 PolarHBondContact O-N 3.05Å; L204-V207 PolarHBondContact O-N 3.28Å; L204-I208 WeakPolarHBondContact O-CG1 3.37Å; L204-I208 PolarHBondContact O-N 3.46Å
205L95.8Very high94.8Very high104 Ų104106.6 Ų106.655%0.54555%0.551SS.*Hα-helixtrans-59.7-44.6175.9-176.368.9000111.7N201 K202 L203 V207 I208 I209N201-L205 WeakPolarHBondContact O-CB 3.37Å; N201-L205 PolarHBondContact O-N 3.41Å; K202-L205 PolarHBondContact O-N 3.46Å; L203-L205 VanDerWaalsContact C-N 3.32Å; L203-L205 PolarHBondContact O-N 3Å; L205-V207 VanDerWaalsContact C-N 3.34Å; L205-V207 PolarHBondContact O-N 3.43Å; L205-I208 PolarHBondContact O-N 3.21Å; L205-I209 HydrophobicContact CG-CD1 4.12Å; L205-I209 WeakPolarHBondContact O-CG1 3.45Å; L205-I209 PolarHBondContact O-N 3.01Å; L205-I209 VanDerWaalsContact O-N 3.12Å
206A96.3Very high95.1Very high48 Ų48108.5 Ų108.540%0.39756%0.555SS.*Hα-helixtrans-62.9-39.7178.200000112.4K202 L203 L204 I209 L210K202-A206 PolarHBondContact O-N 3.12Å; L203-A206 PolarHBondContact O-N 3.33Å; L204-A206 VanDerWaalsContact C-N 3.35Å; L204-A206 PolarHBondContact O-N 3.05Å; A206-I209 PolarHBondContact O-N 2.98Å; A206-L210 WeakPolarHBondContact O-CG 3.37Å; A206-L210 PolarHBondContact O-N 3.46Å
207V96.9Very high95.3Very high82 Ų82103.1 Ų103.150%0.49755%0.547SS..Hα-helixtrans-64.5-42.3176.9171.70000111.5L203 L204 L205 L210 M211L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 3.44Å; L204-V207 PolarHBondContact O-N 3.28Å; L205-V207 VanDerWaalsContact C-N 3.34Å; L205-V207 PolarHBondContact O-N 3.43Å; V207-L210 PolarHBondContact O-N 3.4Å; V207-M211 PolarHBondContact O-N 3.06Å
208I96.8Very high95.3Very high93 Ų9397.1 Ų97.148%0.47754%0.535SS..Hα-helixtrans-61.1-48.1177.7-67.6165.8000110.5L204 L205 L210 M211 E212L204-I208 WeakPolarHBondContact O-CG1 3.37Å; L204-I208 PolarHBondContact O-N 3.46Å; L205-I208 PolarHBondContact O-N 3.21Å; I208-L210 VanDerWaalsContact C-N 3.35Å; I208-L210 PolarHBondContact O-N 3.38Å; I208-M211 PolarHBondContact O-N 3.47Å; I208-M211 VanDerWaalsContact O-N 3.15Å; I208-E212 PolarHBondContact O-N 3.15Å
209I96.8Very high95.4Very high81 Ų8196 Ų9642%0.41553%0.533SS..Hα-helixtrans-59.8-44.1178.8-66.3167000111.3L205 A206 M211 E212 L213L205-I209 HydrophobicContact CG-CD1 4.12Å; L205-I209 WeakPolarHBondContact O-CG1 3.45Å; L205-I209 PolarHBondContact O-N 3.01Å; L205-I209 VanDerWaalsContact O-N 3.12Å; A206-I209 PolarHBondContact O-N 2.98Å; I209-M211 VanDerWaalsContact C-N 3.32Å; I209-M211 PolarHBondContact O-N 2.96Å; I209-E212 PolarHBondContact O-N 3.29Å; I209-L213 HydrophobicContact CG2-CD1 4.21Å; I209-L213 WeakPolarHBondContact O-CG 3.48Å; I209-L213 PolarHBondContact O-N 3.02Å
