A0A096MZC8_PAPAN Loading...

Myotubularin related protein 7

AlphaFold DB (A0A2I3MTD3), UniProt , Accession A0A096MZC8, Species PAPAN (Papio anubis, Olive baboon), Gene MTMR7, Length 660 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
1M59.1Low86.7Confident167 Ų16788.4 Ų88.482%0.82342%0.423SS*.  0-47.80-76.2-68.9-93.200111.6H3 I4M1-H3 PolarHBondContact O-N 3.46Å; M1-I4 PolarHBondContact O-N 3.46Å; M1-I4 HydrophobicContact SD-CD1 4.23Å
2E66.3Low87.5Confident190 Ų19081 Ų8189%0.88839%0.388SS*.THydrogen-bonded Turntrans-53.1-21.8-174.5-59.7-179.5161.200117
3H82.4Confident88Confident79 Ų7981.6 Ų81.637%0.36638%0.384SS..THydrogen-bonded Turntrans-98.90.8178.3-58.2-22.5000114.2M1 S96 R99 L100M1-H3 PolarHBondContact O-N 3.46Å; H3-S96 WeakPolarHBondContact O-CA 3.49Å; H3-S96 WeakPolarHBondContact O-CB 3.41Å; H3-S96 PolarHBondContact O-OG 3.26Å; H3-R99 HydrophobicContact CB-CG 4.08Å; H3-R99 PolarHBondContact CD2-NE 3.32Å; H3-R99 PolarHBondContact NE2-NE 3.32Å; H3-R99 PolarHBondContact NE2-NH2 2.93Å; H3-L100 HydrophobicContact CB-CD2 4.22Å; H3-L100 HydrophobicContact CB-CG 4.44Å
4I89.9Confident88.3Confident22 Ų2277.7 Ų77.711%0.11337%0.366CS..  trans-98.6112-179.2-58.2167000108.6M1 P7 L30 T31 L100M1-I4 PolarHBondContact O-N 3.46Å; M1-I4 HydrophobicContact SD-CD1 4.23Å; I4-P7 HydrophobicContact CG2-CB 3.91Å; I4-L30 HydrophobicContact CG2-CB 3.95Å; I4-T31 WeakPolarHBondContact CD1-O 3.37Å; I4-L100 HydrophobicContact CG1-CD1 3.82Å
5R90.6Very high88.4Confident140 Ų14073.8 Ų73.853%0.52835%0.35SS..SBendtrans-80.3-42.7177.5-65.8-172.9178.9-174.8-0.2112.7D92 S96R5-D92 HydrophobicContact CB-CB 3.75Å; R5-D92 WeakPolarHBondContact CD-OD1 3.5Å; R5-D92 IonicContact CZ-OD1 2.61Å; R5-D92 IonicContact NE-OD1 2.88Å; R5-D92 IonicContact NH1-OD1 3.79Å; R5-D92 PolarHBondContact NH1-OD1 2.99Å; R5-D92 VanDerWaalsContact NH1-OD1 3.1Å; R5-S96 PolarHBondContact N-OG 2.84Å
6T90.9Very high87.7Confident20 Ų2072.2 Ų72.212%0.12334%0.344CS..  trans-128.8101.7179.6-56.50000109.1K8 V9 D92T6-K8 WeakPolarHBondContact CG2-O 3.39Å; T6-V9 HydrophobicContact CG2-CG2 3.62Å; T6-D92 WeakPolarHBondContact OG1-CB 3.46Å
7P92.6Very high86.8Confident68 Ų6872.4 Ų72.444%0.44234%0.341SS..SBendtrans-79.4-16.1-173.431-35.9000113.9I4 Y29 L30I4-P7 HydrophobicContact CG2-CB 3.91Å; P7-Y29 WeakPolarHBondContact O-CA 3.31Å; P7-L30 PolarHBondContact O-N 3.37Å
8K96.2Very high85.7Confident91 Ų9172.6 Ų72.640%0.39635%0.347SS..EExtended strand (participates in β ladder)trans-144.9132.6-179.3-177.3-173.4177.5-163.40109.7T6 E10 T27 L28 Y29T6-K8 WeakPolarHBondContact CG2-O 3.39Å; K8-E10 WeakPolarHBondContact CE-OE1 3.41Å; K8-E10 IonicContact NZ-OE1 2.56Å; K8-E10 PolarHBondContact NZ-OE1 3.34Å; K8-T27 HydrophobicContact CD-CG2 4.32Å; K8-T27 HydrophobicContact CG-CG2 3.77Å; K8-L28 CarbonylContact C-O 3.46Å; K8-L28 WeakPolarHBondContact CA-O 3.48Å; K8-Y29 HydrophobicContact CB-CD1 4.18Å; K8-Y29 HydrophobicContact CB-CE1 4.32Å; K8-Y29 HydrophobicContact CD-CD1 4.44Å; K8-Y29 HydrophobicContact CD-CE1 3.75Å; K8-Y29 HydrophobicContact CG-CD1 3.95Å; K8-Y29 HydrophobicContact CG-CE1 3.67Å
9V96.4Very high84.8Confident5 Ų570.9 Ų70.93%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-131.8121.6172.3-171.10000108.9T6 V12 T27 L28 I84 D89 V93T6-V9 HydrophobicContact CG2-CG2 3.62Å; V9-V12 HydrophobicContact CB-CG2 3.87Å; V9-V12 HydrophobicContact CG1-CG2 3.62Å; V9-T27 WeakPolarHBondContact O-CA 3.33Å; V9-L28 HydrophobicContact CB-CB 4.4Å; V9-L28 PolarHBondContact N-O 3.4Å; V9-L28 PolarHBondContact O-N 3.41Å; V9-I84 HydrophobicContact CG1-CG2 3.96Å; V9-D89 HydrophobicContact CG1-CB 4.04Å; V9-D89 HydrophobicContact CG2-CB 4.15Å; V9-V93 HydrophobicContact CG2-CG2 3.81Å
10E95.5Very high83.8Confident105 Ų10571.7 Ų71.749%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-89.9162.2179.8-64.2-175.8165.900112K8 V12 T27K8-E10 WeakPolarHBondContact CE-OE1 3.41Å; K8-E10 IonicContact NZ-OE1 2.56Å; K8-E10 PolarHBondContact NZ-OE1 3.34Å; E10-V12 PolarHBondContact O-N 3.25Å; E10-T27 HydrophobicContact CG-CG2 4.05Å
11N94.3Very high82.8Confident85 Ų8578.2 Ų78.246%0.45538%0.381SS..EExtended strand (participates in β ladder)trans58.626.5177.3-53.9-63.1000114.2L25 G26 P85N11-L25 HydrophobicContact CB-CD1 4.26Å; N11-G26 PolarHBondContact N-O 3.19Å; N11-G26 VanDerWaalsContact N-O 3.11Å; N11-P85 HydrophobicContact CB-CG 4.16Å; N11-P85 VanDerWaalsContact O-CG 3.24Å; N11-P85 WeakPolarHBondContact O-CG 3.16Å
12V95.7Very high83.3Confident0 Ų078 Ų780%038%0.376CS..EExtended strand (participates in β ladder)trans-72.2139.7172.61790000108.7V9 E10 G26 L28 F37 L82 I84V9-V12 HydrophobicContact CB-CG2 3.87Å; V9-V12 HydrophobicContact CG1-CG2 3.62Å; E10-V12 PolarHBondContact O-N 3.25Å; V12-G26 PolarHBondContact N-O 2.9Å; V12-G26 PolarHBondContact O-N 2.87Å; V12-L28 HydrophobicContact CB-CB 4.29Å; V12-L28 HydrophobicContact CG1-CB 4.45Å; V12-L28 HydrophobicContact CG2-CB 3.88Å; V12-F37 HydrophobicContact CB-CE2 4.18Å; V12-F37 HydrophobicContact CG1-CD2 4.42Å; V12-F37 HydrophobicContact CG1-CE2 4.18Å; V12-F37 WeakPolarHBondContact O-CE2 3.28Å; V12-L82 HydrophobicContact CG1-CB 4.06Å; V12-L82 HydrophobicContact CG1-CD2 4.02Å; V12-L82 HydrophobicContact CG1-CG 4.48Å; V12-I84 HydrophobicContact CG1-CG1 4.16Å; V12-I84 HydrophobicContact CG2-CG1 4.19Å
13R94.4Very high84.1Confident89 Ų8970.8 Ų70.834%0.33635%0.348SS..EExtended strand (participates in β ladder)trans-104.5122.1174.6-76.3-179.1-76.7-161.9-13.4111.1A23 A24 L25 T66 L82 I83R13-A23 HydrophobicContact CB-CB 4.26Å; R13-A24 CarbonylContact C-O 3.51Å; R13-A24 VanDerWaalsContact CA-O 3.3Å; R13-A24 WeakPolarHBondContact CA-O 3.32Å; R13-L25 HydrophobicContact CG-CD1 3.81Å; R13-T66 PolarHBondContact NH2-O 3.48Å; R13-L82 CarbonylContact O-C 3.33Å; R13-L82 WeakPolarHBondContact O-CA 3.4Å; R13-I83 HydrophobicContact CB-CB 4.26Å; R13-I83 PolarHBondContact N-O 3.29Å; R13-I83 PolarHBondContact O-N 2.93Å
14L92.4Very high84.5Confident27 Ų2767.8 Ų67.814%0.14134%0.337CS..EExtended strand (participates in β ladder)trans-88.1116.5168.5173.962.9000108.9A23 A24 F37 I80 L82L14-A23 CarbonylContact O-C 3.51Å; L14-A23 VanDerWaalsContact O-CA 3.26Å; L14-A23 WeakPolarHBondContact O-CA 3.48Å; L14-A24 HydrophobicContact CB-CB 4.36Å; L14-A24 PolarHBondContact N-O 2.93Å; L14-A24 PolarHBondContact O-N 3.37Å; L14-F37 HydrophobicContact CB-CD1 4.03Å; L14-F37 HydrophobicContact CB-CD2 4.43Å; L14-F37 HydrophobicContact CB-CE1 3.6Å; L14-F37 HydrophobicContact CB-CE2 4.03Å; L14-F37 HydrophobicContact CB-CG 4.42Å; L14-F37 HydrophobicContact CB-CZ 3.59Å; L14-F37 HydrophobicContact CD2-CD1 3.71Å; L14-F37 HydrophobicContact CD2-CE1 3.86Å; L14-F37 HydrophobicContact CD2-CG 4.43Å; L14-F37 HydrophobicContact CG-CD1 4.5Å; L14-F37 HydrophobicContact CG-CE1 4.39Å; L14-I80 HydrophobicContact CD1-CG2 3.76Å; L14-L82 HydrophobicContact CB-CD2 4.18Å; L14-L82 HydrophobicContact CD1-CD2 3.88Å
15V88.9Confident84.6Confident19 Ų1970.4 Ų70.412%0.11535%0.351CS..EExtended strand (participates in β ladder)trans-91.2126.2-176.5-174.20000110.1P20 A23 Q81 I83V15-P20 HydrophobicContact CG1-CB 3.94Å; V15-A23 HydrophobicContact CG2-CB 4.38Å; V15-Q81 HydrophobicContact CB-CB 4.25Å; V15-Q81 HydrophobicContact CB-CG 4.45Å; V15-Q81 PolarHBondContact N-O 3.44Å; V15-I83 HydrophobicContact CG2-CD1 3.6Å; V15-I83 HydrophobicContact CG2-CG1 3.83Å
16D77.4Confident84.8Confident48 Ų4863.8 Ų63.826%0.25733%0.326SS..PPolyproline II helixtrans-74.4127.3169.3-173.3-46.8000109.9V18 S19 P20D16-V18 VanDerWaalsContact C-N 3.3Å; D16-V18 PolarHBondContact O-N 3.2Å; D16-V18 WeakPolarHBondContact OD1-CA 3.28Å; D16-V18 PolarHBondContact OD1-N 3.3Å; D16-S19 CarbonylContact O-C 3.43Å; D16-S19 VanDerWaalsContact O-C 3.29Å; D16-S19 PolarHBondContact O-N 2.94Å; D16-S19 PolarHBondContact OD1-N 2.93Å; D16-P20 WeakPolarHBondContact O-CA 3.21Å; D16-P20 VanDerWaalsContact O-N 3.15Å
17R72.4Confident85.1Confident76 Ų7663.3 Ų63.329%0.28732%0.323SS..SBendtrans-64.4-32.5-177-145.8-169.681.1-165.2-1.4112.8C290 E508R17-C290 VanDerWaalsContact CZ-O 3.3Å; R17-C290 PolarHBondContact NH1-O 3.44Å; R17-C290 PolarHBondContact NH2-O 3.27Å; R17-E508 IonicContact CZ-OE1 3.33Å; R17-E508 IonicContact NH1-OE1 2.62Å; R17-E508 PolarHBondContact NH1-OE1 3.26Å; R17-E508 VanDerWaalsContact NH1-OE1 3.15Å; R17-E508 IonicContact NH2-OE1 2.74Å; R17-E508 PolarHBondContact NH2-OE1 3.29Å
18V67.4Low85.3Confident75 Ų7560.1 Ų60.146%0.45530%0.303SS..SBendtrans-89.4-33.3-179.5-171.60000110.9D16D16-V18 VanDerWaalsContact C-N 3.3Å; D16-V18 PolarHBondContact O-N 3.2Å; D16-V18 WeakPolarHBondContact OD1-CA 3.28Å; D16-V18 PolarHBondContact OD1-N 3.3Å
19S67.5Low85.3Confident42 Ų4259.9 Ų59.929%0.29430%0.3SS..  trans-127.774.2178.7-153.10000112.6D16 K21 K22D16-S19 CarbonylContact O-C 3.43Å; D16-S19 VanDerWaalsContact O-C 3.29Å; D16-S19 PolarHBondContact O-N 2.94Å; D16-S19 PolarHBondContact OD1-N 2.93Å; S19-K21 PolarHBondContact O-N 3.12Å; S19-K22 PolarHBondContact O-N 3.38Å
20P65.6Low85.3Confident86 Ų8660 Ų6056%0.55830%0.3SS*.THydrogen-bonded Turntrans-63.1-12.7-177.324.2-34.9000114.2V15 D16 K22V15-P20 HydrophobicContact CG1-CB 3.94Å; D16-P20 WeakPolarHBondContact O-CA 3.21Å; D16-P20 VanDerWaalsContact O-N 3.15Å; P20-K22 VanDerWaalsContact C-N 3.32Å
21K63.7Low85.1Confident208 Ų20857.1 Ų57.190%0.90429%0.29SS*.THydrogen-bonded Turntrans-75.3-16.6171-63.8-174.6179.9-179.60113.5S19S19-K21 PolarHBondContact O-N 3.12Å
22K69.4Low84.7Confident163 Ų16355.9 Ų55.971%0.70929%0.292SS*.  trans-106.556.2177.9-66.7-174.3175.7-176.10110.9S19 P20 A24S19-K22 PolarHBondContact O-N 3.38Å; P20-K22 VanDerWaalsContact C-N 3.32Å; K22-A24 PolarHBondContact O-N 3.2Å
23A83.1Confident84.5Confident38 Ų3857.4 Ų57.431%0.31430%0.301SS..PPolyproline II helixtrans-74.2121.4173.900000110.2R13 L14 V15R13-A23 HydrophobicContact CB-CB 4.26Å; L14-A23 CarbonylContact O-C 3.51Å; L14-A23 VanDerWaalsContact O-CA 3.26Å; L14-A23 WeakPolarHBondContact O-CA 3.48Å; V15-A23 HydrophobicContact CG2-CB 4.38Å
24A89.4Confident84.4Confident17 Ų1754.3 Ų54.314%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-72.5127.4175.900000109.7R13 L14 K22 F37 E39R13-A24 CarbonylContact C-O 3.51Å; R13-A24 VanDerWaalsContact CA-O 3.3Å; R13-A24 WeakPolarHBondContact CA-O 3.32Å; L14-A24 HydrophobicContact CB-CB 4.36Å; L14-A24 PolarHBondContact N-O 2.93Å; L14-A24 PolarHBondContact O-N 3.37Å; K22-A24 PolarHBondContact O-N 3.2Å; A24-F37 HydrophobicContact CB-CE1 4.26Å; A24-F37 HydrophobicContact CB-CZ 4.48Å; A24-F37 WeakPolarHBondContact O-CZ 3.44Å; A24-E39 HydrophobicContact CB-CG 4.06Å; A24-E39 VanDerWaalsContact CB-OE1 3.24Å; A24-E39 WeakPolarHBondContact CB-OE1 3.41Å
25L92.9Very high84.6Confident77 Ų7753.1 Ų53.140%0.40328%0.284SS..EExtended strand (participates in β ladder)trans-87.3136.9173.4-173.169.3000109.2N11 R13 N40N11-L25 HydrophobicContact CB-CD1 4.26Å; R13-L25 HydrophobicContact CG-CD1 3.81Å; L25-N40 PolarHBondContact O-N 3.18Å
26G94.8Very high84.9Confident0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-165.5-170.2-175.600000114.6N11 V12 V38N11-G26 PolarHBondContact N-O 3.19Å; N11-G26 VanDerWaalsContact N-O 3.11Å; V12-G26 PolarHBondContact N-O 2.9Å; V12-G26 PolarHBondContact O-N 2.87Å; G26-V38 CarbonylContact C-O 3.46Å; G26-V38 WeakPolarHBondContact CA-O 3.47Å
27T96.3Very high85.8Confident11 Ų1151 Ų517%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-115.6129.1175.2-53.70000109.7K8 V9 E10 Y29 V38K8-T27 HydrophobicContact CD-CG2 4.32Å; K8-T27 HydrophobicContact CG-CG2 3.77Å; V9-T27 WeakPolarHBondContact O-CA 3.33Å; E10-T27 HydrophobicContact CG-CG2 4.05Å; T27-Y29 HydrophobicContact CG2-CD2 4.15Å; T27-Y29 HydrophobicContact CG2-CE1 4.13Å; T27-Y29 HydrophobicContact CG2-CE2 3.49Å; T27-Y29 VanDerWaalsContact CG2-CE2 3.49Å; T27-Y29 VanDerWaalsContact CG2-CZ 3.47Å; T27-V38 PolarHBondContact N-O 2.93Å; T27-V38 PolarHBondContact O-N 3.3Å
28L97.2Very high86.9Confident1 Ų148.2 Ų48.21%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-93.8131.1174.6-169.872.7000109.7K8 V9 V12 L30 V35 I36 F37 L82 I84 V93K8-L28 CarbonylContact C-O 3.46Å; K8-L28 WeakPolarHBondContact CA-O 3.48Å; V9-L28 HydrophobicContact CB-CB 4.4Å; V9-L28 PolarHBondContact N-O 3.4Å; V9-L28 PolarHBondContact O-N 3.41Å; V12-L28 HydrophobicContact CB-CB 4.29Å; V12-L28 HydrophobicContact CG1-CB 4.45Å; V12-L28 HydrophobicContact CG2-CB 3.88Å; L28-L30 HydrophobicContact CD2-CD1 3.98Å; L28-L30 HydrophobicContact CG-CD1 4.07Å; L28-V35 HydrophobicContact CD1-CG1 3.54Å; L28-V35 HydrophobicContact CG-CG1 4.31Å; L28-I36 CarbonylContact C-O 3.38Å; L28-F37 HydrophobicContact CD1-CB 4.17Å; L28-F37 HydrophobicContact CD1-CD2 4.4Å; L28-L82 HydrophobicContact CD1-CD1 3.72Å; L28-L82 HydrophobicContact CD2-CD1 3.95Å; L28-L82 HydrophobicContact CG-CD1 4.5Å; L28-I84 HydrophobicContact CD2-CD1 4.4Å; L28-V93 HydrophobicContact CD2-CG1 4.16Å; L28-V93 HydrophobicContact CD2-CG2 4.38Å
29Y96.8Very high88.1Confident85 Ų8547.2 Ų47.233%0.33325%0.253SS..EExtended strand (participates in β ladder)trans-119.5136.5174.3-60.6-91.4000109.8P7 K8 T27 I36 V38P7-Y29 WeakPolarHBondContact O-CA 3.31Å; K8-Y29 HydrophobicContact CB-CD1 4.18Å; K8-Y29 HydrophobicContact CB-CE1 4.32Å; K8-Y29 HydrophobicContact CD-CD1 4.44Å; K8-Y29 HydrophobicContact CD-CE1 3.75Å; K8-Y29 HydrophobicContact CG-CD1 3.95Å; K8-Y29 HydrophobicContact CG-CE1 3.67Å; T27-Y29 HydrophobicContact CG2-CD2 4.15Å; T27-Y29 HydrophobicContact CG2-CE1 4.13Å; T27-Y29 HydrophobicContact CG2-CE2 3.49Å; T27-Y29 VanDerWaalsContact CG2-CE2 3.49Å; T27-Y29 VanDerWaalsContact CG2-CZ 3.47Å; Y29-I36 PolarHBondContact N-O 3.42Å; Y29-I36 PolarHBondContact O-N 3.43Å; Y29-V38 HydrophobicContact CD2-CG2 3.98Å; Y29-V38 HydrophobicContact CE2-CB 4.26Å; Y29-V38 HydrophobicContact CE2-CG2 3.8Å
30L95.2Very high89Confident7 Ų749.3 Ų49.34%0.03726%0.261CS..EExtended strand (participates in β ladder)trans-109.8122.7171.2-85.269.3000108.6I4 P7 L28 V93 L97I4-L30 HydrophobicContact CG2-CB 3.95Å; P7-L30 PolarHBondContact O-N 3.37Å; L28-L30 HydrophobicContact CD2-CD1 3.98Å; L28-L30 HydrophobicContact CG-CD1 4.07Å; L30-V93 HydrophobicContact CD1-CG1 4.17Å; L30-V93 HydrophobicContact CD1-CG2 4.08Å; L30-V93 HydrophobicContact CD2-CG1 4.26Å; L30-V93 HydrophobicContact CD2-CG2 4.39Å; L30-L97 HydrophobicContact CD2-CD2 3.74Å; L30-L97 HydrophobicContact CD2-CG 4.14Å; L30-L97 HydrophobicContact CG-CD2 4.01Å
31T92.3Very high89.7Confident45 Ų4547.1 Ų47.128%0.27625%0.248SC..  trans-110.6179.1172.969.60000110I4 T33 H34 I36 H52I4-T31 WeakPolarHBondContact CD1-O 3.37Å; T31-T33 PolarHBondContact O-N 2.59Å; T31-T33 PolarHBondContact OG1-N 3.07Å; T31-H34 PolarHBondContact N-O 3.39Å; T31-H34 WeakPolarHBondContact OG1-CA 3.41Å; T31-H34 PolarHBondContact OG1-N 3.49Å; T31-H34 PolarHBondContact OG1-O 2.88Å; T31-I36 HydrophobicContact CG2-CD1 3.96Å; T31-H52 PolarHBondContact O-NE2 3.23Å
32A86.9Confident89.9Confident60 Ų6043.1 Ų43.150%0.49624%0.244SC..SBendtrans-65.2-21176.300000113.8H52A32-H52 PolarHBondContact O-CD2 2.88Å
33T89.4Confident89.9Confident32 Ų3242.3 Ų42.320%0.19625%0.247CC..SBendtrans-126-25.5-170.950.90000113.8T31 L51 H52 Y110T31-T33 PolarHBondContact O-N 2.59Å; T31-T33 PolarHBondContact OG1-N 3.07Å; T33-L51 WeakPolarHBondContact O-CA 3.34Å; T33-H52 PolarHBondContact O-CD2 3.43Å; T33-H52 PolarHBondContact O-N 3.01Å; T33-Y110 HydrophobicContact CG2-CD2 3.47Å; T33-Y110 VanDerWaalsContact CG2-CD2 3.47Å; T33-Y110 HydrophobicContact CG2-CE2 4Å; T33-Y110 HydrophobicContact CG2-CG 4.16Å
34H93.9Very high89.4Confident24 Ų2445 Ų4511%0.11126%0.259CS..EExtended strand (participates in β ladder)trans-133.2149.3-175.4-59.580.2000114T31 I36 W49 I50 L51 H52 Y110T31-H34 PolarHBondContact N-O 3.39Å; T31-H34 WeakPolarHBondContact OG1-CA 3.41Å; T31-H34 PolarHBondContact OG1-N 3.49Å; T31-H34 PolarHBondContact OG1-O 2.88Å; H34-I36 HydrophobicContact CB-CD1 4.37Å; H34-I36 HydrophobicContact CB-CG1 3.91Å; H34-W49 HydrophobicContact CB-CE3 4.38Å; H34-W49 AromaticContact CD2-CE3 3.71Å; H34-W49 AromaticContact CG-CE3 3.98Å; H34-I50 CarbonylContact C-O 3.5Å; H34-I50 WeakPolarHBondContact CA-O 3.44Å; H34-L51 VanDerWaalsContact CE1-CD2 3.47Å; H34-L51 WeakPolarHBondContact CE1-CD2 3.37Å; H34-L51 WeakPolarHBondContact NE2-CD2 3.25Å; H34-H52 PolarHBondContact N-NE2 3.44Å; H34-H52 PolarHBondContact O-CE1 3.25Å; H34-Y110 AromaticContact CE1-CZ 3.87Å
35V95.5Very high88.9Confident2 Ų253.5 Ų53.51%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-89130.6151.3-171.90000108.1L28 I50 I55 L97L28-V35 HydrophobicContact CD1-CG1 3.54Å; L28-V35 HydrophobicContact CG-CG1 4.31Å; V35-I50 HydrophobicContact CB-CB 4.19Å; V35-I50 HydrophobicContact CB-CD1 4.19Å; V35-I50 HydrophobicContact CB-CG1 4.39Å; V35-I50 HydrophobicContact CG1-CD1 4.38Å; V35-I50 PolarHBondContact N-O 3.02Å; V35-I50 PolarHBondContact O-N 3Å; V35-I55 HydrophobicContact CG2-CD1 4.22Å; V35-L97 HydrophobicContact CG2-CD1 4.11Å; V35-L97 HydrophobicContact CG2-CD2 3.39Å; V35-L97 HydrophobicContact CG2-CG 4.41Å
36I96.3Very high88.6Confident16 Ų1655 Ų558%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-128118.5179.8-51.6169.8000108.4L28 Y29 T31 H34 V38 T48 W49L28-I36 CarbonylContact C-O 3.38Å; Y29-I36 PolarHBondContact N-O 3.42Å; Y29-I36 PolarHBondContact O-N 3.43Å; T31-I36 HydrophobicContact CG2-CD1 3.96Å; H34-I36 HydrophobicContact CB-CD1 4.37Å; H34-I36 HydrophobicContact CB-CG1 3.91Å; I36-V38 HydrophobicContact CG2-CG2 4.1Å; I36-T48 WeakPolarHBondContact CA-O 3.41Å; I36-W49 HydrophobicContact CD1-CD2 4.06Å; I36-W49 HydrophobicContact CD1-CE3 3.79Å; I36-W49 HydrophobicContact CD1-CH2 3.64Å; I36-W49 HydrophobicContact CD1-CZ2 3.9Å; I36-W49 HydrophobicContact CD1-CZ3 3.58Å; I36-W49 HydrophobicContact CG1-CD2 3.87Å; I36-W49 HydrophobicContact CG1-CE3 3.87Å; I36-W49 HydrophobicContact CG1-CG 4.36Å; I36-W49 HydrophobicContact CG1-CZ3 4.21Å; I36-W49 HydrophobicContact CG2-CD2 4.18Å; I36-W49 HydrophobicContact CG2-CG 4.3Å; I36-W49 HydrophobicContact CG2-CZ2 4.31Å
37F95.9Very high88.5Confident7 Ų757.9 Ų57.93%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-102.8123.3170.9177.5-92.7000109.5V12 L14 A24 L28 E39 E47 T48 L82V12-F37 HydrophobicContact CB-CE2 4.18Å; V12-F37 HydrophobicContact CG1-CD2 4.42Å; V12-F37 HydrophobicContact CG1-CE2 4.18Å; V12-F37 WeakPolarHBondContact O-CE2 3.28Å; L14-F37 HydrophobicContact CB-CD1 4.03Å; L14-F37 HydrophobicContact CB-CD2 4.43Å; L14-F37 HydrophobicContact CB-CE1 3.6Å; L14-F37 HydrophobicContact CB-CE2 4.03Å; L14-F37 HydrophobicContact CB-CG 4.42Å; L14-F37 HydrophobicContact CB-CZ 3.59Å; L14-F37 HydrophobicContact CD2-CD1 3.71Å; L14-F37 HydrophobicContact CD2-CE1 3.86Å; L14-F37 HydrophobicContact CD2-CG 4.43Å; L14-F37 HydrophobicContact CG-CD1 4.5Å; L14-F37 HydrophobicContact CG-CE1 4.39Å; A24-F37 HydrophobicContact CB-CE1 4.26Å; A24-F37 HydrophobicContact CB-CZ 4.48Å; A24-F37 WeakPolarHBondContact O-CZ 3.44Å; L28-F37 HydrophobicContact CD1-CB 4.17Å; L28-F37 HydrophobicContact CD1-CD2 4.4Å; F37-E39 HydrophobicContact CE1-CB 4.32Å; F37-E47 CarbonylContact O-C 3.5Å; F37-E47 VanDerWaalsContact O-CA 3.31Å; F37-E47 WeakPolarHBondContact O-CA 3.5Å; F37-T48 PolarHBondContact N-O 2.95Å; F37-T48 PolarHBondContact O-N 3.25Å; F37-L82 HydrophobicContact CD2-CD2 4.19Å
38V94.9Very high88.3Confident17 Ų1758.5 Ų58.510%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-110.6120.3178.4-175.60000108.6G26 T27 Y29 I36 R45 E47G26-V38 CarbonylContact C-O 3.46Å; G26-V38 WeakPolarHBondContact CA-O 3.47Å; T27-V38 PolarHBondContact N-O 2.93Å; T27-V38 PolarHBondContact O-N 3.3Å; Y29-V38 HydrophobicContact CD2-CG2 3.98Å; Y29-V38 HydrophobicContact CE2-CB 4.26Å; Y29-V38 HydrophobicContact CE2-CG2 3.8Å; I36-V38 HydrophobicContact CG2-CG2 4.1Å; V38-R45 HydrophobicContact CG1-CG 4.02Å; V38-E47 HydrophobicContact CG1-CG 4.29Å; V38-E47 HydrophobicContact CG2-CG 4.1Å
39E92.4Very high88.1Confident53 Ų5364.9 Ų64.925%0.24833%0.333CS..EExtended strand (participates in β ladder)trans-74132.9-179.7-172.7165.8-165.500111.2A24 F37 S41 K46A24-E39 HydrophobicContact CB-CG 4.06Å; A24-E39 VanDerWaalsContact CB-OE1 3.24Å; A24-E39 WeakPolarHBondContact CB-OE1 3.41Å; F37-E39 HydrophobicContact CE1-CB 4.32Å; E39-S41 PolarHBondContact O-N 2.88Å; E39-K46 HydrophobicContact CB-CB 4.08Å; E39-K46 PolarHBondContact N-O 3.24Å; E39-K46 WeakPolarHBondContact OE2-CD 3.28Å
40N86.8Confident88Confident86 Ų8661.2 Ų61.246%0.4632%0.319SS..  trans-81.861177.9-68.5-1.8000110.2L25L25-N40 PolarHBondContact O-N 3.18Å
41S80.1Confident88Confident40 Ų4061.5 Ų61.528%0.2832%0.32SS..  trans-102.4131.2175.6170.50000110.2E39 D43 T44E39-S41 PolarHBondContact O-N 2.88Å; S41-D43 VanDerWaalsContact C-N 3.34Å; S41-D43 PolarHBondContact O-N 2.56Å; S41-T44 WeakPolarHBondContact CB-O 3.41Å; S41-T44 PolarHBondContact OG-OG1 2.96Å
42P67.6Low88.1Confident125 Ų12559.6 Ų59.681%0.81231%0.308SS*.SBendtrans-70.3-29.3-177.128-34000113.2
43D71.3Confident88.4Confident145 Ų14557.4 Ų57.478%0.77529%0.289SS*.SBendtrans-99.4-21.5-171.2-54.3-52.3000113.4S41S41-D43 VanDerWaalsContact C-N 3.34Å; S41-D43 PolarHBondContact O-N 2.56Å
44T71.8Confident88.6Confident94 Ų9456 Ų5658%0.57728%0.28SS*.  trans-147.8114.3-177.840.60000112.2S41 K46S41-T44 WeakPolarHBondContact CB-O 3.41Å; S41-T44 PolarHBondContact OG-OG1 2.96Å; T44-K46 PolarHBondContact O-N 3.47Å
45R79.3Confident88.6Confident196 Ų19655.1 Ų55.174%0.7428%0.276SS*.  trans-75.590173.4-177.9175.6167.5169.1-5.6110.3V38 E47V38-R45 HydrophobicContact CG1-CG 4.02Å; R45-E47 HydrophobicContact CG-CG 4.36Å; R45-E47 IonicContact CZ-OE1 2.85Å; R45-E47 IonicContact NE-OE1 3.32Å; R45-E47 PolarHBondContact NE-OE1 3.3Å; R45-E47 IonicContact NH2-OE1 2.83Å; R45-E47 PolarHBondContact NH2-OE1 2.88Å
46K87.2Confident88.5Confident108 Ų10858.2 Ų58.247%0.4730%0.298SS..  trans-88.5132.3176.4-164.2-174.6-158161.70110.6E39 T44E39-K46 HydrophobicContact CB-CB 4.08Å; E39-K46 PolarHBondContact N-O 3.24Å; E39-K46 WeakPolarHBondContact OE2-CD 3.28Å; T44-K46 PolarHBondContact O-N 3.47Å
47E91.9Very high88.4Confident61 Ų6160.2 Ų60.229%0.28531%0.311SS..EExtended strand (participates in β ladder)trans-123.3145.7179.3-53.6-166.5155.900111.3F37 V38 R45 W49F37-E47 CarbonylContact O-C 3.5Å; F37-E47 VanDerWaalsContact O-CA 3.31Å; F37-E47 WeakPolarHBondContact O-CA 3.5Å; V38-E47 HydrophobicContact CG1-CG 4.29Å; V38-E47 HydrophobicContact CG2-CG 4.1Å; R45-E47 HydrophobicContact CG-CG 4.36Å; R45-E47 IonicContact CZ-OE1 2.85Å; R45-E47 IonicContact NE-OE1 3.32Å; R45-E47 PolarHBondContact NE-OE1 3.3Å; R45-E47 IonicContact NH2-OE1 2.83Å; R45-E47 PolarHBondContact NH2-OE1 2.88Å; E47-W49 WeakPolarHBondContact OE2-CZ2 3.3Å; E47-W49 PolarHBondContact OE2-NE1 3.18Å
48T91.5Very high88.4Confident24 Ų2460.7 Ų60.715%0.14731%0.314CS..EExtended strand (participates in β ladder)trans-123.7116172.4-58.60000108.2I36 F37 I80I36-T48 WeakPolarHBondContact CA-O 3.41Å; F37-T48 PolarHBondContact N-O 2.95Å; F37-T48 PolarHBondContact O-N 3.25Å; T48-I80 HydrophobicContact CG2-CD1 3.92Å
49W93.9Very high88.4Confident136 Ų13663.8 Ų63.852%0.51533%0.327SS..EExtended strand (participates in β ladder)trans-107.8131.6-176.1-68.960.5000109.5H34 I36 E47H34-W49 HydrophobicContact CB-CE3 4.38Å; H34-W49 AromaticContact CD2-CE3 3.71Å; H34-W49 AromaticContact CG-CE3 3.98Å; I36-W49 HydrophobicContact CD1-CD2 4.06Å; I36-W49 HydrophobicContact CD1-CE3 3.79Å; I36-W49 HydrophobicContact CD1-CH2 3.64Å; I36-W49 HydrophobicContact CD1-CZ2 3.9Å; I36-W49 HydrophobicContact CD1-CZ3 3.58Å; I36-W49 HydrophobicContact CG1-CD2 3.87Å; I36-W49 HydrophobicContact CG1-CE3 3.87Å; I36-W49 HydrophobicContact CG1-CG 4.36Å; I36-W49 HydrophobicContact CG1-CZ3 4.21Å; I36-W49 HydrophobicContact CG2-CD2 4.18Å; I36-W49 HydrophobicContact CG2-CG 4.3Å; I36-W49 HydrophobicContact CG2-CZ2 4.31Å; E47-W49 WeakPolarHBondContact OE2-CZ2 3.3Å; E47-W49 PolarHBondContact OE2-NE1 3.18Å
50I94.5Very high88.6Confident8 Ų864.1 Ų64.14%0.04133%0.328CS..EExtended strand (participates in β ladder)trans-126.2122.5175.1-39.2169.6000107.4H34 V35 I55 I72 I80H34-I50 CarbonylContact C-O 3.5Å; H34-I50 WeakPolarHBondContact CA-O 3.44Å; V35-I50 HydrophobicContact CB-CB 4.19Å; V35-I50 HydrophobicContact CB-CD1 4.19Å; V35-I50 HydrophobicContact CB-CG1 4.39Å; V35-I50 HydrophobicContact CG1-CD1 4.38Å; V35-I50 PolarHBondContact N-O 3.02Å; V35-I50 PolarHBondContact O-N 3Å; I50-I55 HydrophobicContact CG2-CG1 4.08Å; I50-I72 HydrophobicContact CD1-CD1 4.29Å; I50-I72 HydrophobicContact CD1-CG2 4.47Å; I50-I80 HydrophobicContact CD1-CB 4.45Å; I50-I80 HydrophobicContact CD1-CD1 3.4Å; I50-I80 HydrophobicContact CD1-CG1 4.5Å; I50-I80 HydrophobicContact CD1-CG2 4.29Å; I50-I80 HydrophobicContact CG1-CD1 3.66Å
51L94.4Very high88.9Confident12 Ų1263.4 Ų63.46%0.06332%0.322CS..EExtended strand (participates in β ladder)trans-70.7138.4168.7-81.9165.4000110.3T33 H34 S53 Q54 Y110T33-L51 WeakPolarHBondContact O-CA 3.34Å; H34-L51 VanDerWaalsContact CE1-CD2 3.47Å; H34-L51 WeakPolarHBondContact CE1-CD2 3.37Å; H34-L51 WeakPolarHBondContact NE2-CD2 3.25Å; L51-S53 PolarHBondContact O-N 3.39Å; L51-Q54 HydrophobicContact CB-CB 4.2Å; L51-Q54 HydrophobicContact CB-CG 3.8Å; L51-Q54 HydrophobicContact CD1-CG 4.4Å; L51-Q54 WeakPolarHBondContact O-CB 3.37Å; L51-Q54 PolarHBondContact O-N 3.16Å; L51-Y110 HydrophobicContact CD1-CD1 4.4Å; L51-Y110 HydrophobicContact CD2-CD1 3.39Å; L51-Y110 HydrophobicContact CD2-CE1 3.6Å; L51-Y110 HydrophobicContact CD2-CG 4.14Å
52H93.9Very high89.5Confident5 Ų565.6 Ų65.62%0.02334%0.342CS..G310 helixtrans-60.9-34.8178.1-61-41000112.5T31 A32 T33 H34 Q54 I55 L100 A101T31-H52 PolarHBondContact O-NE2 3.23Å; A32-H52 PolarHBondContact O-CD2 2.88Å; T33-H52 PolarHBondContact O-CD2 3.43Å; T33-H52 PolarHBondContact O-N 3.01Å; H34-H52 PolarHBondContact N-NE2 3.44Å; H34-H52 PolarHBondContact O-CE1 3.25Å; H52-Q54 PolarHBondContact O-N 3.46Å; H52-I55 WeakPolarHBondContact O-CB 3.33Å; H52-I55 PolarHBondContact O-N 3.1Å; H52-L100 HydrophobicContact CB-CB 4.22Å; H52-L100 WeakPolarHBondContact CB-O 3.46Å; H52-A101 WeakPolarHBondContact O-CA 3.39Å
53S93.3Very high90.7Very high14 Ų1463.4 Ų63.410%0.09833%0.327CS..G310 helixtrans-62.4-26.2173.746.70000114.4L51 I55 K75 S433L51-S53 PolarHBondContact O-N 3.39Å; S53-I55 VanDerWaalsContact C-N 3.34Å; S53-K75 WeakPolarHBondContact O-CE 3.42Å; S53-K75 PolarHBondContact O-NZ 2.91Å; S53-S433 WeakPolarHBondContact CB-O 3.45Å; S53-S433 PolarHBondContact OG-O 3.33Å
54Q94Very high91.6Very high3 Ų359.6 Ų59.61%0.01431%0.309CS..G310 helixtrans-80.2-14.2174.5-68.8-73.3-7.200112.5L51 H52 S56 C74 K75 H429 S433L51-Q54 HydrophobicContact CB-CB 4.2Å; L51-Q54 HydrophobicContact CB-CG 3.8Å; L51-Q54 HydrophobicContact CD1-CG 4.4Å; L51-Q54 WeakPolarHBondContact O-CB 3.37Å; L51-Q54 PolarHBondContact O-N 3.16Å; H52-Q54 PolarHBondContact O-N 3.46Å; Q54-S56 PolarHBondContact O-N 3.24Å; Q54-C74 CarbonylContact O-C 3.29Å; Q54-C74 WeakPolarHBondContact O-CA 3.24Å; Q54-C74 VanDerWaalsContact O-CB 3.3Å; Q54-C74 WeakPolarHBondContact O-CB 3.49Å; Q54-K75 PolarHBondContact O-N 2.98Å; Q54-H429 PolarHBondContact NE2-CE1 3.02Å; Q54-H429 PolarHBondContact NE2-ND1 3.38Å; Q54-H429 VanDerWaalsContact NE2-ND1 3.14Å; Q54-H429 PolarHBondContact NE2-O 3.26Å; Q54-S433 VanDerWaalsContact NE2-N 3.18Å
55I95.2Very high92.5Very high5 Ų560.7 Ų60.73%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-72.2129.2178.9-58.1178.4000108.9V35 I50 H52 S53 I58 I72 K75 A101V35-I55 HydrophobicContact CG2-CD1 4.22Å; I50-I55 HydrophobicContact CG2-CG1 4.08Å; H52-I55 WeakPolarHBondContact O-CB 3.33Å; H52-I55 PolarHBondContact O-N 3.1Å; S53-I55 VanDerWaalsContact C-N 3.34Å; I55-I58 HydrophobicContact CG2-CD1 3.9Å; I55-I58 HydrophobicContact CG2-CG1 3.5Å; I55-I58 VanDerWaalsContact CG2-CG1 3.5Å; I55-I72 HydrophobicContact CD1-CG2 4.31Å; I55-I72 HydrophobicContact CG1-CG2 4.08Å; I55-I72 HydrophobicContact CG2-CG2 4Å; I55-K75 WeakPolarHBondContact O-CE 3.47Å; I55-A101 HydrophobicContact CB-CB 3.83Å; I55-A101 HydrophobicContact CD1-CB 4.49Å; I55-A101 HydrophobicContact CG2-CB 4.06Å
56S93.1Very high92.9Very high67 Ų6754.6 Ų54.647%0.46931%0.312SS..EExtended strand (participates in β ladder)trans-100.4-56.5177.5-174.60000110.5Q54 R73Q54-S56 PolarHBondContact O-N 3.24Å; S56-R73 WeakPolarHBondContact CA-O 3.18Å; S56-R73 WeakPolarHBondContact CB-O 3.31Å; S56-R73 PolarHBondContact N-O 2.93Å
57T93.6Very high93.2Very high59 Ų5949.7 Ų49.736%0.36229%0.292SS..EExtended strand (participates in β ladder)trans-136.3152.7176.768.20000111.5R73T57-R73 PolarHBondContact N-O 2.91Å; T57-R73 VanDerWaalsContact N-O 3.16Å; T57-R73 PolarHBondContact O-N 2.97Å
58I95.8Very high93.4Very high16 Ų1646.8 Ų46.88%0.08228%0.279CS..EExtended strand (participates in β ladder)trans-132.8122.1177.2-51.5158.1000107I55 L70 L71 I72 Y94 L97 I98I55-I58 HydrophobicContact CG2-CD1 3.9Å; I55-I58 HydrophobicContact CG2-CG1 3.5Å; I55-I58 VanDerWaalsContact CG2-CG1 3.5Å; I58-L70 HydrophobicContact CG2-CD1 3.64Å; I58-L70 HydrophobicContact CG2-CG 4.18Å; I58-L71 CarbonylContact C-O 3.48Å; I58-L71 WeakPolarHBondContact CA-O 3.5Å; I58-I72 HydrophobicContact CG2-CG1 4.43Å; I58-Y94 HydrophobicContact CB-CD2 4.44Å; I58-Y94 HydrophobicContact CB-CE2 4.37Å; I58-Y94 HydrophobicContact CG2-CD2 3.72Å; I58-Y94 HydrophobicContact CG2-CE2 4.11Å; I58-L97 HydrophobicContact CD1-CB 3.49Å; I58-L97 VanDerWaalsContact CD1-CB 3.49Å; I58-I98 HydrophobicContact CB-CD1 4.2Å; I58-I98 HydrophobicContact CD1-CD1 3.95Å; I58-I98 HydrophobicContact CD1-CG1 4.06Å