210L96.7Very high95.4Very high124 Ų12494.5 Ų94.565%0.64953%0.526SS*.Hα-helixtrans-62.7-39.8177-73.6175.2000112.1A206 V207 I208 G214A206-L210 WeakPolarHBondContact O-CG 3.37Å; A206-L210 PolarHBondContact O-N 3.46Å; V207-L210 PolarHBondContact O-N 3.4Å; I208-L210 VanDerWaalsContact C-N 3.35Å; I208-L210 PolarHBondContact O-N 3.38Å; L210-G214 PolarHBondContact O-N 2.94Å
211M96.5Very high95.3Very high131 Ų13197.8 Ų97.865%0.64553%0.531SS*.Hα-helixtrans-65-44.2177.7-160.4-146-91.900111.2V207 I208 I209 G214 I215V207-M211 PolarHBondContact O-N 3.06Å; I208-M211 PolarHBondContact O-N 3.47Å; I208-M211 VanDerWaalsContact O-N 3.15Å; I209-M211 VanDerWaalsContact C-N 3.32Å; I209-M211 PolarHBondContact O-N 2.96Å; M211-G214 PolarHBondContact O-N 3.03Å; M211-I215 WeakPolarHBondContact O-CG1 3.38Å; M211-I215 PolarHBondContact O-N 3.25Å; M211-I215 HydrophobicContact SD-CD1 4.28Å
212E96.5Very high95.1Very high125 Ų12597.3 Ų97.358%0.58453%0.529SS*.Hα-helixtrans-60.9-45.2177-73.1-176.517000112.1I208 I209 G214 I215 L216I208-E212 PolarHBondContact O-N 3.15Å; I209-E212 PolarHBondContact O-N 3.29Å; E212-G214 VanDerWaalsContact C-N 3.3Å; E212-G214 PolarHBondContact O-N 3.03Å; E212-I215 PolarHBondContact O-N 3.46Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 PolarHBondContact O-N 3.22Å
213L96.5Very high94.7Very high108 Ų10898.3 Ų98.357%0.56553%0.533SS*.Hα-helixtrans-61.9-38.2175.8-71.3176.3000112.1I209 L216 G217I209-L213 HydrophobicContact CG2-CD1 4.21Å; I209-L213 WeakPolarHBondContact O-CG 3.48Å; I209-L213 PolarHBondContact O-N 3.02Å; L213-L216 PolarHBondContact O-N 3.41Å; L213-G217 PolarHBondContact O-N 3.38Å
214G95.7Very high94.2Very high46 Ų46100.7 Ų100.747%0.47454%0.538SS..Hα-helixtrans-62.2-45.3175.600000112.6L210 M211 E212 G217 A218L210-G214 PolarHBondContact O-N 2.94Å; M211-G214 PolarHBondContact O-N 3.03Å; E212-G214 VanDerWaalsContact C-N 3.3Å; E212-G214 PolarHBondContact O-N 3.03Å; G214-G217 PolarHBondContact O-N 2.95Å; G214-A218 WeakPolarHBondContact O-CB 3.36Å; G214-A218 PolarHBondContact O-N 3.02Å
215I95.4Very high93.4Very high100 Ų100102.8 Ų102.851%0.51354%0.543SS..Hα-helixtrans-63.7-46.8176.4-64.7167.6000110.3M211 E212 G217 A218 V219M211-I215 WeakPolarHBondContact O-CG1 3.38Å; M211-I215 PolarHBondContact O-N 3.25Å; M211-I215 HydrophobicContact SD-CD1 4.28Å; E212-I215 PolarHBondContact O-N 3.46Å; I215-G217 VanDerWaalsContact C-N 3.33Å; I215-G217 PolarHBondContact O-N 3.44Å; I215-A218 PolarHBondContact O-N 2.95Å; I215-V219 HydrophobicContact CG2-CG2 4.47Å; I215-V219 WeakPolarHBondContact O-CG2 3.32Å; I215-V219 PolarHBondContact O-N 3.49Å