59E95.3Very high93.5Very high83 Ų8346 Ų4639%0.38827%0.274SS..EExtended strand (participates in β ladder)trans-118.5111-179.9-76.5163-154.900109.5L71 R73E59-L71 HydrophobicContact CB-CB 4.24Å; E59-L71 PolarHBondContact N-O 3.36Å; E59-L71 PolarHBondContact O-N 3.49Å; E59-R73 IonicContact OE1-CZ 2.93Å; E59-R73 IonicContact OE1-NH1 3.15Å; E59-R73 PolarHBondContact OE1-NH1 3.4Å; E59-R73 IonicContact OE2-CZ 3.55Å; E59-R73 IonicContact OE2-NH1 2.68Å; E59-R73 PolarHBondContact OE2-NH1 3.34Å
60K95.6Very high93.7Very high59 Ų5939.6 Ų39.626%0.25725%0.25SC..EExtended strand (participates in β ladder)trans-82.2117.1166.7171.8165.7167.3161.60108.8C68 L70 E87 Y94K60-C68 VanDerWaalsContact CE-SG 3.53Å; K60-L70 HydrophobicContact CB-CD1 4.08Å; K60-E87 PolarHBondContact NZ-O 2.81Å; K60-E87 IonicContact NZ-OE1 3.99Å; K60-E87 PolarHBondContact NZ-OE1 2.69Å; K60-Y94 HydrophobicContact CB-CD2 3.94Å; K60-Y94 HydrophobicContact CB-CE2 4.3Å; K60-Y94 HydrophobicContact CB-CG 4.2Å
61Q93.5Very high93.7Very high72 Ų7240 Ų4034%0.33625%0.252SS..PPolyproline II helixtrans-91.8168.5-179.7-60.2-180-13.400111P69Q61-P69 HydrophobicContact CB-CB 4Å; Q61-P69 HydrophobicContact CB-CG 4.04Å; Q61-P69 HydrophobicContact CG-CB 4.49Å; Q61-P69 PolarHBondContact N-O 2.8Å
62A92.6Very high93.7Very high86 Ų8639.4 Ų39.471%0.71125%0.249SC*.PPolyproline II helixtrans-61.1138.2177.600000111.7T64 P69A62-T64 PolarHBondContact O-N 3.44Å; A62-P69 VanDerWaalsContact O-CD 3.27Å; A62-P69 WeakPolarHBondContact O-CD 3.31Å
63T92.6Very high93.7Very high79 Ų7941.7 Ų41.749%0.48526%0.257SS..PPolyproline II helixtrans-61.4130.2178.8-53.80000111E87T63-E87 WeakPolarHBondContact OG1-CG 3.34Å
64T91.6Very high93.8Very high64 Ų6441.3 Ų41.339%0.39326%0.255SS..BIsolated β-bridgetrans-104.6169.617870.50000110.6A62 T66 G67 P69A62-T64 PolarHBondContact O-N 3.44Å; T64-T66 PolarHBondContact O-N 3.24Å; T64-T66 PolarHBondContact OG1-N 2.94Å; T64-T66 VanDerWaalsContact OG1-N 3.08Å; T64-T66 PolarHBondContact OG1-OG1 3.44Å; T64-G67 PolarHBondContact N-O 3.5Å; T64-G67 PolarHBondContact O-N 3.25Å; T64-G67 PolarHBondContact OG1-N 2.99Å; T64-G67 PolarHBondContact OG1-O 3.29Å; T64-P69 HydrophobicContact CG2-CG 4.05Å
65A89.3Confident93.7Very high118 Ų11842.7 Ų42.798%0.97526%0.261SS*.THydrogen-bonded Turntrans-57.1-14.7168.100000113.7
66T87.8Confident93.5Very high67 Ų6742.9 Ų42.941%0.41126%0.262SS..THydrogen-bonded Turntrans-99-2177.963.20000114.3R13 T64 I83R13-T66 PolarHBondContact NH2-O 3.48Å; T64-T66 PolarHBondContact O-N 3.24Å; T64-T66 PolarHBondContact OG1-N 2.94Å; T64-T66 VanDerWaalsContact OG1-N 3.08Å; T64-T66 PolarHBondContact OG1-OG1 3.44Å; T66-I83 VanDerWaalsContact O-CG2 3.22Å; T66-I83 WeakPolarHBondContact O-CG2 3.44Å
67G93.3Very high93.4Very high6 Ų640.8 Ų40.86%0.06224%0.244CC..BIsolated β-bridgetrans117.8-175.6-17400000113T64 P69 I84T64-G67 PolarHBondContact N-O 3.5Å; T64-G67 PolarHBondContact O-N 3.25Å; T64-G67 PolarHBondContact OG1-N 2.99Å; T64-G67 PolarHBondContact OG1-O 3.29Å; G67-P69 WeakPolarHBondContact O-CD 3.47Å; G67-I84 CarbonylContact C-O 3.53Å; G67-I84 WeakPolarHBondContact CA-O 3.44Å
68C96Very high93.3Very high0 Ų039.4 Ų39.40%023%0.234CC..EExtended strand (participates in β ladder)trans-89.4115.7-179.3176.90000110.7K60 I84 C90K60-C68 VanDerWaalsContact CE-SG 3.53Å; C68-I84 PolarHBondContact N-O 3.36Å; C68-I84 PolarHBondContact O-N 2.92Å; C68-C90 HydrophobicContact CB-CB 3.39Å; C68-C90 WeakPolarHBondContact CB-SG 3.4Å; C68-C90 WeakPolarHBondContact SG-CB 3.42Å; C68-C90 CovalentContact SG-SG 2.04Å; C68-C90 PolarHBondContact SG-SG 2.85Å
69P95.3Very high93.1Very high8 Ų840.8 Ų40.85%0.05224%0.241CC..EExtended strand (participates in β ladder)trans-79.2134.8176.9-5.323000111.1Q61 A62 T64 G67 L82Q61-P69 HydrophobicContact CB-CB 4Å; Q61-P69 HydrophobicContact CB-CG 4.04Å; Q61-P69 HydrophobicContact CG-CB 4.49Å; Q61-P69 PolarHBondContact N-O 2.8Å; A62-P69 VanDerWaalsContact O-CD 3.27Å; A62-P69 WeakPolarHBondContact O-CD 3.31Å; T64-P69 HydrophobicContact CG2-CG 4.05Å; G67-P69 WeakPolarHBondContact O-CD 3.47Å; P69-L82 CarbonylContact C-O 3.48Å; P69-L82 WeakPolarHBondContact CA-O 3.46Å
70L96Very high92.9Very high0 Ų037.3 Ų37.30%023%0.225CC..EExtended strand (participates in β ladder)trans-124.6114175.5-172.671.4000108.2I58 K60 L82 I84 V93 Y94 L97I58-L70 HydrophobicContact CG2-CD1 3.64Å; I58-L70 HydrophobicContact CG2-CG 4.18Å; K60-L70 HydrophobicContact CB-CD1 4.08Å; L70-L82 PolarHBondContact N-O 3.46Å; L70-L82 PolarHBondContact O-N 3.15Å; L70-I84 HydrophobicContact CB-CD1 4.37Å; L70-I84 HydrophobicContact CD2-CD1 4.01Å; L70-V93 HydrophobicContact CD2-CG1 3.72Å; L70-Y94 HydrophobicContact CD1-CD2 3.97Å; L70-L97 HydrophobicContact CD2-CD1 4.37Å
71L95Very high92.8Very high16 Ų1637.3 Ų37.38%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-100.5123.6179.3-17863.6000109.3I58 E59 I79 Q81I58-L71 CarbonylContact C-O 3.48Å; I58-L71 WeakPolarHBondContact CA-O 3.5Å; E59-L71 HydrophobicContact CB-CB 4.24Å; E59-L71 PolarHBondContact N-O 3.36Å; E59-L71 PolarHBondContact O-N 3.49Å; L71-I79 HydrophobicContact CD1-CG2 3.6Å; L71-Q81 HydrophobicContact CD1-CB 3.96Å; L71-Q81 HydrophobicContact CD1-CG 4.41Å
72I95.4Very high92.9Very high0 Ų034 Ų340%021%0.21CC..EExtended strand (participates in β ladder)trans-114.1118.9178.9-58.4172.7000107.3I50 I55 I58 I80 L82 L97I50-I72 HydrophobicContact CD1-CD1 4.29Å; I50-I72 HydrophobicContact CD1-CG2 4.47Å; I55-I72 HydrophobicContact CD1-CG2 4.31Å; I55-I72 HydrophobicContact CG1-CG2 4.08Å; I55-I72 HydrophobicContact CG2-CG2 4Å; I58-I72 HydrophobicContact CG2-CG1 4.43Å; I72-I80 HydrophobicContact CB-CB 4.48Å; I72-I80 PolarHBondContact N-O 2.94Å; I72-I80 PolarHBondContact O-N 3.43Å; I72-L82 HydrophobicContact CD1-CD1 4.16Å; I72-L97 HydrophobicContact CD1-CD1 3.93Å
73R94.4Very high93.1Very high53 Ų5331 Ų3120%0.218%0.182CC..EExtended strand (participates in β ladder)trans-103.3135.1169.7-62.5-172172.379.5-3.6109.5S56 T57 E59 I79 E291S56-R73 WeakPolarHBondContact CA-O 3.18Å; S56-R73 WeakPolarHBondContact CB-O 3.31Å; S56-R73 PolarHBondContact N-O 2.93Å; T57-R73 PolarHBondContact N-O 2.91Å; T57-R73 VanDerWaalsContact N-O 3.16Å; T57-R73 PolarHBondContact O-N 2.97Å; E59-R73 IonicContact OE1-CZ 2.93Å; E59-R73 IonicContact OE1-NH1 3.15Å; E59-R73 PolarHBondContact OE1-NH1 3.4Å; E59-R73 IonicContact OE2-CZ 3.55Å; E59-R73 IonicContact OE2-NH1 2.68Å; E59-R73 PolarHBondContact OE2-NH1 3.34Å; R73-I79 HydrophobicContact CG-CG1 4.29Å; R73-I79 HydrophobicContact CG-CG2 4.46Å; R73-E291 WeakPolarHBondContact CD-OE1 3.41Å; R73-E291 IonicContact CZ-OE1 3.46Å; R73-E291 IonicContact CZ-OE2 2.6Å; R73-E291 IonicContact NE-OE1 3.95Å; R73-E291 PolarHBondContact NE-OE1 2.64Å; R73-E291 IonicContact NE-OE2 3.32Å; R73-E291 PolarHBondContact NE-OE2 3.5Å; R73-E291 IonicContact NH2-OE1 3.68Å; R73-E291 IonicContact NH2-OE2 3.17Å; R73-E291 PolarHBondContact NH2-OE2 2.68Å
74C94.3Very high93.2Very high7 Ų727.3 Ų27.35%0.04716%0.159CC..EExtended strand (participates in β ladder)trans-111.6151.3-176.3-570000111.7Q54 N76 F77 Q78Q54-C74 CarbonylContact O-C 3.29Å; Q54-C74 WeakPolarHBondContact O-CA 3.24Å; Q54-C74 VanDerWaalsContact O-CB 3.3Å; Q54-C74 WeakPolarHBondContact O-CB 3.49Å; C74-N76 WeakPolarHBondContact CB-OD1 3.08Å; C74-N76 PolarHBondContact O-N 2.88Å; C74-F77 WeakPolarHBondContact O-CA 3.06Å; C74-F77 PolarHBondContact O-N 2.91Å; C74-Q78 HydrophobicContact CB-CB 4.08Å; C74-Q78 VanDerWaalsContact CB-O 3.32Å; C74-Q78 WeakPolarHBondContact CB-O 3.47Å; C74-Q78 PolarHBondContact N-O 2.85Å
75K92.3Very high93.4Very high32 Ų3227.1 Ų27.114%0.13916%0.159CC..THydrogen-bonded Turntrans-65.4-19.8179-56.7-178.6-170.4174.70112.8S53 Q54 I55 F77 Y385 G386 Y432S53-K75 WeakPolarHBondContact O-CE 3.42Å; S53-K75 PolarHBondContact O-NZ 2.91Å; Q54-K75 PolarHBondContact O-N 2.98Å; I55-K75 WeakPolarHBondContact O-CE 3.47Å; K75-F77 PolarHBondContact O-N 2.99Å; K75-Y385 PolarHBondContact NZ-O 3.29Å; K75-G386 PolarHBondContact NZ-O 2.61Å; K75-Y432 HydrophobicContact CB-CD1 3.55Å; K75-Y432 HydrophobicContact CB-CD2 4.25Å; K75-Y432 HydrophobicContact CB-CE1 3.88Å; K75-Y432 HydrophobicContact CB-CG 3.69Å; K75-Y432 HydrophobicContact CD-CD1 3.35Å; K75-Y432 HydrophobicContact CD-CE1 3.88Å; K75-Y432 HydrophobicContact CD-CG 4.14Å; K75-Y432 HydrophobicContact CG-CD1 4.04Å; K75-Y432 HydrophobicContact CG-CE1 4.35Å
76N90.3Very high93.7Very high9 Ų927 Ų275%0.04814%0.139CC..THydrogen-bonded Turntrans-82.711.4169.372.7-11.4000113.8C74 Q78 R506 F507C74-N76 WeakPolarHBondContact CB-OD1 3.08Å; C74-N76 PolarHBondContact O-N 2.88Å; N76-Q78 PolarHBondContact O-N 2.97Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.24Å; N76-Q78 PolarHBondContact OD1-N 3.35Å; N76-R506 PolarHBondContact O-NH1 2.98Å; N76-F507 WeakPolarHBondContact O-CE2 3.38Å
77F91.6Very high94Very high22 Ų2228.3 Ų28.310%0.09614%0.14CC..SBendtrans69.96.3-177.1-36.3-57000115.7C74 K75 L283 L287 M503 Y504C74-F77 WeakPolarHBondContact O-CA 3.06Å; C74-F77 PolarHBondContact O-N 2.91Å; K75-F77 PolarHBondContact O-N 2.99Å; F77-L283 HydrophobicContact CE1-CD1 4.33Å; F77-L283 HydrophobicContact CE1-CD2 4.34Å; F77-L287 HydrophobicContact CB-CD2 4.34Å; F77-L287 HydrophobicContact CD1-CD1 3.91Å; F77-L287 HydrophobicContact CD1-CD2 3.55Å; F77-L287 HydrophobicContact CD1-CG 4.38Å; F77-L287 HydrophobicContact CE1-CD1 4.19Å; F77-L287 HydrophobicContact CE1-CD2 4.18Å; F77-L287 HydrophobicContact CG-CD2 4.07Å; F77-M503 HydrophobicContact CD2-CG 4.05Å; F77-M503 HydrophobicContact CD2-SD 4.22Å; F77-M503 HydrophobicContact CE2-CG 3.66Å; F77-M503 HydrophobicContact CE2-SD 3.77Å; F77-Y504 HydrophobicContact CD1-CD1 4.28Å; F77-Y504 HydrophobicContact CD1-CE1 4.5Å; F77-Y504 AromaticContact CD2-CD1 3.59Å; F77-Y504 HydrophobicContact CD2-CD1 3.59Å; F77-Y504 AromaticContact CD2-CE1 3.94Å; F77-Y504 HydrophobicContact CD2-CE1 3.94Å; F77-Y504 HydrophobicContact CE1-CD1 4.35Å; F77-Y504 HydrophobicContact CE1-CE1 4.11Å; F77-Y504 AromaticContact CE2-CD1 3.67Å; F77-Y504 HydrophobicContact CE2-CD1 3.67Å; F77-Y504 AromaticContact CE2-CE1 3.49Å; F77-Y504 HydrophobicContact CE2-CE1 3.49Å; F77-Y504 VanDerWaalsContact CE2-CE1 3.49Å; F77-Y504 AromaticContact CG-CD1 3.93Å; F77-Y504 HydrophobicContact CG-CD1 3.93Å; F77-Y504 HydrophobicContact CG-CE1 4.43Å; F77-Y504 HydrophobicContact CZ-CD1 4.07Å; F77-Y504 AromaticContact CZ-CE1 3.6Å; F77-Y504 HydrophobicContact CZ-CE1 3.6Å
78Q90.8Very high94.2Very high31 Ų3136.4 Ų36.415%0.14517%0.169CC..  trans-72.9132.9172.7-164.4173.11500111.2C74 N76 I80 F507C74-Q78 HydrophobicContact CB-CB 4.08Å; C74-Q78 VanDerWaalsContact CB-O 3.32Å; C74-Q78 WeakPolarHBondContact CB-O 3.47Å; C74-Q78 PolarHBondContact N-O 2.85Å; N76-Q78 PolarHBondContact O-N 2.97Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.24Å; N76-Q78 PolarHBondContact OD1-N 3.35Å; Q78-I80 HydrophobicContact CG-CD1 4.08Å; Q78-I80 HydrophobicContact CG-CG1 4.21Å; Q78-F507 HydrophobicContact CB-CD1 4.41Å; Q78-F507 HydrophobicContact CB-CD2 3.61Å; Q78-F507 HydrophobicContact CB-CE1 4.42Å; Q78-F507 HydrophobicContact CB-CE2 3.63Å; Q78-F507 HydrophobicContact CB-CG 4.02Å; Q78-F507 HydrophobicContact CB-CZ 4.04Å; Q78-F507 HydrophobicContact CG-CB 4.24Å; Q78-F507 HydrophobicContact CG-CD1 3.89Å; Q78-F507 HydrophobicContact CG-CD2 3.88Å; Q78-F507 HydrophobicContact CG-CE1 4.18Å; Q78-F507 HydrophobicContact CG-CE2 4.17Å; Q78-F507 HydrophobicContact CG-CG 3.72Å; Q78-F507 HydrophobicContact CG-CZ 4.31Å
79I91.4Very high94.2Very high44 Ų4437.9 Ų37.923%0.22618%0.177CC..EExtended strand (participates in β ladder)trans-120.3125.8176.9-57.5173.4000108.7L71 R73 E291L71-I79 HydrophobicContact CD1-CG2 3.6Å; R73-I79 HydrophobicContact CG-CG1 4.29Å; R73-I79 HydrophobicContact CG-CG2 4.46Å; I79-E291 VanDerWaalsContact CD1-CD 3.45Å; I79-E291 HydrophobicContact CD1-CG 3.36Å; I79-E291 VanDerWaalsContact CD1-OE1 3.27Å; I79-E291 WeakPolarHBondContact CD1-OE1 3.33Å
80I91.9Very high94.2Very high11 Ų1137.5 Ų37.56%0.05617%0.174CC..EExtended strand (participates in β ladder)trans-127.7119.6-174.3-76.9168.7000108.9L14 T48 I50 I72 Q78 L82L14-I80 HydrophobicContact CD1-CG2 3.76Å; T48-I80 HydrophobicContact CG2-CD1 3.92Å; I50-I80 HydrophobicContact CD1-CB 4.45Å; I50-I80 HydrophobicContact CD1-CD1 3.4Å; I50-I80 HydrophobicContact CD1-CG1 4.5Å; I50-I80 HydrophobicContact CD1-CG2 4.29Å; I50-I80 HydrophobicContact CG1-CD1 3.66Å; I72-I80 HydrophobicContact CB-CB 4.48Å; I72-I80 PolarHBondContact N-O 2.94Å; I72-I80 PolarHBondContact O-N 3.43Å; Q78-I80 HydrophobicContact CG-CD1 4.08Å; Q78-I80 HydrophobicContact CG-CG1 4.21Å; I80-L82 HydrophobicContact CG2-CD2 4.12Å; I80-L82 HydrophobicContact CG2-CG 3.97Å
81Q93.4Very high94.3Very high59 Ų5941 Ų4128%0.27619%0.19SC..EExtended strand (participates in β ladder)trans-107.6115174.5-172.2173.218.100109.7V15 L71V15-Q81 HydrophobicContact CB-CB 4.25Å; V15-Q81 HydrophobicContact CB-CG 4.45Å; V15-Q81 PolarHBondContact N-O 3.44Å; L71-Q81 HydrophobicContact CD1-CB 3.96Å; L71-Q81 HydrophobicContact CD1-CG 4.41Å
82L95.4Very high94.3Very high2 Ų241.3 Ų41.31%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-102.5141.3174.9-60.2172.3000109.2V12 R13 L14 L28 F37 P69 L70 I72 I80V12-L82 HydrophobicContact CG1-CB 4.06Å; V12-L82 HydrophobicContact CG1-CD2 4.02Å; V12-L82 HydrophobicContact CG1-CG 4.48Å; R13-L82 CarbonylContact O-C 3.33Å; R13-L82 WeakPolarHBondContact O-CA 3.4Å; L14-L82 HydrophobicContact CB-CD2 4.18Å; L14-L82 HydrophobicContact CD1-CD2 3.88Å; L28-L82 HydrophobicContact CD1-CD1 3.72Å; L28-L82 HydrophobicContact CD2-CD1 3.95Å; L28-L82 HydrophobicContact CG-CD1 4.5Å; F37-L82 HydrophobicContact CD2-CD2 4.19Å; P69-L82 CarbonylContact C-O 3.48Å; P69-L82 WeakPolarHBondContact CA-O 3.46Å; L70-L82 PolarHBondContact N-O 3.46Å; L70-L82 PolarHBondContact O-N 3.15Å; I72-L82 HydrophobicContact CD1-CD1 4.16Å; I80-L82 HydrophobicContact CG2-CD2 4.12Å; I80-L82 HydrophobicContact CG2-CG 3.97Å
83I96.1Very high94.4Very high24 Ų2441.3 Ų41.312%0.12319%0.192CC..EExtended strand (participates in β ladder)trans-111.8110.1165.7-55.9171.2000107R13 V15 T66R13-I83 HydrophobicContact CB-CB 4.26Å; R13-I83 PolarHBondContact N-O 3.29Å; R13-I83 PolarHBondContact O-N 2.93Å; V15-I83 HydrophobicContact CG2-CD1 3.6Å; V15-I83 HydrophobicContact CG2-CG1 3.83Å; T66-I83 VanDerWaalsContact O-CG2 3.22Å; T66-I83 WeakPolarHBondContact O-CG2 3.44Å
84I96.6Very high94.5Very high0 Ų042 Ų420%020%0.195CC..EExtended strand (participates in β ladder)trans-92.7128.3-179.3-66.1170.8000108.5V9 V12 L28 G67 C68 L70 Q86 D89 C90 V93V9-I84 HydrophobicContact CG1-CG2 3.96Å; V12-I84 HydrophobicContact CG1-CG1 4.16Å; V12-I84 HydrophobicContact CG2-CG1 4.19Å; L28-I84 HydrophobicContact CD2-CD1 4.4Å; G67-I84 CarbonylContact C-O 3.53Å; G67-I84 WeakPolarHBondContact CA-O 3.44Å; C68-I84 PolarHBondContact N-O 3.36Å; C68-I84 PolarHBondContact O-N 2.92Å; L70-I84 HydrophobicContact CB-CD1 4.37Å; L70-I84 HydrophobicContact CD2-CD1 4.01Å; I84-Q86 PolarHBondContact O-N 3.46Å; I84-D89 HydrophobicContact CG2-CB 3.88Å; I84-C90 HydrophobicContact CB-CB 3.91Å; I84-C90 HydrophobicContact CD1-CB 4.19Å; I84-C90 HydrophobicContact CG2-CB 3.88Å; I84-V93 HydrophobicContact CD1-CB 4.24Å; I84-V93 HydrophobicContact CD1-CG1 4.19Å; I84-V93 HydrophobicContact CD1-CG2 4.42Å
85P95.6Very high94.6Very high61 Ų6144.3 Ų44.340%0.39621%0.206SC..SBendtrans-59.6-45.3-172.6-27.735.6000114.5N11N11-P85 HydrophobicContact CB-CG 4.16Å; N11-P85 VanDerWaalsContact O-CG 3.24Å; N11-P85 WeakPolarHBondContact O-CG 3.16Å
86Q95.3Very high94.7Very high116 Ų11642.8 Ų42.854%0.54220%0.2SC..SBendtrans-99.9136-177.8-50.2-167.228.600111.4I84 R88 D89 C90I84-Q86 PolarHBondContact O-N 3.46Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 2.75Å; Q86-D89 HydrophobicContact CB-CB 4.26Å; Q86-D89 WeakPolarHBondContact CB-OD2 3.39Å; Q86-D89 PolarHBondContact O-N 3.47Å; Q86-C90 WeakPolarHBondContact O-CB 3.26Å; Q86-C90 PolarHBondContact O-N 2.89Å
87E94.7Very high95Very high93 Ų9342.4 Ų42.444%0.43520%0.198SC..Hα-helixtrans-61.4-37177.7-173.8-73.714800112K60 T63 C90 H91K60-E87 PolarHBondContact NZ-O 2.81Å; K60-E87 IonicContact NZ-OE1 3.99Å; K60-E87 PolarHBondContact NZ-OE1 2.69Å; T63-E87 WeakPolarHBondContact OG1-CG 3.34Å; E87-C90 WeakPolarHBondContact O-CB 3.5Å; E87-C90 PolarHBondContact O-N 2.83Å; E87-H91 PolarHBondContact O-N 2.69Å
88R95.6Very high95.1Very high176 Ų17644 Ų4466%0.66421%0.207SC*.Hα-helixtrans-61.7-54.8176.1-179.5-179.3175.3174.7-0.9111.9Q86 C90 H91 D92Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 2.75Å; R88-C90 PolarHBondContact O-N 3.23Å; R88-H91 WeakPolarHBondContact O-CA 3.38Å; R88-H91 WeakPolarHBondContact O-CB 3.45Å; R88-H91 PolarHBondContact O-N 3.04Å; R88-D92 IonicContact NE-OD2 2.75Å; R88-D92 PolarHBondContact O-N 2.93Å
89D96.3Very high95.1Very high32 Ų3245.8 Ų45.817%0.17121%0.212CC..Hα-helixtrans-57.6-40177.4-63.2-27.5000110.9V9 I84 Q86 H91 D92 V93V9-D89 HydrophobicContact CG1-CB 4.04Å; V9-D89 HydrophobicContact CG2-CB 4.15Å; I84-D89 HydrophobicContact CG2-CB 3.88Å; Q86-D89 HydrophobicContact CB-CB 4.26Å; Q86-D89 WeakPolarHBondContact CB-OD2 3.39Å; Q86-D89 PolarHBondContact O-N 3.47Å; D89-H91 PolarHBondContact O-N 3.1Å; D89-D92 PolarHBondContact O-N 2.88Å; D89-V93 WeakPolarHBondContact O-CB 3.39Å; D89-V93 VanDerWaalsContact O-CG2 3.28Å; D89-V93 WeakPolarHBondContact O-CG2 3.42Å; D89-V93 PolarHBondContact O-N 3.35Å
90C96.7Very high95.2Very high0 Ų045 Ų450%021%0.209CC..Hα-helixtrans-62.3-39.6175.1-172.20000112.7C68 I84 Q86 E87 R88 Y94C68-C90 HydrophobicContact CB-CB 3.39Å; C68-C90 WeakPolarHBondContact CB-SG 3.4Å; C68-C90 WeakPolarHBondContact SG-CB 3.42Å; C68-C90 CovalentContact SG-SG 2.04Å; C68-C90 PolarHBondContact SG-SG 2.85Å; I84-C90 HydrophobicContact CB-CB 3.91Å; I84-C90 HydrophobicContact CD1-CB 4.19Å; I84-C90 HydrophobicContact CG2-CB 3.88Å; Q86-C90 WeakPolarHBondContact O-CB 3.26Å; Q86-C90 PolarHBondContact O-N 2.89Å; E87-C90 WeakPolarHBondContact O-CB 3.5Å; E87-C90 PolarHBondContact O-N 2.83Å; R88-C90 PolarHBondContact O-N 3.23Å; C90-Y94 WeakPolarHBondContact O-CB 3.4Å; C90-Y94 PolarHBondContact O-N 2.84Å
91H96.4Very high95.2Very high73 Ų7345.3 Ų45.334%0.33821%0.212SC..Hα-helixtrans-67.9-46.3174.2-17575.4000111.9E87 R88 D89 Y94 I95E87-H91 PolarHBondContact O-N 2.69Å; R88-H91 WeakPolarHBondContact O-CA 3.38Å; R88-H91 WeakPolarHBondContact O-CB 3.45Å; R88-H91 PolarHBondContact O-N 3.04Å; D89-H91 PolarHBondContact O-N 3.1Å; H91-Y94 WeakPolarHBondContact O-CB 3.39Å; H91-Y94 PolarHBondContact O-N 3.32Å; H91-I95 WeakPolarHBondContact O-CG1 3.37Å; H91-I95 PolarHBondContact O-N 3.47Å
92D96.6Very high95Very high23 Ų2348.6 Ų48.612%0.12322%0.222CC..Hα-helixtrans-68.3-36.6-177.5-78.5-32.2000112R5 T6 R88 D89 S96R5-D92 HydrophobicContact CB-CB 3.75Å; R5-D92 WeakPolarHBondContact CD-OD1 3.5Å; R5-D92 IonicContact CZ-OD1 2.61Å; R5-D92 IonicContact NE-OD1 2.88Å; R5-D92 IonicContact NH1-OD1 3.79Å; R5-D92 PolarHBondContact NH1-OD1 2.99Å; R5-D92 VanDerWaalsContact NH1-OD1 3.1Å; T6-D92 WeakPolarHBondContact OG1-CB 3.46Å; R88-D92 IonicContact NE-OD2 2.75Å; R88-D92 PolarHBondContact O-N 2.93Å; D89-D92 PolarHBondContact O-N 2.88Å; D92-S96 WeakPolarHBondContact O-CB 3.49Å; D92-S96 PolarHBondContact O-N 3.39Å; D92-S96 VanDerWaalsContact O-N 3.12Å; D92-S96 PolarHBondContact O-OG 2.77Å
93V96.9Very high94.8Very high0 Ų049 Ų490%023%0.225CC..Hα-helixtrans-62.1-51.8167168.30000110.7V9 L28 L30 L70 I84 D89 I95 S96 L97V9-V93 HydrophobicContact CG2-CG2 3.81Å; L28-V93 HydrophobicContact CD2-CG1 4.16Å; L28-V93 HydrophobicContact CD2-CG2 4.38Å; L30-V93 HydrophobicContact CD1-CG1 4.17Å; L30-V93 HydrophobicContact CD1-CG2 4.08Å; L30-V93 HydrophobicContact CD2-CG1 4.26Å; L30-V93 HydrophobicContact CD2-CG2 4.39Å; L70-V93 HydrophobicContact CD2-CG1 3.72Å; I84-V93 HydrophobicContact CD1-CB 4.24Å; I84-V93 HydrophobicContact CD1-CG1 4.19Å; I84-V93 HydrophobicContact CD1-CG2 4.42Å; D89-V93 WeakPolarHBondContact O-CB 3.39Å; D89-V93 VanDerWaalsContact O-CG2 3.28Å; D89-V93 WeakPolarHBondContact O-CG2 3.42Å; D89-V93 PolarHBondContact O-N 3.35Å; V93-I95 PolarHBondContact O-N 2.84Å; V93-S96 WeakPolarHBondContact O-CB 3.49Å; V93-S96 PolarHBondContact O-N 2.92Å; V93-S96 VanDerWaalsContact O-N 3.15Å; V93-L97 HydrophobicContact CG1-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CG 4.16Å; V93-L97 WeakPolarHBondContact O-CG 3.43Å; V93-L97 PolarHBondContact O-N 2.88Å
94Y96.6Very high94.6Very high66 Ų6652.1 Ų52.126%0.25925%0.245SC..Hα-helixtrans-53.6-50.5-179.7169.2-101000112.6I58 K60 L70 C90 H91 S96 L97 I98I58-Y94 HydrophobicContact CB-CD2 4.44Å; I58-Y94 HydrophobicContact CB-CE2 4.37Å; I58-Y94 HydrophobicContact CG2-CD2 3.72Å; I58-Y94 HydrophobicContact CG2-CE2 4.11Å; K60-Y94 HydrophobicContact CB-CD2 3.94Å; K60-Y94 HydrophobicContact CB-CE2 4.3Å; K60-Y94 HydrophobicContact CB-CG 4.2Å; L70-Y94 HydrophobicContact CD1-CD2 3.97Å; C90-Y94 WeakPolarHBondContact O-CB 3.4Å; C90-Y94 PolarHBondContact O-N 2.84Å; H91-Y94 WeakPolarHBondContact O-CB 3.39Å; H91-Y94 PolarHBondContact O-N 3.32Å; Y94-S96 PolarHBondContact O-N 2.98Å; Y94-L97 PolarHBondContact O-N 2.96Å; Y94-I98 HydrophobicContact CD2-CG1 4.14Å; Y94-I98 HydrophobicContact CE1-CG1 4.19Å; Y94-I98 HydrophobicContact CE2-CD1 3.91Å; Y94-I98 HydrophobicContact CE2-CG1 3.74Å; Y94-I98 VanDerWaalsContact O-CG1 3.3Å; Y94-I98 WeakPolarHBondContact O-CG1 3.44Å; Y94-I98 PolarHBondContact O-N 3.25Å
95I95.7Very high94.5Very high56 Ų5658.2 Ų58.229%0.28727%0.272SS..Hα-helixtrans-64.6-39.7179.2-63.6-62.7000111.6H91 V93 R99H91-I95 WeakPolarHBondContact O-CG1 3.37Å; H91-I95 PolarHBondContact O-N 3.47Å; V93-I95 PolarHBondContact O-N 2.84Å; I95-R99 PolarHBondContact O-N 3.01Å
96S95.9Very high94.4Very high1 Ų156.8 Ų56.81%0.00726%0.258CS..Hα-helixtrans-60.8-46.4176.4-560000111.1H3 R5 D92 V93 Y94 R99 L100H3-S96 WeakPolarHBondContact O-CA 3.49Å; H3-S96 WeakPolarHBondContact O-CB 3.41Å; H3-S96 PolarHBondContact O-OG 3.26Å; R5-S96 PolarHBondContact N-OG 2.84Å; D92-S96 WeakPolarHBondContact O-CB 3.49Å; D92-S96 PolarHBondContact O-N 3.39Å; D92-S96 VanDerWaalsContact O-N 3.12Å; D92-S96 PolarHBondContact O-OG 2.77Å; V93-S96 WeakPolarHBondContact O-CB 3.49Å; V93-S96 PolarHBondContact O-N 2.92Å; V93-S96 VanDerWaalsContact O-N 3.15Å; Y94-S96 PolarHBondContact O-N 2.98Å; S96-R99 PolarHBondContact O-N 3.08Å; S96-L100 WeakPolarHBondContact O-CB 3.42Å; S96-L100 WeakPolarHBondContact O-CD1 3.46Å; S96-L100 WeakPolarHBondContact O-CG 3.45Å; S96-L100 PolarHBondContact O-N 3.1Å
97L95.4Very high94.3Very high1 Ų155.6 Ų55.61%0.00525%0.253CS..Hα-helixtrans-69.7-38.8-178.8-63.5-174.6000113L30 V35 I58 L70 I72 V93 Y94 R99 L100 A101L30-L97 HydrophobicContact CD2-CD2 3.74Å; L30-L97 HydrophobicContact CD2-CG 4.14Å; L30-L97 HydrophobicContact CG-CD2 4.01Å; V35-L97 HydrophobicContact CG2-CD1 4.11Å; V35-L97 HydrophobicContact CG2-CD2 3.39Å; V35-L97 HydrophobicContact CG2-CG 4.41Å; I58-L97 HydrophobicContact CD1-CB 3.49Å; I58-L97 VanDerWaalsContact CD1-CB 3.49Å; L70-L97 HydrophobicContact CD2-CD1 4.37Å; I72-L97 HydrophobicContact CD1-CD1 3.93Å; V93-L97 HydrophobicContact CG1-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CG 4.16Å; V93-L97 WeakPolarHBondContact O-CG 3.43Å; V93-L97 PolarHBondContact O-N 2.88Å; Y94-L97 PolarHBondContact O-N 2.96Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 3.46Å; L97-L100 PolarHBondContact O-N 3.29Å; L97-A101 WeakPolarHBondContact O-CB 3.48Å; L97-A101 PolarHBondContact O-N 3.39Å
98I93.1Very high94.2Very high54 Ų5455 Ų5528%0.27725%0.25SC..Hα-helixtrans-58-39.5177-73.6-76.4000111.5I58 Y94I58-I98 HydrophobicContact CB-CD1 4.2Å; I58-I98 HydrophobicContact CD1-CD1 3.95Å; I58-I98 HydrophobicContact CD1-CG1 4.06Å; Y94-I98 HydrophobicContact CD2-CG1 4.14Å; Y94-I98 HydrophobicContact CE1-CG1 4.19Å; Y94-I98 HydrophobicContact CE2-CD1 3.91Å; Y94-I98 HydrophobicContact CE2-CG1 3.74Å; Y94-I98 VanDerWaalsContact O-CG1 3.3Å; Y94-I98 WeakPolarHBondContact O-CG1 3.44Å; Y94-I98 PolarHBondContact O-N 3.25Å
99R92.3Very high94.1Very high69 Ų6946.7 Ų46.726%0.2622%0.219SC..Hα-helixtrans-75.5-44.4174.9172.755.6-177.7119.43.3112.5H3 I95 S96 L97 A101 R102 E108H3-R99 HydrophobicContact CB-CG 4.08Å; H3-R99 PolarHBondContact CD2-NE 3.32Å; H3-R99 PolarHBondContact NE2-NE 3.32Å; H3-R99 PolarHBondContact NE2-NH2 2.93Å; I95-R99 PolarHBondContact O-N 3.01Å; S96-R99 PolarHBondContact O-N 3.08Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 3.46Å; R99-A101 VanDerWaalsContact C-N 3.33Å; R99-A101 PolarHBondContact O-N 3.44Å; R99-R102 PolarHBondContact NH1-O 3.23Å; R99-R102 CarbonylContact O-C 3.48Å; R99-R102 PolarHBondContact O-N 2.6Å; R99-R102 VanDerWaalsContact O-N 3.15Å; R99-E108 IonicContact CZ-OE1 3.69Å; R99-E108 IonicContact CZ-OE2 2.69Å; R99-E108 IonicContact NH1-OE1 2.76Å; R99-E108 IonicContact NH1-OE2 2.74Å; R99-E108 PolarHBondContact NH1-OE2 3.1Å; R99-E108 VanDerWaalsContact NH2-CD 3.26Å; R99-E108 IonicContact NH2-OE1 3Å; R99-E108 PolarHBondContact NH2-OE1 3.38Å; R99-E108 IonicContact NH2-OE2 2.79Å; R99-E108 PolarHBondContact NH2-OE2 3.45Å; R99-E108 VanDerWaalsContact NH2-OE2 3.13Å
100L92.1Very high94Very high29 Ų2947.3 Ų47.315%0.15222%0.219CC..Hα-helixtrans-69.5-29.7-176.3-69.6166000113.1H3 I4 H52 S96 L97 R102H3-L100 HydrophobicContact CB-CD2 4.22Å; H3-L100 HydrophobicContact CB-CG 4.44Å; I4-L100 HydrophobicContact CG1-CD1 3.82Å; H52-L100 HydrophobicContact CB-CB 4.22Å; H52-L100 WeakPolarHBondContact CB-O 3.46Å; S96-L100 WeakPolarHBondContact O-CB 3.42Å; S96-L100 WeakPolarHBondContact O-CD1 3.46Å; S96-L100 WeakPolarHBondContact O-CG 3.45Å; S96-L100 PolarHBondContact O-N 3.1Å; L97-L100 PolarHBondContact O-N 3.29Å; L100-R102 VanDerWaalsContact C-N 3.25Å; L100-R102 PolarHBondContact O-N 3.1Å
101A92.5Very high94Very high16 Ų1647.3 Ų47.313%0.13222%0.219CC..THydrogen-bonded Turntrans-77.5-7.1173.400000113.7H52 I55 L97 R99H52-A101 WeakPolarHBondContact O-CA 3.39Å; I55-A101 HydrophobicContact CB-CB 3.83Å; I55-A101 HydrophobicContact CD1-CB 4.49Å; I55-A101 HydrophobicContact CG2-CB 4.06Å; L97-A101 WeakPolarHBondContact O-CB 3.48Å; L97-A101 PolarHBondContact O-N 3.39Å; R99-A101 VanDerWaalsContact C-N 3.33Å; R99-A101 PolarHBondContact O-N 3.44Å
102R89.8Confident93.9Very high128 Ų12845.9 Ų45.948%0.48321%0.212SC..SBendtrans-126.579.1177.8-63.3-172.5-175.9-167.83.6111.4R99 L100 D389R99-R102 PolarHBondContact NH1-O 3.23Å; R99-R102 CarbonylContact O-C 3.48Å; R99-R102 PolarHBondContact O-N 2.6Å; R99-R102 VanDerWaalsContact O-N 3.15Å; L100-R102 VanDerWaalsContact C-N 3.25Å; L100-R102 PolarHBondContact O-N 3.1Å; R102-D389 HydrophobicContact CB-CB 4.39Å; R102-D389 IonicContact NH1-OD1 3.51Å
103P91.9Very high93.7Very high12 Ų1248.6 Ų48.68%0.07823%0.233CC..  trans-63.4139.9170.9-20.135.1000110.7E108 L109 L388 D389P103-E108 VanDerWaalsContact CA-OE2 3.3Å; P103-E108 WeakPolarHBondContact CA-OE2 3.3Å; P103-E108 HydrophobicContact CB-CB 3.95Å; P103-L109 HydrophobicContact CB-CD2 3.78Å; P103-L109 HydrophobicContact CG-CD2 3.7Å; P103-L388 HydrophobicContact CB-CD2 4.03Å; P103-L388 CarbonylContact O-C 3.53Å; P103-L388 VanDerWaalsContact O-CA 3.26Å; P103-L388 WeakPolarHBondContact O-CA 3.41Å; P103-D389 PolarHBondContact O-N 3.48Å
104V91.6Very high93.5Very high88 Ų8850.1 Ų50.153%0.53324%0.239SC..SBendtrans-102.6-20.3179.7-178.10000111.5E108V104-E108 PolarHBondContact N-OE2 2.87Å
105K93.2Very high93.2Very high129 Ų12951.2 Ų51.256%0.56125%0.25SC*.SBendtrans-128.4149.8179.4-62.8178.2180177.30110.4E107 E108 L388K105-E107 PolarHBondContact O-N 3.3Å; K105-E108 HydrophobicContact CB-CG 4.33Å; K105-E108 WeakPolarHBondContact O-CB 3.49Å; K105-E108 PolarHBondContact O-N 2.77Å; K105-L388 VanDerWaalsContact C-CD2 3.5Å; K105-L388 WeakPolarHBondContact O-CD2 3.17Å
106Y94Very high93Very high30 Ų3050.9 Ų50.912%0.11825%0.252CS..G310 helixtrans-57.4-37.9175.8-73.7-72.6000111.9E108 L109 F112 N382 L388 C441 L450Y106-E108 PolarHBondContact O-N 2.83Å; Y106-E108 VanDerWaalsContact O-N 3.08Å; Y106-L109 HydrophobicContact CD1-CD1 3.78Å; Y106-L109 WeakPolarHBondContact O-CB 3.35Å; Y106-L109 VanDerWaalsContact O-CG 3.28Å; Y106-L109 WeakPolarHBondContact O-CG 3.47Å; Y106-L109 PolarHBondContact O-N 3.46Å; Y106-F112 WeakPolarHBondContact O-CD2 3.42Å; Y106-F112 WeakPolarHBondContact O-CE2 3.45Å; Y106-N382 PolarHBondContact OH-ND2 3.46Å; Y106-L388 HydrophobicContact CD1-CD1 4.12Å; Y106-L388 HydrophobicContact CD1-CD2 4.49Å; Y106-L388 HydrophobicContact CD1-CG 4.43Å; Y106-L388 HydrophobicContact CD2-CD1 3.89Å; Y106-L388 HydrophobicContact CE1-CD1 3.91Å; Y106-L388 HydrophobicContact CE1-CG 4.24Å; Y106-L388 HydrophobicContact CE2-CD1 3.69Å; Y106-L388 HydrophobicContact CG-CD1 4.11Å; Y106-C441 WeakPolarHBondContact OH-CA 3.45Å; Y106-L450 HydrophobicContact CD2-CD1 3.39Å; Y106-L450 HydrophobicContact CD2-CD2 4.49Å; Y106-L450 HydrophobicContact CE2-CD1 3.65Å; Y106-L450 HydrophobicContact CG-CD1 3.88Å
107E93.6Very high92.8Very high91 Ų9158.5 Ų58.543%0.42529%0.289SS..G310 helixtrans-56.1-23.4176.3-73.357.5-133.600114.4K105 L109 R455K105-E107 PolarHBondContact O-N 3.3Å; E107-L109 VanDerWaalsContact C-N 3.31Å; E107-R455 IonicContact OE1-CZ 3.76Å; E107-R455 IonicContact OE1-NH1 3.26Å; E107-R455 PolarHBondContact OE1-NH1 3.12Å; E107-R455 IonicContact OE1-NH2 3.96Å; E107-R455 PolarHBondContact OE1-NH2 3.2Å