216L94.9Very high91.7Very high110 Ų110108 Ų10858%0.57656%0.556SS**Hα-helixtrans-59.7-44.9179.2-156.293.3000111.3E212 L213 V219 I220E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 PolarHBondContact O-N 3.22Å; L213-L216 PolarHBondContact O-N 3.41Å; L216-V219 PolarHBondContact O-N 3.43Å; L216-I220 HydrophobicContact CD2-CD1 4.28Å; L216-I220 HydrophobicContact CG-CD1 4.39Å; L216-I220 VanDerWaalsContact O-CG1 3.32Å; L216-I220 WeakPolarHBondContact O-CG1 3.4Å; L216-I220 PolarHBondContact O-N 2.89Å
217G94.1Very high89.5Confident38 Ų38117.4 Ų117.439%0.39259%0.588SS.*Hα-helixtrans-61.4-44.417600000112.7L213 G214 I215 V219 I220 Y221L213-G217 PolarHBondContact O-N 3.38Å; G214-G217 PolarHBondContact O-N 2.95Å; I215-G217 VanDerWaalsContact C-N 3.33Å; I215-G217 PolarHBondContact O-N 3.44Å; G217-V219 PolarHBondContact O-N 3.37Å; G217-I220 PolarHBondContact O-N 2.96Å; G217-Y221 WeakPolarHBondContact O-CB 3.47Å; G217-Y221 PolarHBondContact O-N 3.42Å
218A92.8Very high89.1Confident51 Ų51119.2 Ų119.242%0.42159%0.592SS.*Hα-helixtrans-62.4-41.7176.900000112.4G214 I215 Y221 L222G214-A218 WeakPolarHBondContact O-CB 3.36Å; G214-A218 PolarHBondContact O-N 3.02Å; I215-A218 PolarHBondContact O-N 2.95Å; A218-Y221 PolarHBondContact O-N 3.48Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 WeakPolarHBondContact O-CG 3.3Å; A218-L222 PolarHBondContact O-N 3.26Å
219V93.9Very high88.7Confident89 Ų89120.5 Ų120.554%0.53960%0.598SS.*Hα-helixtrans-63.9-44.1176.5171.50000111.2I215 L216 G217 L222 K223I215-V219 HydrophobicContact CG2-CG2 4.47Å; I215-V219 WeakPolarHBondContact O-CG2 3.32Å; I215-V219 PolarHBondContact O-N 3.49Å; L216-V219 PolarHBondContact O-N 3.43Å; G217-V219 PolarHBondContact O-N 3.37Å; V219-L222 PolarHBondContact O-N 2.91Å; V219-K223 VanDerWaalsContact O-CB 3.3Å; V219-K223 WeakPolarHBondContact O-CB 3.34Å; V219-K223 PolarHBondContact O-N 2.91Å
220I92.3Very high88.3Confident104 Ų104122.7 Ų122.753%0.53361%0.608SS.*Hα-helixtrans-63.2-45.8177.3-68.4167.1000110.5L216 G217 L222 K223 F224L216-I220 HydrophobicContact CD2-CD1 4.28Å; L216-I220 HydrophobicContact CG-CD1 4.39Å; L216-I220 VanDerWaalsContact O-CG1 3.32Å; L216-I220 WeakPolarHBondContact O-CG1 3.4Å; L216-I220 PolarHBondContact O-N 2.89Å; G217-I220 PolarHBondContact O-N 2.96Å; I220-L222 PolarHBondContact O-N 3.15Å; I220-K223 PolarHBondContact O-N 3.39Å; I220-F224 WeakPolarHBondContact O-CB 3.38Å; I220-F224 PolarHBondContact O-N 2.9Å