108E92.4Very high92.4Very high80 Ų8061.1 Ų61.137%0.37430%0.303SS..G310 helixtrans-81.3-10.4177.1-63.3178.8175.900112.6R99 P103 V104 K105 Y106R99-E108 IonicContact CZ-OE1 3.69Å; R99-E108 IonicContact CZ-OE2 2.69Å; R99-E108 IonicContact NH1-OE1 2.76Å; R99-E108 IonicContact NH1-OE2 2.74Å; R99-E108 PolarHBondContact NH1-OE2 3.1Å; R99-E108 VanDerWaalsContact NH2-CD 3.26Å; R99-E108 IonicContact NH2-OE1 3Å; R99-E108 PolarHBondContact NH2-OE1 3.38Å; R99-E108 IonicContact NH2-OE2 2.79Å; R99-E108 PolarHBondContact NH2-OE2 3.45Å; R99-E108 VanDerWaalsContact NH2-OE2 3.13Å; P103-E108 VanDerWaalsContact CA-OE2 3.3Å; P103-E108 WeakPolarHBondContact CA-OE2 3.3Å; P103-E108 HydrophobicContact CB-CB 3.95Å; V104-E108 PolarHBondContact N-OE2 2.87Å; K105-E108 HydrophobicContact CB-CG 4.33Å; K105-E108 WeakPolarHBondContact O-CB 3.49Å; K105-E108 PolarHBondContact O-N 2.77Å; Y106-E108 PolarHBondContact O-N 2.83Å; Y106-E108 VanDerWaalsContact O-N 3.08Å
109L94.1Very high92.4Very high3 Ų362.8 Ų62.82%0.01631%0.312CS..SBendtrans-74.8147.5-178.8-60.3-178.8000112.7P103 Y106 E107 C111 F112 N387 L388 C434 L440P103-L109 HydrophobicContact CB-CD2 3.78Å; P103-L109 HydrophobicContact CG-CD2 3.7Å; Y106-L109 HydrophobicContact CD1-CD1 3.78Å; Y106-L109 WeakPolarHBondContact O-CB 3.35Å; Y106-L109 VanDerWaalsContact O-CG 3.28Å; Y106-L109 WeakPolarHBondContact O-CG 3.47Å; Y106-L109 PolarHBondContact O-N 3.46Å; E107-L109 VanDerWaalsContact C-N 3.31Å; L109-C111 VanDerWaalsContact C-N 3.29Å; L109-C111 PolarHBondContact O-N 2.87Å; L109-F112 HydrophobicContact CB-CD2 4.21Å; L109-F112 HydrophobicContact CB-CE2 4.49Å; L109-F112 PolarHBondContact O-N 2.97Å; L109-F112 VanDerWaalsContact O-N 3.16Å; L109-N387 HydrophobicContact CD1-CB 4.37Å; L109-N387 WeakPolarHBondContact CD2-O 3.24Å; L109-L388 HydrophobicContact CD1-CD2 4.37Å; L109-L388 HydrophobicContact CD2-CD2 4.15Å; L109-L388 HydrophobicContact CG-CD2 4.27Å; L109-C434 HydrophobicContact CB-CB 4.32Å; L109-C434 HydrophobicContact CD2-CB 4.26Å; L109-L440 HydrophobicContact CD1-CD2 3.72Å
110Y93.9Very high92.3Very high44 Ų4465.9 Ų65.917%0.17333%0.327CS..G310 helixtrans-54.8-41.1-175.2179.6-148.7000113T33 H34 L51 F112 S113 F114 Q435T33-Y110 HydrophobicContact CG2-CD2 3.47Å; T33-Y110 VanDerWaalsContact CG2-CD2 3.47Å; T33-Y110 HydrophobicContact CG2-CE2 4Å; T33-Y110 HydrophobicContact CG2-CG 4.16Å; H34-Y110 AromaticContact CE1-CZ 3.87Å; L51-Y110 HydrophobicContact CD1-CD1 4.4Å; L51-Y110 HydrophobicContact CD2-CD1 3.39Å; L51-Y110 HydrophobicContact CD2-CE1 3.6Å; L51-Y110 HydrophobicContact CD2-CG 4.14Å; Y110-F112 PolarHBondContact O-N 2.82Å; Y110-S113 CarbonylContact O-C 3.39Å; Y110-S113 PolarHBondContact O-N 3.11Å; Y110-S113 PolarHBondContact O-OG 3.19Å; Y110-F114 HydrophobicContact CD2-CB 4.09Å; Y110-F114 HydrophobicContact CE1-CD2 4.29Å; Y110-F114 HydrophobicContact CE2-CB 3.9Å; Y110-F114 HydrophobicContact CE2-CD2 4.1Å; Y110-F114 HydrophobicContact CE2-CG 4.43Å; Y110-F114 AromaticContact CZ-CD2 3.7Å; Y110-F114 WeakPolarHBondContact O-CB 3.22Å; Y110-F114 PolarHBondContact O-N 3.05Å; Y110-F114 WeakPolarHBondContact OH-CD2 3.45Å; Y110-Q435 HydrophobicContact CD1-CB 3.82Å; Y110-Q435 HydrophobicContact CD1-CG 3.95Å; Y110-Q435 HydrophobicContact CE1-CB 4.03Å; Y110-Q435 HydrophobicContact CE1-CG 3.67Å
111C95.3Very high92.3Very high1 Ų170.9 Ų70.91%0.00735%0.35CS..G310 helixtrans-52.4-26.2179.555.40000115.8L109 C434 Q435 L440 T456L109-C111 VanDerWaalsContact C-N 3.29Å; L109-C111 PolarHBondContact O-N 2.87Å; C111-C434 WeakPolarHBondContact CA-O 3.14Å; C111-C434 WeakPolarHBondContact CB-O 3.49Å; C111-C434 PolarHBondContact N-O 2.89Å; C111-Q435 WeakPolarHBondContact CA-O 3.5Å; C111-Q435 WeakPolarHBondContact CB-O 3.11Å; C111-L440 VanDerWaalsContact SG-CD1 3.54Å; C111-T456 HydrophobicContact CB-CG2 3.95Å
112F94.6Very high92.3Very high43 Ų4374.2 Ų74.219%0.18936%0.363CS..G310 helixtrans-86.7-14.7177.2-65.5-80.2000113.6Y106 L109 Y110 L440 I452 R455 T456Y106-F112 WeakPolarHBondContact O-CD2 3.42Å; Y106-F112 WeakPolarHBondContact O-CE2 3.45Å; L109-F112 HydrophobicContact CB-CD2 4.21Å; L109-F112 HydrophobicContact CB-CE2 4.49Å; L109-F112 PolarHBondContact O-N 2.97Å; L109-F112 VanDerWaalsContact O-N 3.16Å; Y110-F112 PolarHBondContact O-N 2.82Å; F112-L440 HydrophobicContact CE2-CD1 4.46Å; F112-I452 HydrophobicContact CE1-CD1 4.36Å; F112-I452 HydrophobicContact CZ-CD1 3.72Å; F112-R455 HydrophobicContact CD1-CB 3.97Å; F112-R455 HydrophobicContact CE1-CB 3.79Å; F112-R455 VanDerWaalsContact CE1-CZ 3.4Å; F112-T456 HydrophobicContact CD1-CG2 3.82Å; F112-T456 HydrophobicContact CE1-CG2 3.68Å; F112-T456 HydrophobicContact CE2-CG2 4.42Å; F112-T456 HydrophobicContact CG-CG2 4.28Å; F112-T456 HydrophobicContact CZ-CG2 4.01Å
113S92.5Very high92.5Very high79 Ų7970 Ų7055%0.55235%0.347SS*.THydrogen-bonded Turntrans-109.5-11.3173.259.40000113.2Y110 N115Y110-S113 CarbonylContact O-C 3.39Å; Y110-S113 PolarHBondContact O-N 3.11Å; Y110-S113 PolarHBondContact O-OG 3.19Å; S113-N115 PolarHBondContact O-N 2.81Å
114F93.7Very high92.6Very high32 Ų3273.1 Ų73.114%0.1436%0.36CS..  trans-69.5120.5176.4177.6-123.1000110.3Y110 P116 Q435 F436 Y457Y110-F114 HydrophobicContact CD2-CB 4.09Å; Y110-F114 HydrophobicContact CE1-CD2 4.29Å; Y110-F114 HydrophobicContact CE2-CB 3.9Å; Y110-F114 HydrophobicContact CE2-CD2 4.1Å; Y110-F114 HydrophobicContact CE2-CG 4.43Å; Y110-F114 AromaticContact CZ-CD2 3.7Å; Y110-F114 WeakPolarHBondContact O-CB 3.22Å; Y110-F114 PolarHBondContact O-N 3.05Å; Y110-F114 WeakPolarHBondContact OH-CD2 3.45Å; F114-P116 HydrophobicContact CE1-CB 4.16Å; F114-P116 HydrophobicContact CE1-CG 4.05Å; F114-P116 HydrophobicContact CZ-CB 3.84Å; F114-P116 HydrophobicContact CZ-CG 4.24Å; F114-Q435 HydrophobicContact CD1-CG 3.89Å; F114-Q435 WeakPolarHBondContact CD1-O 3.26Å; F114-Q435 HydrophobicContact CD2-CG 4.19Å; F114-Q435 HydrophobicContact CE1-CG 3.97Å; F114-Q435 HydrophobicContact CE2-CG 4.28Å; F114-Q435 HydrophobicContact CG-CG 4Å; F114-Q435 HydrophobicContact CZ-CG 4.17Å; F114-Q435 VanDerWaalsContact CZ-NE2 3.27Å; F114-F436 HydrophobicContact CE1-CD1 4.43Å; F114-F436 AromaticContact CE1-CE1 3.88Å; F114-F436 HydrophobicContact CE1-CE1 3.88Å; F114-F436 HydrophobicContact CE1-CZ 4.31Å; F114-Y457 HydrophobicContact CD1-CD2 4.1Å; F114-Y457 VanDerWaalsContact O-CE2 3.29Å; F114-Y457 WeakPolarHBondContact O-CE2 3.37Å
115N89.3Confident92.7Very high89 Ų8975.1 Ų75.148%0.47636%0.364SS..  trans-126.6104174.6-1754.2000110.1S113 M117S113-N115 PolarHBondContact O-N 2.81Å; N115-M117 PolarHBondContact O-N 3.15Å; N115-M117 WeakPolarHBondContact OD1-CA 3.49Å; N115-M117 PolarHBondContact OD1-N 3.25Å
116P91.5Very high92.7Very high50 Ų5069.3 Ų69.333%0.32534%0.341SS..  trans-77.712.517532.6-33.8000114F114 L118 Y457F114-P116 HydrophobicContact CE1-CB 4.16Å; F114-P116 HydrophobicContact CE1-CG 4.05Å; F114-P116 HydrophobicContact CZ-CB 3.84Å; F114-P116 HydrophobicContact CZ-CG 4.24Å; P116-L118 VanDerWaalsContact C-N 3.3Å; P116-L118 HydrophobicContact CB-CD1 4.4Å; P116-L118 HydrophobicContact CB-CG 4.27Å; P116-L118 HydrophobicContact CG-CB 4.36Å; P116-L118 HydrophobicContact CG-CD1 3.83Å; P116-L118 HydrophobicContact CG-CG 3.89Å; P116-L118 PolarHBondContact O-N 3.26Å; P116-Y457 VanDerWaalsContact CD-CZ 3.47Å; P116-Y457 HydrophobicContact CG-CD1 3.75Å; P116-Y457 HydrophobicContact CG-CD2 4.04Å; P116-Y457 HydrophobicContact CG-CE1 3.73Å; P116-Y457 HydrophobicContact CG-CE2 4.03Å; P116-Y457 HydrophobicContact CG-CG 3.91Å
117M91.3Very high92.8Very high160 Ų16069 Ų6979%0.78834%0.339SS*.SBendtrans60.135.8-175.2-53.6-63-176.200113.6N115N115-M117 PolarHBondContact O-N 3.15Å; N115-M117 WeakPolarHBondContact OD1-CA 3.49Å; N115-M117 PolarHBondContact OD1-N 3.25Å
118L88.7Confident92.8Very high57 Ų5769.9 Ų69.930%0.29835%0.351SS..  trans-96.4150.7170.6-60.8175.5000109.7P116 E122 Y457P116-L118 VanDerWaalsContact C-N 3.3Å; P116-L118 HydrophobicContact CB-CD1 4.4Å; P116-L118 HydrophobicContact CB-CG 4.27Å; P116-L118 HydrophobicContact CG-CB 4.36Å; P116-L118 HydrophobicContact CG-CD1 3.83Å; P116-L118 HydrophobicContact CG-CG 3.89Å; P116-L118 PolarHBondContact O-N 3.26Å; L118-E122 VanDerWaalsContact CA-OE2 3.26Å; L118-E122 WeakPolarHBondContact CA-OE2 3.37Å; L118-E122 HydrophobicContact CB-CB 4.17Å; L118-E122 WeakPolarHBondContact CD2-OE2 3.49Å; L118-Y457 HydrophobicContact CB-CE1 3.98Å; L118-Y457 HydrophobicContact CD1-CD1 4.13Å; L118-Y457 HydrophobicContact CD1-CE1 4.22Å
119D91.4Very high92.9Very high88 Ų8867.8 Ų67.847%0.47134%0.342SS..  trans-79.6-179173.876.736.3000113E121 E122 R123D119-E121 WeakPolarHBondContact OD1-CA 3.37Å; D119-E121 WeakPolarHBondContact OD1-CB 3.28Å; D119-E121 PolarHBondContact OD1-N 2.82Å; D119-E122 PolarHBondContact N-OE2 2.88Å; D119-E122 PolarHBondContact OD1-N 3.09Å; D119-R123 WeakPolarHBondContact O-CB 3.29Å; D119-R123 PolarHBondContact O-N 3.26Å
120K91.4Very high93Very high135 Ų13568.7 Ų68.759%0.58735%0.347SS*.Hα-helixtrans-66.4-39.2-179-179.1-177.7169.1-169.50112.2E124K120-E124 WeakPolarHBondContact CE-OE1 3.42Å; K120-E124 WeakPolarHBondContact CG-OE1 3.1Å; K120-E124 IonicContact NZ-OE1 3.93Å; K120-E124 WeakPolarHBondContact O-CB 3.49Å; K120-E124 WeakPolarHBondContact O-CG 3.35Å; K120-E124 PolarHBondContact O-N 2.83Å; K120-E124 VanDerWaalsContact O-N 3.07Å
121E92.3Very high93.1Very high134 Ų13470.4 Ų70.463%0.62636%0.359SS*.Hα-helixtrans-73.2-45.2-176.2-61.1-174.9-171.600110.5D119 R123 E124 Q125D119-E121 WeakPolarHBondContact OD1-CA 3.37Å; D119-E121 WeakPolarHBondContact OD1-CB 3.28Å; D119-E121 PolarHBondContact OD1-N 2.82Å; E121-R123 VanDerWaalsContact C-N 3.28Å; E121-R123 PolarHBondContact O-N 3.14Å; E121-E124 PolarHBondContact O-N 3.43Å; E121-Q125 WeakPolarHBondContact O-CB 3.44Å; E121-Q125 VanDerWaalsContact O-CG 3.28Å; E121-Q125 WeakPolarHBondContact O-CG 3.38Å; E121-Q125 PolarHBondContact O-N 3.37Å
122E92.4Very high93.1Very high86 Ų8671.8 Ų71.840%0.40237%0.366SS..Hα-helixtrans-56.6-42.7173.7-70.1-175.2109.400111.9L118 D119 G126L118-E122 VanDerWaalsContact CA-OE2 3.26Å; L118-E122 WeakPolarHBondContact CA-OE2 3.37Å; L118-E122 HydrophobicContact CB-CB 4.17Å; L118-E122 WeakPolarHBondContact CD2-OE2 3.49Å; D119-E122 PolarHBondContact N-OE2 2.88Å; D119-E122 PolarHBondContact OD1-N 3.09Å; E122-G126 PolarHBondContact O-N 2.89Å
123R94.2Very high93.1Very high40 Ų4070.9 Ų70.915%0.15137%0.365CS..Hα-helixtrans-63.6-44.1176.6-179.3-170.767.2164.413.2112.1D119 E121 G126 W127 E454 Y457D119-R123 WeakPolarHBondContact O-CB 3.29Å; D119-R123 PolarHBondContact O-N 3.26Å; E121-R123 VanDerWaalsContact C-N 3.28Å; E121-R123 PolarHBondContact O-N 3.14Å; R123-G126 PolarHBondContact O-N 2.74Å; R123-W127 VanDerWaalsContact O-CD1 3.25Å; R123-W127 PolarHBondContact O-N 3.15Å; R123-E454 PolarHBondContact NH1-O 2.87Å; R123-E454 PolarHBondContact NH2-O 2.84Å; R123-Y457 HydrophobicContact CB-CD1 4.03Å; R123-Y457 HydrophobicContact CB-CE1 3.72Å; R123-Y457 HydrophobicContact CG-CD1 3.65Å; R123-Y457 HydrophobicContact CG-CE1 3.61Å; R123-Y457 HydrophobicContact CG-CG 4.42Å
124E93.9Very high93.3Very high76 Ų7671.8 Ų71.836%0.35536%0.36SS..Hα-helixtrans-67.4-43.3179.7-77.8167.4-166.400111.1K120 E121 G126 W127 V128K120-E124 WeakPolarHBondContact CE-OE1 3.42Å; K120-E124 WeakPolarHBondContact CG-OE1 3.1Å; K120-E124 IonicContact NZ-OE1 3.93Å; K120-E124 WeakPolarHBondContact O-CB 3.49Å; K120-E124 WeakPolarHBondContact O-CG 3.35Å; K120-E124 PolarHBondContact O-N 2.83Å; K120-E124 VanDerWaalsContact O-N 3.07Å; E121-E124 PolarHBondContact O-N 3.43Å; E124-G126 PolarHBondContact O-N 2.98Å; E124-W127 PolarHBondContact O-N 2.95Å; E124-V128 WeakPolarHBondContact O-CG2 3.45Å; E124-V128 PolarHBondContact O-N 2.84Å; E124-V128 VanDerWaalsContact O-N 3.16Å
125Q92.7Very high93.5Very high130 Ų13070.5 Ų70.561%0.60736%0.355SS*.Hα-helixtrans-56-39170.3-69.7173.228.800112.1E121 W127 V128 L129E121-Q125 WeakPolarHBondContact O-CB 3.44Å; E121-Q125 VanDerWaalsContact O-CG 3.28Å; E121-Q125 WeakPolarHBondContact O-CG 3.38Å; E121-Q125 PolarHBondContact O-N 3.37Å; Q125-W127 PolarHBondContact O-N 2.8Å; Q125-V128 PolarHBondContact O-N 3.29Å; Q125-V128 VanDerWaalsContact O-N 3.11Å; Q125-L129 PolarHBondContact O-N 3.42Å
126G93.9Very high93.9Very high8 Ų866.6 Ų66.68%0.08233%0.334CS..Hα-helixtrans-62.8-26.1176.700000115E122 R123 E124 S458E122-G126 PolarHBondContact O-N 2.89Å; R123-G126 PolarHBondContact O-N 2.74Å; E124-G126 PolarHBondContact O-N 2.98Å; G126-S458 WeakPolarHBondContact O-CB 3.47Å; G126-S458 PolarHBondContact O-OG 3.31Å
127W95.8Very high94.2Very high22 Ų2269.6 Ų69.68%0.08334%0.342CS..Hα-helixtrans-84.9-27.5172.3-73.5110.3000113.1R123 E124 Q125 L129 N438 I452 Q453 T456 Y457R123-W127 VanDerWaalsContact O-CD1 3.25Å; R123-W127 PolarHBondContact O-N 3.15Å; E124-W127 PolarHBondContact O-N 2.95Å; Q125-W127 PolarHBondContact O-N 2.8Å; W127-L129 VanDerWaalsContact C-N 3.31Å; W127-N438 WeakPolarHBondContact CH2-OD1 3.4Å; W127-N438 VanDerWaalsContact CZ3-ND2 3.26Å; W127-N438 WeakPolarHBondContact CZ3-ND2 3.47Å; W127-I452 HydrophobicContact CH2-CG2 4.36Å; W127-I452 HydrophobicContact CZ2-CG2 4.45Å; W127-Q453 HydrophobicContact CB-CG 4.42Å; W127-Q453 HydrophobicContact CD2-CB 4.17Å; W127-Q453 HydrophobicContact CD2-CG 3.76Å; W127-Q453 HydrophobicContact CE3-CG 3.9Å; W127-Q453 HydrophobicContact CG-CB 4.04Å; W127-Q453 HydrophobicContact CG-CG 3.99Å; W127-Q453 HydrophobicContact CZ3-CG 4.44Å; W127-Q453 PolarHBondContact NE1-O 3.06Å; W127-T456 WeakPolarHBondContact CZ2-OG1 3.44Å; W127-T456 PolarHBondContact NE1-O 3.4Å; W127-Y457 VanDerWaalsContact CZ2-C 3.46Å; W127-Y457 WeakPolarHBondContact CZ2-O 3.36Å
128V94.6Very high94.5Very high111 Ų11165.4 Ų65.467%0.67332%0.317SS*.Hα-helixtrans-80.4-8.4178.6176.90000113E124 Q125 I130E124-V128 WeakPolarHBondContact O-CG2 3.45Å; E124-V128 PolarHBondContact O-N 2.84Å; E124-V128 VanDerWaalsContact O-N 3.16Å; Q125-V128 PolarHBondContact O-N 3.29Å; Q125-V128 VanDerWaalsContact O-N 3.11Å; V128-I130 PolarHBondContact O-N 3.05Å
129L94.1Very high94.8Very high35 Ų3562.9 Ų62.918%0.18330%0.304CS..THydrogen-bonded Turntrans-51.5-30.8177.7-179.663000114Q125 W127 K364 W460 W464Q125-L129 PolarHBondContact O-N 3.42Å; W127-L129 VanDerWaalsContact C-N 3.31Å; L129-K364 WeakPolarHBondContact O-CE 3.39Å; L129-K364 PolarHBondContact O-NZ 3.09Å; L129-W460 HydrophobicContact CD2-CB 3.91Å; L129-W464 HydrophobicContact CD1-CD2 4.5Å; L129-W464 HydrophobicContact CD1-CG 4.26Å; L129-W464 HydrophobicContact CD2-CB 3.76Å; L129-W464 HydrophobicContact CD2-CG 4.01Å
130I96.2Very high95.1Very high22 Ų2260.2 Ų60.211%0.11330%0.297CS..  trans-120.6116.5178.4-66.2172.7000109V128 L132 M367 V368 E371 W460V128-I130 PolarHBondContact O-N 3.05Å; I130-L132 HydrophobicContact CG2-CD2 4.15Å; I130-M367 HydrophobicContact CD1-CB 3.51Å; I130-V368 HydrophobicContact CD1-CG2 4.49Å; I130-V368 HydrophobicContact CG1-CG2 4.2Å; I130-V368 HydrophobicContact CG2-CG2 4.01Å; I130-E371 HydrophobicContact CD1-CG 3.96Å; I130-E371 HydrophobicContact CG2-CB 4.06Å; I130-E371 HydrophobicContact CG2-CG 4.19Å; I130-W460 HydrophobicContact CD1-CB 4.21Å; I130-W460 VanDerWaalsContact CD1-CD1 3.47Å; I130-W460 HydrophobicContact CD1-CD2 4.33Å; I130-W460 HydrophobicContact CD1-CG 3.76Å