221Y92.8Very high87.8Confident141 Ų141122.6 Ų122.655%0.55361%0.606SS**Hα-helixtrans-59-48.5178.1178.5-99.3000111.6G217 A218 K223 F224 F225G217-Y221 WeakPolarHBondContact O-CB 3.47Å; G217-Y221 PolarHBondContact O-N 3.42Å; A218-Y221 PolarHBondContact O-N 3.48Å; Y221-K223 PolarHBondContact O-N 3.34Å; Y221-F224 PolarHBondContact O-N 3.48Å; Y221-F225 HydrophobicContact CE2-CB 4.36Å; Y221-F225 HydrophobicContact CE2-CD2 4.16Å; Y221-F225 HydrophobicContact CE2-CG 4.26Å; Y221-F225 VanDerWaalsContact O-CB 3.23Å; Y221-F225 WeakPolarHBondContact O-CB 2.97Å; Y221-F225 PolarHBondContact O-N 2.92Å
222L90.3Very high87.2Confident93 Ų93122.1 Ų122.149%0.48760%0.603SS.*Hα-helixtrans-63.8-39.5177.1-72.8174.4000112.3A218 V219 I220 R226A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 WeakPolarHBondContact O-CG 3.3Å; A218-L222 PolarHBondContact O-N 3.26Å; V219-L222 PolarHBondContact O-N 2.91Å; I220-L222 PolarHBondContact O-N 3.15Å; L222-R226 WeakPolarHBondContact O-CB 3.23Å; L222-R226 PolarHBondContact O-N 3.46Å; L222-R226 VanDerWaalsContact O-N 3.15Å
223K88.5Confident86.6Confident170 Ų170121.9 Ų121.974%0.73961%0.605SS**Hα-helixtrans-68-37.2179-176.3179.1177.4-1780112.7V219 I220 Y221V219-K223 VanDerWaalsContact O-CB 3.3Å; V219-K223 WeakPolarHBondContact O-CB 3.34Å; V219-K223 PolarHBondContact O-N 2.91Å; I220-K223 PolarHBondContact O-N 3.39Å; Y221-K223 PolarHBondContact O-N 3.34Å
224F84.3Confident85.9Confident171 Ų171122.9 Ų122.975%0.7561%0.607SS**Hα-helixtrans-86-34.9-175.1-162.1-92.5000112.8I220 Y221I220-F224 WeakPolarHBondContact O-CB 3.38Å; I220-F224 PolarHBondContact O-N 2.9Å; Y221-F224 PolarHBondContact O-N 3.48Å
225F76.9Confident85.1Confident150 Ų150128.8 Ų128.866%0.65862%0.618SS**Hα-helixtrans-95.2-15.3-175.2-139.9-89.4000113.8Y221Y221-F225 HydrophobicContact CE2-CB 4.36Å; Y221-F225 HydrophobicContact CE2-CD2 4.16Å; Y221-F225 HydrophobicContact CE2-CG 4.26Å; Y221-F225 VanDerWaalsContact O-CB 3.23Å; Y221-F225 WeakPolarHBondContact O-CB 2.97Å; Y221-F225 PolarHBondContact O-N 2.92Å
226R60.4Low84.3Confident214 Ų214131.3 Ų131.381%0.80863%0.626SS**  trans-10523.8-178.5-145.9175.9170.3178.9-3113.1L222L222-R226 WeakPolarHBondContact O-CB 3.23Å; L222-R226 PolarHBondContact O-N 3.46Å; L222-R226 VanDerWaalsContact O-N 3.15Å
227K50.5Low83.3Confident244 Ų244133.2 Ų133.2100%1.06163%0.631SS**  trans-125.80171.7-159.8177.5-172.2-173.20108.8

Retrieved 227 of 227 residues in 294.1 ms (Link to these results)

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