131D94.7Very high95.4Very high80 Ų8054 Ų5443%0.42827%0.27SS..  trans-112119168.7-175.9-4.3000108.9S133 E134 E135D131-S133 VanDerWaalsContact C-N 3.31Å; D131-S133 WeakPolarHBondContact OD1-CB 3.45Å; D131-S133 PolarHBondContact OD1-N 3.44Å; D131-E134 HydrophobicContact CB-CB 4.29Å; D131-E134 HydrophobicContact CB-CG 4.09Å; D131-E134 PolarHBondContact O-N 2.81Å; D131-E135 PolarHBondContact O-N 2.95Å
132L95.5Very high95.7Very high31 Ų3151.6 Ų51.616%0.16227%0.266CS..Hα-helixtrans-73.2-24.4178.2-62.7-177.7000112.3I130 E134 E135 Y136 V368 E371 K372I130-L132 HydrophobicContact CG2-CD2 4.15Å; L132-E134 VanDerWaalsContact C-N 3.33Å; L132-E135 WeakPolarHBondContact O-CB 3.22Å; L132-E135 PolarHBondContact O-N 2.98Å; L132-Y136 WeakPolarHBondContact O-CD2 3.45Å; L132-Y136 PolarHBondContact O-N 3.23Å; L132-Y136 VanDerWaalsContact O-N 3.09Å; L132-V368 HydrophobicContact CD2-CG1 4.44Å; L132-E371 HydrophobicContact CD2-CB 4.23Å; L132-K372 HydrophobicContact CD2-CB 3.95Å
133S95.4Very high95.9Very high23 Ų2349.3 Ų49.316%0.16126%0.257CS..Hα-helixtrans-66.6-36.2173.3-105.90000111.1D131 K137 E164D131-S133 VanDerWaalsContact C-N 3.31Å; D131-S133 WeakPolarHBondContact OD1-CB 3.45Å; D131-S133 PolarHBondContact OD1-N 3.44Å; S133-K137 WeakPolarHBondContact O-CG 3.41Å; S133-K137 PolarHBondContact O-N 3.17Å; S133-K137 VanDerWaalsContact O-N 3.1Å; S133-E164 PolarHBondContact OG-OE2 2.89Å
134E96.4Very high96Very high98 Ų9855.2 Ų55.246%0.45829%0.286SS..Hα-helixtrans-68-31.9170.4-67.2-54.4130.100112.9D131 L132 K137 R138D131-E134 HydrophobicContact CB-CB 4.29Å; D131-E134 HydrophobicContact CB-CG 4.09Å; D131-E134 PolarHBondContact O-N 2.81Å; L132-E134 VanDerWaalsContact C-N 3.33Å; E134-K137 PolarHBondContact O-N 3.07Å; E134-K137 WeakPolarHBondContact OE1-CD 3.45Å; E134-K137 IonicContact OE1-NZ 3.1Å; E134-K137 PolarHBondContact OE1-NZ 3.26Å; E134-R138 WeakPolarHBondContact O-CB 3.15Å; E134-R138 PolarHBondContact O-N 2.83Å
135E97.4Very high96.2Very high6 Ų654.2 Ų54.23%0.02828%0.281CS..Hα-helixtrans-65.9-43.1174.2172.749.9-148.400112.2D131 L132 K137 R138 M139 H359 Y360 V368 K372D131-E135 PolarHBondContact O-N 2.95Å; L132-E135 WeakPolarHBondContact O-CB 3.22Å; L132-E135 PolarHBondContact O-N 2.98Å; E135-K137 PolarHBondContact O-N 2.96Å; E135-R138 WeakPolarHBondContact O-CB 3.23Å; E135-R138 PolarHBondContact O-N 3Å; E135-R138 IonicContact OE1-CZ 3.55Å; E135-R138 IonicContact OE1-NE 3.66Å; E135-R138 PolarHBondContact OE1-NE 3.19Å; E135-R138 IonicContact OE1-NH2 3Å; E135-R138 PolarHBondContact OE1-NH2 2.87Å; E135-R138 IonicContact OE2-CZ 3.24Å; E135-R138 IonicContact OE2-NE 2.69Å; E135-R138 PolarHBondContact OE2-NE 3.11Å; E135-R138 IonicContact OE2-NH2 3.73Å; E135-M139 HydrophobicContact CG-CE 4.09Å; E135-M139 PolarHBondContact O-N 2.87Å; E135-H359 IonicContact OE2-CD2 3.73Å; E135-H359 IonicContact OE2-NE2 2.69Å; E135-Y360 PolarHBondContact OE1-OH 3.35Å; E135-V368 HydrophobicContact CB-CG1 3.81Å; E135-V368 HydrophobicContact CG-CG1 3.62Å; E135-K372 HydrophobicContact CG-CD 4.12Å
136Y97.6Very high96.5Very high6 Ų648 Ų482%0.02425%0.252CS..Hα-helixtrans-65.8-37.2173.8-72.8-73.2000112.1L132 M139 G140 L141 Y166L132-Y136 WeakPolarHBondContact O-CD2 3.45Å; L132-Y136 PolarHBondContact O-N 3.23Å; L132-Y136 VanDerWaalsContact O-N 3.09Å; Y136-M139 HydrophobicContact CD1-CE 3.57Å; Y136-M139 HydrophobicContact CE1-CE 3.84Å; Y136-M139 HydrophobicContact CG-CE 4.25Å; Y136-M139 CarbonylContact O-C 3.51Å; Y136-M139 PolarHBondContact O-N 3.48Å; Y136-G140 PolarHBondContact O-N 3.45Å; Y136-L141 HydrophobicContact CD1-CD1 3.8Å; Y136-L141 WeakPolarHBondContact O-CB 3.41Å; Y136-L141 PolarHBondContact O-N 3.45Å; Y136-Y166 HydrophobicContact CD1-CD1 4.44Å; Y136-Y166 AromaticContact CD1-CD2 3.45Å; Y136-Y166 HydrophobicContact CD1-CD2 3.45Å; Y136-Y166 VanDerWaalsContact CD1-CD2 3.45Å; Y136-Y166 AromaticContact CD1-CE2 3.68Å; Y136-Y166 HydrophobicContact CD1-CE2 3.68Å; Y136-Y166 AromaticContact CD1-CG 3.87Å; Y136-Y166 HydrophobicContact CD1-CG 3.87Å; Y136-Y166 AromaticContact CD2-CD2 3.72Å; Y136-Y166 HydrophobicContact CD2-CD2 3.72Å; Y136-Y166 AromaticContact CD2-CE2 3.33Å; Y136-Y166 HydrophobicContact CD2-CE2 3.33Å; Y136-Y166 AromaticContact CE1-CD2 3.56Å; Y136-Y166 HydrophobicContact CE1-CD2 3.56Å; Y136-Y166 HydrophobicContact CE1-CE2 4.16Å; Y136-Y166 HydrophobicContact CE1-CG 4.05Å; Y136-Y166 AromaticContact CE2-CD2 3.83Å; Y136-Y166 HydrophobicContact CE2-CD2 3.83Å; Y136-Y166 AromaticContact CE2-CE2 3.86Å; Y136-Y166 HydrophobicContact CE2-CE2 3.86Å; Y136-Y166 AromaticContact CG-CD2 3.54Å; Y136-Y166 HydrophobicContact CG-CD2 3.54Å; Y136-Y166 HydrophobicContact CG-CE1 4.49Å; Y136-Y166 AromaticContact CG-CE2 3.24Å; Y136-Y166 HydrophobicContact CG-CE2 3.24Å; Y136-Y166 HydrophobicContact CG-CG 4.3Å; Y136-Y166 AromaticContact CG-CZ 3.77Å; Y136-Y166 AromaticContact CZ-CD2 3.75Å
137K97.7Very high96.7Very high114 Ų11450.8 Ų50.850%0.49626%0.263SS..Hα-helixtrans-62.7-40.9170.7-69169.7-165.9170.20112S133 E134 E135 M139 G140S133-K137 WeakPolarHBondContact O-CG 3.41Å; S133-K137 PolarHBondContact O-N 3.17Å; S133-K137 VanDerWaalsContact O-N 3.1Å; E134-K137 PolarHBondContact O-N 3.07Å; E134-K137 WeakPolarHBondContact OE1-CD 3.45Å; E134-K137 IonicContact OE1-NZ 3.1Å; E134-K137 PolarHBondContact OE1-NZ 3.26Å; E135-K137 PolarHBondContact O-N 2.96Å; K137-M139 VanDerWaalsContact C-N 3.29Å; K137-M139 PolarHBondContact O-N 3.07Å; K137-G140 WeakPolarHBondContact O-CA 3.32Å; K137-G140 PolarHBondContact O-N 3.36Å
138R97.6Very high96.8Very high72 Ų7253.3 Ų53.327%0.27228%0.278SS..Hα-helixtrans-59.4-39.8173.3-170.8-158.765.986.81.1111E134 E135 G140 K196 D357 H359E134-R138 WeakPolarHBondContact O-CB 3.15Å; E134-R138 PolarHBondContact O-N 2.83Å; E135-R138 WeakPolarHBondContact O-CB 3.23Å; E135-R138 PolarHBondContact O-N 3Å; E135-R138 IonicContact OE1-CZ 3.55Å; E135-R138 IonicContact OE1-NE 3.66Å; E135-R138 PolarHBondContact OE1-NE 3.19Å; E135-R138 IonicContact OE1-NH2 3Å; E135-R138 PolarHBondContact OE1-NH2 2.87Å; E135-R138 IonicContact OE2-CZ 3.24Å; E135-R138 IonicContact OE2-NE 2.69Å; E135-R138 PolarHBondContact OE2-NE 3.11Å; E135-R138 IonicContact OE2-NH2 3.73Å; R138-G140 PolarHBondContact O-N 2.85Å; R138-K196 WeakPolarHBondContact O-CE 3.35Å; R138-K196 PolarHBondContact O-NZ 3.19Å; R138-D357 IonicContact CZ-OD2 3.3Å; R138-D357 VanDerWaalsContact CZ-OD2 3.24Å; R138-D357 IonicContact NH1-OD1 3.51Å; R138-D357 PolarHBondContact NH1-OD1 2.85Å; R138-D357 IonicContact NH1-OD2 3.83Å; R138-D357 PolarHBondContact NH1-OD2 3.39Å; R138-D357 IonicContact NH2-OD2 3.08Å; R138-D357 PolarHBondContact NH2-OD2 2.82Å; R138-H359 PolarHBondContact NE-CD2 3.29Å; R138-H359 VanDerWaalsContact NE-CD2 3.28Å; R138-H359 VanDerWaalsContact NH1-CB 3.3Å
139M96.6Very high96.8Very high3 Ų348.6 Ų48.62%0.01525%0.25CC..THydrogen-bonded Turntrans-70.8-3.1170.4-75.5-171.4-75.400114.5E135 Y136 K137 L141 Y193 Y194 K196 K372E135-M139 HydrophobicContact CG-CE 4.09Å; E135-M139 PolarHBondContact O-N 2.87Å; Y136-M139 HydrophobicContact CD1-CE 3.57Å; Y136-M139 HydrophobicContact CE1-CE 3.84Å; Y136-M139 HydrophobicContact CG-CE 4.25Å; Y136-M139 CarbonylContact O-C 3.51Å; Y136-M139 PolarHBondContact O-N 3.48Å; K137-M139 VanDerWaalsContact C-N 3.29Å; K137-M139 PolarHBondContact O-N 3.07Å; M139-L141 HydrophobicContact CB-CD1 3.77Å; M139-L141 HydrophobicContact CB-CG 4.3Å; M139-L141 HydrophobicContact CE-CD1 4.48Å; M139-Y193 HydrophobicContact CG-CE2 4.47Å; M139-Y193 HydrophobicContact SD-CD2 3.53Å; M139-Y193 VanDerWaalsContact SD-CD2 3.53Å; M139-Y193 HydrophobicContact SD-CE2 4.05Å; M139-Y193 HydrophobicContact SD-CG 4.38Å; M139-Y194 WeakPolarHBondContact O-CD1 3.29Å; M139-K196 WeakPolarHBondContact O-CE 3.13Å; M139-K372 HydrophobicContact CE-CD 4.45Å
140G97.4Very high96.7Very high32 Ų3251.5 Ų51.533%0.3327%0.265SS..THydrogen-bonded Turntrans78.240.2177.600000112.9Y136 K137 R138 N143Y136-G140 PolarHBondContact O-N 3.45Å; K137-G140 WeakPolarHBondContact O-CA 3.32Å; K137-G140 PolarHBondContact O-N 3.36Å; R138-G140 PolarHBondContact O-N 2.85Å; G140-N143 WeakPolarHBondContact O-CB 3.38Å; G140-N143 PolarHBondContact O-ND2 3.45Å
141L97.5Very high96.7Very high5 Ų551.5 Ų51.53%0.02627%0.266CS..  trans-125.5149.2-177.3-57.2159.3000110.2Y136 M139 N143 W146 Y166 L191 Y194Y136-L141 HydrophobicContact CD1-CD1 3.8Å; Y136-L141 WeakPolarHBondContact O-CB 3.41Å; Y136-L141 PolarHBondContact O-N 3.45Å; M139-L141 HydrophobicContact CB-CD1 3.77Å; M139-L141 HydrophobicContact CB-CG 4.3Å; M139-L141 HydrophobicContact CE-CD1 4.48Å; L141-N143 WeakPolarHBondContact CD2-ND2 3.35Å; L141-W146 HydrophobicContact CD2-CB 3.51Å; L141-W146 HydrophobicContact CD2-CG 4Å; L141-Y166 HydrophobicContact CB-CD1 4.01Å; L141-Y166 HydrophobicContact CB-CE1 3.82Å; L141-L191 HydrophobicContact CD1-CD2 3.46Å; L141-L191 VanDerWaalsContact CD1-CD2 3.46Å; L141-L191 HydrophobicContact CD2-CD2 4.2Å; L141-L191 HydrophobicContact CG-CD2 4.49Å; L141-Y194 HydrophobicContact CD2-CD1 4.22Å; L141-Y194 HydrophobicContact CD2-CG 4.17Å; L141-Y194 HydrophobicContact CG-CD1 4.48Å
142P97.8Very high96.8Very high83 Ų8347.7 Ų47.754%0.53925%0.246SC..SBendcis-68.6161-7.131.9-37.2000112.6W146 Y166P142-W146 WeakPolarHBondContact CA-O 3.18Å; P142-W146 WeakPolarHBondContact CB-O 3.31Å; P142-Y166 HydrophobicContact CB-CE1 4.32Å
143N97.3Very high96.8Very high38 Ų3852.6 Ų52.620%0.20326%0.262CS..  trans-145.5-157.6-179.165.135.3000112.5G140 L141 H145 W146G140-N143 WeakPolarHBondContact O-CB 3.38Å; G140-N143 PolarHBondContact O-ND2 3.45Å; L141-N143 WeakPolarHBondContact CD2-ND2 3.35Å; N143-H145 VanDerWaalsContact C-N 3.32Å; N143-H145 PolarHBondContact OD1-N 2.83Å; N143-W146 PolarHBondContact N-O 2.9Å; N143-W146 PolarHBondContact OD1-N 3.42Å
144H96.5Very high96.9Very high165 Ų16556 Ų5676%0.76428%0.279SS*.SBendtrans-69-28.2179.3-68.5-79.8000113.5K169H144-K169 VanDerWaalsContact O-CD 3.31Å; H144-K169 WeakPolarHBondContact O-CD 3.48Å
145H97.9Very high96.9Very high54 Ų5452.7 Ų52.725%0.2526%0.262CS..SBendtrans-102.7-29.7-175.1-59.5-77.6000113.4N143 P168 K169 A229N143-H145 VanDerWaalsContact C-N 3.32Å; N143-H145 PolarHBondContact OD1-N 2.83Å; H145-P168 CarbonylContact O-C 3.48Å; H145-P168 WeakPolarHBondContact O-CA 3.4Å; H145-K169 PolarHBondContact O-N 3.38Å; H145-A229 HydrophobicContact CB-CB 4.15Å; H145-A229 WeakPolarHBondContact CB-O 3.24Å; H145-A229 VanDerWaalsContact CG-O 3.32Å; H145-A229 PolarHBondContact ND1-O 2.87Å
146W98.6Very high96.8Very high1 Ų160.9 Ų60.90%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-127.2141.7-172.7-67.792.2000112.2L141 P142 N143 V167 P168 L191 Y194 S201 C203 I226 A229L141-W146 HydrophobicContact CD2-CB 3.51Å; L141-W146 HydrophobicContact CD2-CG 4Å; P142-W146 WeakPolarHBondContact CA-O 3.18Å; P142-W146 WeakPolarHBondContact CB-O 3.31Å; N143-W146 PolarHBondContact N-O 2.9Å; N143-W146 PolarHBondContact OD1-N 3.42Å; W146-V167 WeakPolarHBondContact CA-O 3.48Å; W146-P168 HydrophobicContact CE3-CG 4.42Å; W146-P168 HydrophobicContact CH2-CG 3.88Å; W146-P168 VanDerWaalsContact CZ3-CD 3.49Å; W146-P168 HydrophobicContact CZ3-CG 3.84Å; W146-L191 HydrophobicContact CD2-CD1 4.28Å; W146-L191 HydrophobicContact CD2-CD2 4.14Å; W146-L191 HydrophobicContact CE3-CB 3.96Å; W146-L191 HydrophobicContact CE3-CD1 4.17Å; W146-L191 HydrophobicContact CE3-CD2 3.99Å; W146-L191 HydrophobicContact CE3-CG 4.28Å; W146-L191 HydrophobicContact CG-CD2 4.48Å; W146-L191 HydrophobicContact CH2-CB 4.44Å; W146-L191 HydrophobicContact CH2-CD1 3.97Å; W146-L191 HydrophobicContact CZ2-CD1 4.04Å; W146-L191 HydrophobicContact CZ3-CB 3.76Å; W146-L191 HydrophobicContact CZ3-CD1 4.01Å; W146-L191 HydrophobicContact CZ3-CG 4.32Å; W146-Y194 AromaticContact CD1-CD2 3.73Å; W146-Y194 AromaticContact CD1-CE2 3.64Å; W146-Y194 AromaticContact NE1-CD2 3.64Å; W146-Y194 AromaticContact NE1-CE2 3.68Å; W146-S201 WeakPolarHBondContact CZ2-OG 3.42Å; W146-C203 VanDerWaalsContact CH2-SG 3.56Å; W146-I226 HydrophobicContact CH2-CG1 4.24Å; W146-I226 HydrophobicContact CH2-CG2 4.47Å; W146-A229 HydrophobicContact CZ2-CB 3.8Å
147Q97.9Very high96.8Very high65 Ų6561.3 Ų61.330%0.30430%0.296SS..EExtended strand (participates in β ladder)trans-134.7153.3179.370.3-172.9-2.100112.1Y166 V167 K169Q147-Y166 WeakPolarHBondContact O-CA 3.35Å; Q147-V167 HydrophobicContact CG-CG2 4.07Å; Q147-V167 PolarHBondContact N-O 2.89Å; Q147-V167 PolarHBondContact O-N 2.88Å; Q147-K169 PolarHBondContact NE2-O 3.14Å
148L97.8Very high96.9Very high76 Ų7656 Ų5640%0.39827%0.273SS..EExtended strand (participates in β ladder)trans-69.6134.5164.817864000109.1E164 Y166L148-E164 HydrophobicContact CD1-CB 3.81Å; L148-E164 HydrophobicContact CD1-CG 4.23Å; L148-Y166 HydrophobicContact CB-CD1 4.46Å; L148-Y166 HydrophobicContact CB-CE1 3.99Å; L148-Y166 HydrophobicContact CB-CE2 4.46Å; L148-Y166 HydrophobicContact CD1-CD2 4.19Å; L148-Y166 HydrophobicContact CD1-CE2 3.79Å
149S95.6Very high96.9Very high12 Ų1256.4 Ų56.48%0.08428%0.281CS..EExtended strand (participates in β ladder)trans-112.3132.8174.1-1740000110.5V151 L165S149-V151 VanDerWaalsContact C-N 3.33Å; S149-V151 WeakPolarHBondContact OG-CB 3.48Å; S149-V151 WeakPolarHBondContact OG-CG1 3.43Å; S149-V151 PolarHBondContact OG-N 2.82Å; S149-L165 PolarHBondContact N-O 3.33Å
150D91.6Very high97Very high96 Ų9656.9 Ų56.951%0.51328%0.284SS..  trans-928.6173.268-17.5000113.4N152 R153D150-N152 PolarHBondContact O-N 2.89Å; D150-N152 VanDerWaalsContact O-N 3.12Å; D150-R153 VanDerWaalsContact CB-NH2 3.27Å; D150-R153 WeakPolarHBondContact O-CB 3.44Å; D150-R153 PolarHBondContact O-N 2.85Å; D150-R153 IonicContact OD2-CZ 3.59Å; D150-R153 IonicContact OD2-NH1 3.68Å; D150-R153 IonicContact OD2-NH2 3.58Å; D150-R153 PolarHBondContact OD2-NH2 3.41Å
151V95.5Very high97Very high22 Ų2255.3 Ų55.313%0.13327%0.268CS..THydrogen-bonded Turntrans-59.3-27.5-178.279.50000112.8S149 V157 I176 V177 F188S149-V151 VanDerWaalsContact C-N 3.33Å; S149-V151 WeakPolarHBondContact OG-CB 3.48Å; S149-V151 WeakPolarHBondContact OG-CG1 3.43Å; S149-V151 PolarHBondContact OG-N 2.82Å; V151-V157 HydrophobicContact CG2-CG2 3.94Å; V151-V157 WeakPolarHBondContact O-CG2 3.41Å; V151-I176 HydrophobicContact CG1-CG2 3.76Å; V151-I176 HydrophobicContact CG2-CG2 4.49Å; V151-V177 HydrophobicContact CG2-CG2 3.83Å; V151-F188 HydrophobicContact CG1-CZ 4.1Å
152N97.6Very high97Very high0 Ų055.4 Ų55.40%027%0.269CS..THydrogen-bonded Turntrans-102.817.8175.6-153.944000113.9D150 D154 Y155 V157 C158 Y161 P162 L165D150-N152 PolarHBondContact O-N 2.89Å; D150-N152 VanDerWaalsContact O-N 3.12Å; N152-D154 PolarHBondContact O-N 2.97Å; N152-Y155 WeakPolarHBondContact O-CA 3.34Å; N152-Y155 PolarHBondContact O-N 3.47Å; N152-V157 PolarHBondContact OD1-N 2.83Å; N152-C158 PolarHBondContact ND2-O 3.12Å; N152-C158 PolarHBondContact OD1-N 2.72Å; N152-C158 PolarHBondContact OD1-O 3.41Å; N152-Y161 PolarHBondContact ND2-O 3.31Å; N152-P162 PolarHBondContact ND2-O 3.46Å; N152-L165 HydrophobicContact CB-CD1 3.56Å; N152-L165 HydrophobicContact CB-CG 4.45Å
153R96.1Very high97Very high134 Ų13452.3 Ų52.351%0.50625%0.249SC..G310 helixtrans-54.3137.7165.3-173.6179.6-64.2155.612108.7D150 Y155 R156D150-R153 VanDerWaalsContact CB-NH2 3.27Å; D150-R153 WeakPolarHBondContact O-CB 3.44Å; D150-R153 PolarHBondContact O-N 2.85Å; D150-R153 IonicContact OD2-CZ 3.59Å; D150-R153 IonicContact OD2-NH1 3.68Å; D150-R153 IonicContact OD2-NH2 3.58Å; D150-R153 PolarHBondContact OD2-NH2 3.41Å; R153-Y155 PolarHBondContact O-N 2.96Å; R153-Y155 VanDerWaalsContact O-N 3.11Å; R153-R156 VanDerWaalsContact O-CD 3.3Å; R153-R156 WeakPolarHBondContact O-CD 3.38Å; R153-R156 WeakPolarHBondContact O-CG 2.98Å; R153-R156 PolarHBondContact O-N 2.64Å; R153-R156 PolarHBondContact O-NE 3.01Å
154D95.9Very high96.8Very high95 Ų9554.3 Ų54.351%0.50826%0.257SS..G310 helixtrans54.623.8-173.5-35.4-45.1000114.3N152 R156N152-D154 PolarHBondContact O-N 2.97Å; D154-R156 HydrophobicContact CB-CG 4.3Å; D154-R156 PolarHBondContact O-N 3.33Å; D154-R156 IonicContact OD2-CZ 2.99Å; D154-R156 VanDerWaalsContact OD2-CZ 3.3Å; D154-R156 IonicContact OD2-NE 3.25Å; D154-R156 PolarHBondContact OD2-NE 3.21Å; D154-R156 VanDerWaalsContact OD2-NE 3.08Å; D154-R156 IonicContact OD2-NH2 2.77Å; D154-R156 PolarHBondContact OD2-NH2 2.87Å
155Y97.6Very high96.9Very high27 Ų2746.4 Ų46.411%0.10622%0.22CC..G310 helixtrans60.726.3178.3-53.3-76.8000114.9N152 R153 V157 Y161 T163 Q444 K445 R448N152-Y155 WeakPolarHBondContact O-CA 3.34Å; N152-Y155 PolarHBondContact O-N 3.47Å; R153-Y155 PolarHBondContact O-N 2.96Å; R153-Y155 VanDerWaalsContact O-N 3.11Å; Y155-V157 VanDerWaalsContact C-N 3.3Å; Y155-V157 PolarHBondContact O-N 3.4Å; Y155-Y161 VanDerWaalsContact CD1-O 3.27Å; Y155-Y161 WeakPolarHBondContact CD1-O 3.43Å; Y155-Y161 VanDerWaalsContact CE1-O 3.26Å; Y155-Y161 WeakPolarHBondContact CE1-O 3.37Å; Y155-T163 HydrophobicContact CD1-CG2 3.98Å; Y155-T163 HydrophobicContact CD2-CG2 4.15Å; Y155-T163 HydrophobicContact CE1-CG2 3.6Å; Y155-T163 HydrophobicContact CE2-CG2 3.8Å; Y155-T163 HydrophobicContact CG-CG2 4.23Å; Y155-T163 VanDerWaalsContact CZ-CG2 3.5Å; Y155-Q444 HydrophobicContact CE1-CB 4.22Å; Y155-Q444 WeakPolarHBondContact OH-CG 3.27Å; Y155-Q444 PolarHBondContact OH-O 3.41Å; Y155-Q444 PolarHBondContact OH-OE1 2.8Å; Y155-K445 HydrophobicContact CD1-CB 3.93Å; Y155-K445 HydrophobicContact CD2-CB 3.73Å; Y155-K445 HydrophobicContact CD2-CD 4.07Å; Y155-K445 HydrophobicContact CD2-CG 3.62Å; Y155-K445 HydrophobicContact CE1-CB 3.91Å; Y155-K445 HydrophobicContact CE2-CB 3.69Å; Y155-K445 HydrophobicContact CE2-CG 3.91Å; Y155-K445 HydrophobicContact CG-CB 3.84Å; Y155-K445 HydrophobicContact CG-CD 4.06Å; Y155-K445 HydrophobicContact CG-CG 3.99Å; Y155-K445 VanDerWaalsContact CZ-CA 3.47Å; Y155-K445 PolarHBondContact OH-N 2.9Å; Y155-R448 WeakPolarHBondContact OH-CD 3.43Å; Y155-R448 VanDerWaalsContact OH-CZ 3.24Å; Y155-R448 PolarHBondContact OH-NE 3.03Å; Y155-R448 PolarHBondContact OH-NH1 3.25Å
156R95.7Very high96.9Very high178 Ų17844.2 Ų44.267%0.67221%0.21SC*.SBendtrans-64-27.4-171.8-68.4167.6-167.9-1454114.8R153 D154R153-R156 VanDerWaalsContact O-CD 3.3Å; R153-R156 WeakPolarHBondContact O-CD 3.38Å; R153-R156 WeakPolarHBondContact O-CG 2.98Å; R153-R156 PolarHBondContact O-N 2.64Å; R153-R156 PolarHBondContact O-NE 3.01Å; D154-R156 HydrophobicContact CB-CG 4.3Å; D154-R156 PolarHBondContact O-N 3.33Å; D154-R156 IonicContact OD2-CZ 2.99Å; D154-R156 VanDerWaalsContact OD2-CZ 3.3Å; D154-R156 IonicContact OD2-NE 3.25Å; D154-R156 PolarHBondContact OD2-NE 3.21Å; D154-R156 VanDerWaalsContact OD2-NE 3.08Å; D154-R156 IonicContact OD2-NH2 2.77Å; D154-R156 PolarHBondContact OD2-NH2 2.87Å
157V97.6Very high96.9Very high16 Ų1644.1 Ų44.110%0.09721%0.21CC..SBendtrans-99.9-48.4-178.4171.60000111.4V151 N152 Y155 V177 S180 R186 F188V151-V157 HydrophobicContact CG2-CG2 3.94Å; V151-V157 WeakPolarHBondContact O-CG2 3.41Å; N152-V157 PolarHBondContact OD1-N 2.83Å; Y155-V157 VanDerWaalsContact C-N 3.3Å; Y155-V157 PolarHBondContact O-N 3.4Å; V157-V177 HydrophobicContact CG2-CG2 4.13Å; V157-S180 VanDerWaalsContact CG1-CB 3.45Å; V157-S180 WeakPolarHBondContact CG1-OG 3.27Å; V157-R186 VanDerWaalsContact O-CB 3.29Å; V157-R186 WeakPolarHBondContact O-CB 3.38Å; V157-R186 WeakPolarHBondContact O-CD 3.45Å; V157-F188 HydrophobicContact CB-CE1 4.45Å; V157-F188 HydrophobicContact CG1-CD1 3.87Å; V157-F188 HydrophobicContact CG1-CE1 3.62Å
158C98.3Very high96.9Very high2 Ų241.1 Ų41.11%0.01420%0.195CC..  trans-142.2119.2-179.2-175.50000110.4N152 S160 Y161 R185 R186 R187N152-C158 PolarHBondContact ND2-O 3.12Å; N152-C158 PolarHBondContact OD1-N 2.72Å; N152-C158 PolarHBondContact OD1-O 3.41Å; C158-S160 PolarHBondContact SG-OG 3.3Å; C158-Y161 HydrophobicContact CB-CD2 4.12Å; C158-Y161 HydrophobicContact CB-CG 4.23Å; C158-R185 PolarHBondContact SG-O 3.23Å; C158-R185 VanDerWaalsContact SG-O 3.37Å; C158-R186 HydrophobicContact CB-CB 4.28Å; C158-R186 WeakPolarHBondContact CB-O 3.49Å; C158-R187 WeakPolarHBondContact SG-CG 3.3Å
159D98Very high96.9Very high81 Ų8142.8 Ų42.843%0.43320%0.2SC..THydrogen-bonded Turntrans-69.9-31.5-179.749.213.8000114.4K445D159-K445 HydrophobicContact CB-CD 3.95Å
160S98.2Very high97Very high12 Ų1245.3 Ų45.38%0.08422%0.217CC..THydrogen-bonded Turntrans-90.14.9179.759.40000114.1C158 R187 F377 G378C158-S160 PolarHBondContact SG-OG 3.3Å; S160-R187 VanDerWaalsContact CB-NH1 3.28Å; S160-R187 PolarHBondContact O-NH1 2.88Å; S160-R187 WeakPolarHBondContact OG-CD 3.31Å; S160-R187 PolarHBondContact OG-NH1 3.02Å; S160-F377 CarbonylContact O-C 3.52Å; S160-G378 WeakPolarHBondContact O-CA 3.26Å
161Y98.4Very high97.3Very high0 Ų040.9 Ų40.90%019%0.194CC..SBendtrans-106.2156.7171.7-89.1-0.3000111.5N152 Y155 C158 L165 R187 F188 V190 R204 F377N152-Y161 PolarHBondContact ND2-O 3.31Å; Y155-Y161 VanDerWaalsContact CD1-O 3.27Å; Y155-Y161 WeakPolarHBondContact CD1-O 3.43Å; Y155-Y161 VanDerWaalsContact CE1-O 3.26Å; Y155-Y161 WeakPolarHBondContact CE1-O 3.37Å; C158-Y161 HydrophobicContact CB-CD2 4.12Å; C158-Y161 HydrophobicContact CB-CG 4.23Å; Y161-L165 HydrophobicContact CD2-CD1 3.93Å; Y161-L165 HydrophobicContact CD2-CD2 4.18Å; Y161-L165 HydrophobicContact CG-CD2 4.39Å; Y161-R187 HydrophobicContact CD1-CG 4.24Å; Y161-R187 HydrophobicContact CE1-CB 3.96Å; Y161-R187 HydrophobicContact CE1-CG 3.96Å; Y161-R187 VanDerWaalsContact CE1-CZ 3.48Å; Y161-R187 HydrophobicContact CE2-CB 4.28Å; Y161-F188 HydrophobicContact CD2-CD1 4.44Å; Y161-F188 HydrophobicContact CD2-CE1 4.21Å; Y161-F188 HydrophobicContact CE2-CD1 4.28Å; Y161-F188 HydrophobicContact CE2-CE1 4.42Å; Y161-F188 WeakPolarHBondContact CE2-O 3.22Å; Y161-F188 PolarHBondContact OH-O 3.07Å; Y161-V190 HydrophobicContact CD2-CG1 4.32Å; Y161-V190 HydrophobicContact CE2-CG1 3.72Å; Y161-V190 HydrophobicContact CE2-CG2 4.27Å; Y161-R204 PolarHBondContact OH-O 2.89Å; Y161-F377 AromaticContact CD1-CD1 3.71Å; Y161-F377 HydrophobicContact CD1-CD1 3.71Å; Y161-F377 HydrophobicContact CD1-CE1 4.19Å; Y161-F377 AromaticContact CE1-CD1 3.78Å; Y161-F377 HydrophobicContact CE1-CD1 3.78Å; Y161-F377 HydrophobicContact CE1-CE1 4.19Å; Y161-F377 HydrophobicContact CG-CD1 4.43Å
162P97.4Very high97.4Very high6 Ų643.5 Ų43.54%0.03921%0.21CC..  trans-67.2163.1173.929.7-34000111.6N152 E164 L165 S376 F377N152-P162 PolarHBondContact ND2-O 3.46Å; P162-E164 VanDerWaalsContact C-N 3.29Å; P162-E164 PolarHBondContact O-N 2.88Å; P162-L165 HydrophobicContact CG-CD2 3.7Å; P162-S376 VanDerWaalsContact CD-O 3.23Å; P162-S376 WeakPolarHBondContact CD-O 3.39Å; P162-F377 HydrophobicContact CG-CD1 4.26Å; P162-F377 HydrophobicContact CG-CE1 3.99Å; P162-F377 HydrophobicContact CG-CZ 4.29Å
163T96.7Very high97.4Very high18 Ų1846.5 Ų46.511%0.1124%0.235CC..SBendtrans-73.6-19.9176.854.50000114.2Y155 R448Y155-T163 HydrophobicContact CD1-CG2 3.98Å; Y155-T163 HydrophobicContact CD2-CG2 4.15Å; Y155-T163 HydrophobicContact CE1-CG2 3.6Å; Y155-T163 HydrophobicContact CE2-CG2 3.8Å; Y155-T163 HydrophobicContact CG-CG2 4.23Å; Y155-T163 VanDerWaalsContact CZ-CG2 3.5Å; T163-R448 PolarHBondContact OG1-NH1 3.42Å; T163-R448 PolarHBondContact OG1-NH2 2.78Å
164E94.6Very high97.5Very high80 Ų8046.1 Ų46.137%0.37424%0.238SC..  trans-107.2117.1177.3-69.3-178.8-175.200108.7S133 L148 P162S133-E164 PolarHBondContact OG-OE2 2.89Å; L148-E164 HydrophobicContact CD1-CB 3.81Å; L148-E164 HydrophobicContact CD1-CG 4.23Å; P162-E164 VanDerWaalsContact C-N 3.29Å; P162-E164 PolarHBondContact O-N 2.88Å
165L97.7Very high97.7Very high0 Ų042.5 Ų42.50%022%0.219CC..EExtended strand (participates in β ladder)trans-132.2131.3-175.8-68173.6000110.5S149 N152 Y161 P162 F188 V190 F377S149-L165 PolarHBondContact N-O 3.33Å; N152-L165 HydrophobicContact CB-CD1 3.56Å; N152-L165 HydrophobicContact CB-CG 4.45Å; Y161-L165 HydrophobicContact CD2-CD1 3.93Å; Y161-L165 HydrophobicContact CD2-CD2 4.18Å; Y161-L165 HydrophobicContact CG-CD2 4.39Å; P162-L165 HydrophobicContact CG-CD2 3.7Å; L165-F188 HydrophobicContact CD1-CE1 4.02Å; L165-F188 HydrophobicContact CD1-CE2 4.4Å; L165-F188 HydrophobicContact CD1-CZ 3.51Å; L165-V190 HydrophobicContact CD1-CG1 4.41Å; L165-V190 HydrophobicContact CD2-CB 4.43Å; L165-V190 HydrophobicContact CD2-CG1 4.18Å; L165-V190 HydrophobicContact CD2-CG2 4.18Å; L165-F377 HydrophobicContact CD2-CE1 3.82Å; L165-F377 HydrophobicContact CD2-CZ 4.26Å
166Y98.4Very high97.7Very high7 Ų741.3 Ų41.33%0.02721%0.214CC..EExtended strand (participates in β ladder)trans-96.5128.6176.4-75.1-100.5000110.7Y136 L141 P142 Q147 L148 L191Y136-Y166 HydrophobicContact CD1-CD1 4.44Å; Y136-Y166 AromaticContact CD1-CD2 3.45Å; Y136-Y166 HydrophobicContact CD1-CD2 3.45Å; Y136-Y166 VanDerWaalsContact CD1-CD2 3.45Å; Y136-Y166 AromaticContact CD1-CE2 3.68Å; Y136-Y166 HydrophobicContact CD1-CE2 3.68Å; Y136-Y166 AromaticContact CD1-CG 3.87Å; Y136-Y166 HydrophobicContact CD1-CG 3.87Å; Y136-Y166 AromaticContact CD2-CD2 3.72Å; Y136-Y166 HydrophobicContact CD2-CD2 3.72Å; Y136-Y166 AromaticContact CD2-CE2 3.33Å; Y136-Y166 HydrophobicContact CD2-CE2 3.33Å; Y136-Y166 AromaticContact CE1-CD2 3.56Å; Y136-Y166 HydrophobicContact CE1-CD2 3.56Å; Y136-Y166 HydrophobicContact CE1-CE2 4.16Å; Y136-Y166 HydrophobicContact CE1-CG 4.05Å; Y136-Y166 AromaticContact CE2-CD2 3.83Å; Y136-Y166 HydrophobicContact CE2-CD2 3.83Å; Y136-Y166 AromaticContact CE2-CE2 3.86Å; Y136-Y166 HydrophobicContact CE2-CE2 3.86Å; Y136-Y166 AromaticContact CG-CD2 3.54Å; Y136-Y166 HydrophobicContact CG-CD2 3.54Å; Y136-Y166 HydrophobicContact CG-CE1 4.49Å; Y136-Y166 AromaticContact CG-CE2 3.24Å; Y136-Y166 HydrophobicContact CG-CE2 3.24Å; Y136-Y166 HydrophobicContact CG-CG 4.3Å; Y136-Y166 AromaticContact CG-CZ 3.77Å; Y136-Y166 AromaticContact CZ-CD2 3.75Å; L141-Y166 HydrophobicContact CB-CD1 4.01Å; L141-Y166 HydrophobicContact CB-CE1 3.82Å; P142-Y166 HydrophobicContact CB-CE1 4.32Å; Q147-Y166 WeakPolarHBondContact O-CA 3.35Å; L148-Y166 HydrophobicContact CB-CD1 4.46Å; L148-Y166 HydrophobicContact CB-CE1 3.99Å; L148-Y166 HydrophobicContact CB-CE2 4.46Å; L148-Y166 HydrophobicContact CD1-CD2 4.19Å; L148-Y166 HydrophobicContact CD1-CE2 3.79Å; Y166-L191 WeakPolarHBondContact O-CB 3.36Å; Y166-L191 PolarHBondContact O-N 3.08Å
167V98.7Very high97.8Very high0 Ų035.2 Ų35.20%020%0.197CC..EExtended strand (participates in β ladder)trans-134.9161.1-174.2-61.70000110.3W146 Q147 I176 F188 M222W146-V167 WeakPolarHBondContact CA-O 3.48Å; Q147-V167 HydrophobicContact CG-CG2 4.07Å; Q147-V167 PolarHBondContact N-O 2.89Å; Q147-V167 PolarHBondContact O-N 2.88Å; V167-I176 HydrophobicContact CB-CD1 4.37Å; V167-I176 HydrophobicContact CG1-CD1 4.22Å; V167-I176 HydrophobicContact CG2-CD1 3.95Å; V167-F188 HydrophobicContact CG1-CE2 4.12Å; V167-M222 HydrophobicContact CB-CE 4.24Å; V167-M222 HydrophobicContact CG1-CE 4.13Å
168P98.6Very high97.9Very high1 Ų135 Ų351%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-57.4141.3173.6-24.735.5000111.3H145 W146 S170 A171 A225 I226 A229H145-P168 CarbonylContact O-C 3.48Å; H145-P168 WeakPolarHBondContact O-CA 3.4Å; W146-P168 HydrophobicContact CE3-CG 4.42Å; W146-P168 HydrophobicContact CH2-CG 3.88Å; W146-P168 VanDerWaalsContact CZ3-CD 3.49Å; W146-P168 HydrophobicContact CZ3-CG 3.84Å; P168-S170 PolarHBondContact O-N 2.82Å; P168-S170 VanDerWaalsContact O-N 3.16Å; P168-A171 HydrophobicContact CB-CB 4.3Å; P168-A171 WeakPolarHBondContact O-CB 3.49Å; P168-A171 PolarHBondContact O-N 3.32Å; P168-A225 HydrophobicContact CB-CB 3.86Å; P168-A225 HydrophobicContact CG-CB 4.05Å; P168-I226 HydrophobicContact CG-CB 4.41Å; P168-I226 HydrophobicContact CG-CG1 3.7Å; P168-A229 HydrophobicContact CB-CB 4.27Å
169K97.8Very high97.9Very high112 Ų11234.9 Ų34.949%0.48720%0.197SC..THydrogen-bonded Turntrans-62.1-25.3-178.7-168.2170.4-170.1167.90113.5H144 H145 Q147H144-K169 VanDerWaalsContact O-CD 3.31Å; H144-K169 WeakPolarHBondContact O-CD 3.48Å; H145-K169 PolarHBondContact O-N 3.38Å; Q147-K169 PolarHBondContact NE2-O 3.14Å
170S97.6Very high97.9Very high65 Ų6531.1 Ų31.146%0.45518%0.177SC..THydrogen-bonded Turntrans-82.1-10.9174.452.30000114.2P168 T172P168-S170 PolarHBondContact O-N 2.82Å; P168-S170 VanDerWaalsContact O-N 3.16Å; S170-T172 PolarHBondContact O-N 3.22Å
171A98Very high97.9Very high2 Ų237.5 Ų37.52%0.01720%0.203CC..  trans-80.4108.1176.400000110.1P168 I175 I176 M222 A225P168-A171 HydrophobicContact CB-CB 4.3Å; P168-A171 WeakPolarHBondContact O-CB 3.49Å; P168-A171 PolarHBondContact O-N 3.32Å; A171-I175 HydrophobicContact CB-CG2 4.47Å; A171-I176 HydrophobicContact CB-CD1 4.4Å; A171-I176 HydrophobicContact CB-CG1 4.2Å; A171-M222 HydrophobicContact CB-CE 4.27Å; A171-M222 HydrophobicContact CB-SD 3.61Å; A171-A225 HydrophobicContact CB-CB 4.29Å
172T97.6Very high97.9Very high78 Ų7838.5 Ų38.548%0.47921%0.207SC..  trans-76.8161.5176.768.10000111.3S170 H174 I175 I176S170-T172 PolarHBondContact O-N 3.22Å; T172-H174 PolarHBondContact O-N 3.04Å; T172-H174 VanDerWaalsContact O-N 3.16Å; T172-I175 WeakPolarHBondContact O-CB 3.4Å; T172-I175 PolarHBondContact O-N 2.76Å; T172-I175 PolarHBondContact OG1-N 3.02Å; T172-I176 WeakPolarHBondContact O-CG1 2.78Å; T172-I176 PolarHBondContact O-N 2.85Å
173A97.3Very high97.9Very high62 Ų6238.3 Ų38.351%0.51221%0.206SC..Hα-helixtrans-55.3-33.2174.900000112.8I176 V177A173-I176 PolarHBondContact O-N 2.95Å; A173-V177 WeakPolarHBondContact O-CB 3.36Å; A173-V177 VanDerWaalsContact O-CG2 3.27Å; A173-V177 WeakPolarHBondContact O-CG2 3.08Å; A173-V177 PolarHBondContact O-N 2.95Å
174H97.9Very high98Very high126 Ų12638 Ų3858%0.58320%0.204SC*.Hα-helixtrans-62.5-49.2174-177-83.9000112.1T172 I176 V177 G178 E218T172-H174 PolarHBondContact O-N 3.04Å; T172-H174 VanDerWaalsContact O-N 3.16Å; H174-I176 VanDerWaalsContact C-N 3.32Å; H174-I176 PolarHBondContact O-N 3.49Å; H174-V177 PolarHBondContact O-N 3.42Å; H174-G178 PolarHBondContact O-N 3.37Å; H174-E218 IonicContact CE1-OE1 3.47Å; H174-E218 PolarHBondContact CE1-OE1 3.08Å
175I98.6Very high98.1Very high20 Ų2038.7 Ų38.710%0.10320%0.204CC..Hα-helixtrans-57.6-46.9177.9-69.5172000110.1A171 T172 G178 S179 E218 Q221 M222A171-I175 HydrophobicContact CB-CG2 4.47Å; T172-I175 WeakPolarHBondContact O-CB 3.4Å; T172-I175 PolarHBondContact O-N 2.76Å; T172-I175 PolarHBondContact OG1-N 3.02Å; I175-G178 PolarHBondContact O-N 2.99Å; I175-S179 WeakPolarHBondContact O-CB 3.41Å; I175-S179 PolarHBondContact O-N 3.08Å; I175-E218 WeakPolarHBondContact CG2-O 3.45Å; I175-Q221 HydrophobicContact CD1-CB 4.29Å; I175-Q221 HydrophobicContact CG1-CB 4.41Å; I175-Q221 HydrophobicContact CG2-CB 4.33Å; I175-M222 HydrophobicContact CG2-CB 3.94Å; I175-M222 HydrophobicContact CG2-SD 3.99Å
176I98.4Very high98.2Very high1 Ų145 Ų451%0.00523%0.228CC..Hα-helixtrans-66.3-45.3-177.8-59.9160.9000111.5V151 V167 A171 T172 A173 H174 G178 S180 F188 M222V151-I176 HydrophobicContact CG1-CG2 3.76Å; V151-I176 HydrophobicContact CG2-CG2 4.49Å; V167-I176 HydrophobicContact CB-CD1 4.37Å; V167-I176 HydrophobicContact CG1-CD1 4.22Å; V167-I176 HydrophobicContact CG2-CD1 3.95Å; A171-I176 HydrophobicContact CB-CD1 4.4Å; A171-I176 HydrophobicContact CB-CG1 4.2Å; T172-I176 WeakPolarHBondContact O-CG1 2.78Å; T172-I176 PolarHBondContact O-N 2.85Å; A173-I176 PolarHBondContact O-N 2.95Å; H174-I176 VanDerWaalsContact C-N 3.32Å; H174-I176 PolarHBondContact O-N 3.49Å; I176-G178 VanDerWaalsContact C-N 3.35Å; I176-G178 PolarHBondContact O-N 2.76Å; I176-S180 WeakPolarHBondContact O-CB 3.25Å; I176-S180 PolarHBondContact O-N 2.74Å; I176-S180 PolarHBondContact O-OG 2.96Å; I176-F188 HydrophobicContact CG2-CD1 4.24Å; I176-F188 HydrophobicContact CG2-CD2 3.65Å; I176-F188 HydrophobicContact CG2-CE1 3.93Å; I176-F188 HydrophobicContact CG2-CE2 3.26Å; I176-F188 HydrophobicContact CG2-CG 4.12Å; I176-F188 HydrophobicContact CG2-CZ 3.42Å; I176-F188 VanDerWaalsContact CG2-CZ 3.42Å; I176-M222 HydrophobicContact CG1-CE 4.38Å; I176-M222 HydrophobicContact CG1-SD 4.37Å
177V98.4Very high98.2Very high50 Ų5044.7 Ų44.730%0.30323%0.226SC..Hα-helixtrans-67.2-35.9178172.20000111.3V151 V157 A173 H174 S180 K181V151-V177 HydrophobicContact CG2-CG2 3.83Å; V157-V177 HydrophobicContact CG2-CG2 4.13Å; A173-V177 WeakPolarHBondContact O-CB 3.36Å; A173-V177 VanDerWaalsContact O-CG2 3.27Å; A173-V177 WeakPolarHBondContact O-CG2 3.08Å; A173-V177 PolarHBondContact O-N 2.95Å; H174-V177 PolarHBondContact O-N 3.42Å; V177-S180 PolarHBondContact O-OG 3.48Å; V177-K181 WeakPolarHBondContact O-CG 3.43Å; V177-K181 PolarHBondContact O-N 2.88Å
178G98.5Very high98.2Very high11 Ų1144.7 Ų44.711%0.11323%0.226CC..Hα-helixtrans-64-56.1173.300000112.4H174 I175 I176 S180 K181 F182H174-G178 PolarHBondContact O-N 3.37Å; I175-G178 PolarHBondContact O-N 2.99Å; I176-G178 VanDerWaalsContact C-N 3.35Å; I176-G178 PolarHBondContact O-N 2.76Å; G178-S180 VanDerWaalsContact C-N 3.28Å; G178-S180 PolarHBondContact O-N 3.33Å; G178-K181 WeakPolarHBondContact O-CB 3.49Å; G178-K181 PolarHBondContact O-N 3.41Å; G178-F182 PolarHBondContact O-N 2.9Å
179S98.6Very high98.2Very high0 Ų044.7 Ų44.70%023%0.226CC..Hα-helixtrans-52.8-43.9175.8170.40000112I175 K181 F182 R183 P189 D219I175-S179 WeakPolarHBondContact O-CB 3.41Å; I175-S179 PolarHBondContact O-N 3.08Å; S179-K181 VanDerWaalsContact C-N 3.32Å; S179-K181 PolarHBondContact O-N 3.28Å; S179-F182 CarbonylContact O-C 3.49Å; S179-F182 WeakPolarHBondContact O-CA 3.39Å; S179-F182 PolarHBondContact O-N 2.98Å; S179-R183 WeakPolarHBondContact O-CG 3.1Å; S179-R183 PolarHBondContact O-N 3.01Å; S179-R183 VanDerWaalsContact O-N 3.11Å; S179-P189 VanDerWaalsContact OG-CD 3.32Å; S179-P189 WeakPolarHBondContact OG-CD 3.39Å; S179-D219 WeakPolarHBondContact CB-OD1 3.45Å; S179-D219 PolarHBondContact OG-OD1 2.87Å
180S98.6Very high98.2Very high3 Ų339.4 Ų39.42%0.02120%0.203CC..Hα-helixtrans-60.4-36.5178.273.30000113.6V157 I176 V177 G178 F182 R183 R186V157-S180 VanDerWaalsContact CG1-CB 3.45Å; V157-S180 WeakPolarHBondContact CG1-OG 3.27Å; I176-S180 WeakPolarHBondContact O-CB 3.25Å; I176-S180 PolarHBondContact O-N 2.74Å; I176-S180 PolarHBondContact O-OG 2.96Å; V177-S180 PolarHBondContact O-OG 3.48Å; G178-S180 VanDerWaalsContact C-N 3.28Å; G178-S180 PolarHBondContact O-N 3.33Å; S180-F182 PolarHBondContact O-N 2.92Å; S180-R183 PolarHBondContact O-N 3.15Å; S180-R186 VanDerWaalsContact O-CA 3.26Å; S180-R186 WeakPolarHBondContact O-CA 3.44Å; S180-R186 WeakPolarHBondContact O-CG 3.33Å
181K98.3Very high98.3Very high146 Ų14636.3 Ų36.364%0.63518%0.182SC*.Hα-helixtrans-67-26.3175.5-68.8167.4-177.5175.70112.7V177 G178 S179V177-K181 WeakPolarHBondContact O-CG 3.43Å; V177-K181 PolarHBondContact O-N 2.88Å; G178-K181 WeakPolarHBondContact O-CB 3.49Å; G178-K181 PolarHBondContact O-N 3.41Å; S179-K181 VanDerWaalsContact C-N 3.32Å; S179-K181 PolarHBondContact O-N 3.28Å
182F98.3Very high98.3Very high20 Ų2036.2 Ų36.29%0.08818%0.181CC..Hα-helixtrans-91.7-3178.3-168.5-112.1000113.7G178 S179 S180 P208 L209 A214 C216 D219 Y263G178-F182 PolarHBondContact O-N 2.9Å; S179-F182 CarbonylContact O-C 3.49Å; S179-F182 WeakPolarHBondContact O-CA 3.39Å; S179-F182 PolarHBondContact O-N 2.98Å; S180-F182 PolarHBondContact O-N 2.92Å; F182-P208 HydrophobicContact CD1-CB 3.93Å; F182-P208 HydrophobicContact CE1-CB 3.52Å; F182-P208 HydrophobicContact CZ-CB 4.29Å; F182-P208 CarbonylContact O-C 3.5Å; F182-P208 WeakPolarHBondContact O-CA 3.45Å; F182-L209 HydrophobicContact CD2-CB 4.28Å; F182-L209 HydrophobicContact CE2-CB 4.47Å; F182-L209 VanDerWaalsContact CE2-O 3.24Å; F182-L209 WeakPolarHBondContact CE2-O 3.43Å; F182-L209 WeakPolarHBondContact O-CB 3.5Å; F182-L209 WeakPolarHBondContact O-CG 3.44Å; F182-L209 PolarHBondContact O-N 2.68Å; F182-A214 HydrophobicContact CE2-CB 4.21Å; F182-C216 HydrophobicContact CB-CB 3.58Å; F182-C216 HydrophobicContact CD1-CB 3.55Å; F182-C216 HydrophobicContact CD2-CB 3.62Å; F182-C216 HydrophobicContact CE1-CB 4.04Å; F182-C216 HydrophobicContact CE2-CB 4.11Å; F182-C216 HydrophobicContact CG-CB 3.29Å; F182-C216 HydrophobicContact CZ-CB 4.29Å; F182-D219 HydrophobicContact CD1-CB 3.87Å; F182-Y263 WeakPolarHBondContact CE1-OH 3.5Å
183R98.3Very high98.3Very high2 Ų233 Ų331%0.00816%0.16CC..BIsolated β-bridgetrans-108.9135.2-178-70.1-83.7176.6179.1-6.4110S179 S180 R185 R186 S205 S206 D219 E258S179-R183 WeakPolarHBondContact O-CG 3.1Å; S179-R183 PolarHBondContact O-N 3.01Å; S179-R183 VanDerWaalsContact O-N 3.11Å; S180-R183 PolarHBondContact O-N 3.15Å; R183-R185 PolarHBondContact O-N 3.39Å; R183-R186 VanDerWaalsContact O-CA 3.31Å; R183-R186 WeakPolarHBondContact O-CA 3.48Å; R183-R186 PolarHBondContact O-N 3.02Å; R183-S205 PolarHBondContact NH1-OG 3.48Å; R183-S206 WeakPolarHBondContact CD-O 3.48Å; R183-S206 PolarHBondContact NH1-O 2.6Å; R183-D219 IonicContact CZ-OD1 2.88Å; R183-D219 IonicContact CZ-OD2 3.36Å; R183-D219 IonicContact NE-OD1 2.69Å; R183-D219 PolarHBondContact NE-OD1 3.46Å; R183-D219 IonicContact NE-OD2 3.53Å; R183-D219 PolarHBondContact NE-OD2 3.38Å; R183-D219 IonicContact NH2-OD1 3.16Å; R183-D219 IonicContact NH2-OD2 3.64Å; R183-D219 PolarHBondContact NH2-OD2 3.19Å; R183-E258 IonicContact CZ-OE1 2.92Å; R183-E258 IonicContact NH1-OE1 3.7Å; R183-E258 PolarHBondContact NH1-OE1 3.16Å; R183-E258 IonicContact NH2-OE1 2.77Å; R183-E258 PolarHBondContact NH2-OE1 3.29Å
184S97.7Very high98.4Very high11 Ų1130.6 Ų30.68%0.07714%0.138CC..G310 helixtrans-56.7136-177.4-146.30000112.3R186 R187 S206 Q207S184-R186 PolarHBondContact O-N 3.05Å; S184-R187 PolarHBondContact O-N 2.89Å; S184-S206 PolarHBondContact N-OG 3.38Å; S184-S206 VanDerWaalsContact O-CB 3.3Å; S184-S206 WeakPolarHBondContact O-CB 3.44Å; S184-S206 PolarHBondContact O-OG 3.03Å; S184-Q207 PolarHBondContact N-O 3.15Å
185R97.3Very high98.4Very high96 Ų9626 Ų2636%0.36212%0.115SC..G310 helixtrans51.822.3-173.1-55.8-73.3-177.5168.8-4.1113.8C158 R183 R187 W342 V627C158-R185 PolarHBondContact SG-O 3.23Å; C158-R185 VanDerWaalsContact SG-O 3.37Å; R183-R185 PolarHBondContact O-N 3.39Å; R185-R187 VanDerWaalsContact C-N 3.25Å; R185-R187 HydrophobicContact CB-CG 4.42Å; R185-R187 PolarHBondContact O-N 3.36Å; R185-W342 HydrophobicContact CB-CZ3 4.25Å; R185-W342 HydrophobicContact CG-CH2 3.97Å; R185-W342 HydrophobicContact CG-CZ3 3.94Å; R185-V627 PolarHBondContact NH2-O 2.72Å
186R98.3Very high98.2Very high133 Ų13330.1 Ų30.150%0.50213%0.133SC..G310 helixtrans60.322-177.5-56.3-176.9-177.8171.54.1116.2V157 C158 S180 R183 S184 F188V157-R186 VanDerWaalsContact O-CB 3.29Å; V157-R186 WeakPolarHBondContact O-CB 3.38Å; V157-R186 WeakPolarHBondContact O-CD 3.45Å; C158-R186 HydrophobicContact CB-CB 4.28Å; C158-R186 WeakPolarHBondContact CB-O 3.49Å; S180-R186 VanDerWaalsContact O-CA 3.26Å; S180-R186 WeakPolarHBondContact O-CA 3.44Å; S180-R186 WeakPolarHBondContact O-CG 3.33Å; R183-R186 VanDerWaalsContact O-CA 3.31Å; R183-R186 WeakPolarHBondContact O-CA 3.48Å; R183-R186 PolarHBondContact O-N 3.02Å; S184-R186 PolarHBondContact O-N 3.05Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 WeakPolarHBondContact O-CD1 3.34Å; R186-F188 PolarHBondContact O-N 2.91Å
187R98.6Very high97.9Very high0 Ų036.4 Ų36.40%017%0.166CC..  trans-82.874.3-178.6-66.7170.368.980.51.6110.6C158 S160 Y161 S184 R185 S205 S206 D340 G341 F377C158-R187 WeakPolarHBondContact SG-CG 3.3Å; S160-R187 VanDerWaalsContact CB-NH1 3.28Å; S160-R187 PolarHBondContact O-NH1 2.88Å; S160-R187 WeakPolarHBondContact OG-CD 3.31Å; S160-R187 PolarHBondContact OG-NH1 3.02Å; Y161-R187 HydrophobicContact CD1-CG 4.24Å; Y161-R187 HydrophobicContact CE1-CB 3.96Å; Y161-R187 HydrophobicContact CE1-CG 3.96Å; Y161-R187 VanDerWaalsContact CE1-CZ 3.48Å; Y161-R187 HydrophobicContact CE2-CB 4.28Å; S184-R187 PolarHBondContact O-N 2.89Å; R185-R187 VanDerWaalsContact C-N 3.25Å; R185-R187 HydrophobicContact CB-CG 4.42Å; R185-R187 PolarHBondContact O-N 3.36Å; R187-S205 WeakPolarHBondContact O-CA 3.48Å; R187-S205 WeakPolarHBondContact O-CB 3.32Å; R187-S206 PolarHBondContact O-N 2.88Å; R187-S206 PolarHBondContact O-OG 2.78Å; R187-D340 WeakPolarHBondContact CD-O 3.5Å; R187-D340 PolarHBondContact NE-O 3.04Å; R187-G341 PolarHBondContact NH2-O 2.95Å; R187-F377 PolarHBondContact NH1-O 3.31Å; R187-F377 VanDerWaalsContact NH1-O 3.16Å; R187-F377 PolarHBondContact NH2-O 3Å
188F98.6Very high97.8Very high0 Ų035.9 Ų35.90%016%0.162CC..  trans-65.5161.4-178.464.1-90000113.1V151 V157 Y161 L165 V167 I176 R186 V190 M222V151-F188 HydrophobicContact CG1-CZ 4.1Å; V157-F188 HydrophobicContact CB-CE1 4.45Å; V157-F188 HydrophobicContact CG1-CD1 3.87Å; V157-F188 HydrophobicContact CG1-CE1 3.62Å; Y161-F188 HydrophobicContact CD2-CD1 4.44Å; Y161-F188 HydrophobicContact CD2-CE1 4.21Å; Y161-F188 HydrophobicContact CE2-CD1 4.28Å; Y161-F188 HydrophobicContact CE2-CE1 4.42Å; Y161-F188 WeakPolarHBondContact CE2-O 3.22Å; Y161-F188 PolarHBondContact OH-O 3.07Å; L165-F188 HydrophobicContact CD1-CE1 4.02Å; L165-F188 HydrophobicContact CD1-CE2 4.4Å; L165-F188 HydrophobicContact CD1-CZ 3.51Å; V167-F188 HydrophobicContact CG1-CE2 4.12Å; I176-F188 HydrophobicContact CG2-CD1 4.24Å; I176-F188 HydrophobicContact CG2-CD2 3.65Å; I176-F188 HydrophobicContact CG2-CE1 3.93Å; I176-F188 HydrophobicContact CG2-CE2 3.26Å; I176-F188 HydrophobicContact CG2-CG 4.12Å; I176-F188 HydrophobicContact CG2-CZ 3.42Å; I176-F188 VanDerWaalsContact CG2-CZ 3.42Å; R186-F188 VanDerWaalsContact C-N 3.29Å; R186-F188 WeakPolarHBondContact O-CD1 3.34Å; R186-F188 PolarHBondContact O-N 2.91Å; F188-V190 HydrophobicContact CD2-CG1 3.58Å; F188-V190 HydrophobicContact CE2-CG1 3.31Å; F188-V190 HydrophobicContact CG-CG1 4.4Å; F188-V190 HydrophobicContact CZ-CG1 3.94Å; F188-V190 WeakPolarHBondContact O-CG1 3.5Å; F188-V190 PolarHBondContact O-N 3.36Å; F188-M222 HydrophobicContact CD2-CE 4.42Å
189P98.8Very high97.8Very high0 Ų038.7 Ų38.70%017%0.172CC..  trans-57.9120.1176.9-26.737.3000113.6S179 R204 M222 L223 I226 L335S179-P189 VanDerWaalsContact OG-CD 3.32Å; S179-P189 WeakPolarHBondContact OG-CD 3.39Å; P189-R204 WeakPolarHBondContact CA-O 3.34Å; P189-M222 HydrophobicContact CB-CG 4.18Å; P189-M222 HydrophobicContact CG-CG 4.22Å; P189-M222 WeakPolarHBondContact O-CE 3.44Å; P189-L223 HydrophobicContact CG-CD1 3.88Å; P189-I226 HydrophobicContact CB-CD1 3.65Å; P189-L335 HydrophobicContact CB-CD1 3.88Å; P189-L335 HydrophobicContact CB-CD2 4.44Å; P189-L335 HydrophobicContact CG-CD1 4.3Å; P189-L335 HydrophobicContact CG-CD2 4.14Å
190V98.7Very high97.7Very high1 Ų138.7 Ų38.71%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-135.8162174-46.40000111.8Y161 L165 F188 C203 R204 F377Y161-V190 HydrophobicContact CD2-CG1 4.32Å; Y161-V190 HydrophobicContact CE2-CG1 3.72Å; Y161-V190 HydrophobicContact CE2-CG2 4.27Å; L165-V190 HydrophobicContact CD1-CG1 4.41Å; L165-V190 HydrophobicContact CD2-CB 4.43Å; L165-V190 HydrophobicContact CD2-CG1 4.18Å; L165-V190 HydrophobicContact CD2-CG2 4.18Å; F188-V190 HydrophobicContact CD2-CG1 3.58Å; F188-V190 HydrophobicContact CE2-CG1 3.31Å; F188-V190 HydrophobicContact CG-CG1 4.4Å; F188-V190 HydrophobicContact CZ-CG1 3.94Å; F188-V190 WeakPolarHBondContact O-CG1 3.5Å; F188-V190 PolarHBondContact O-N 3.36Å; V190-C203 CarbonylContact O-C 3.53Å; V190-C203 WeakPolarHBondContact O-CA 3.37Å; V190-C203 WeakPolarHBondContact O-CB 3.36Å; V190-R204 HydrophobicContact CG2-CG 4.01Å; V190-R204 PolarHBondContact N-O 2.78Å; V190-R204 PolarHBondContact O-N 2.98Å; V190-F377 HydrophobicContact CG2-CE1 3.51Å; V190-F377 HydrophobicContact CG2-CZ 3.71Å
191L98.8Very high97.7Very high0 Ų038.6 Ų38.60%017%0.171CC..EExtended strand (participates in β ladder)trans-68.8126.6176.9-170.467.9000112.7L141 W146 Y166 Y193L141-L191 HydrophobicContact CD1-CD2 3.46Å; L141-L191 VanDerWaalsContact CD1-CD2 3.46Å; L141-L191 HydrophobicContact CD2-CD2 4.2Å; L141-L191 HydrophobicContact CG-CD2 4.49Å; W146-L191 HydrophobicContact CD2-CD1 4.28Å; W146-L191 HydrophobicContact CD2-CD2 4.14Å; W146-L191 HydrophobicContact CE3-CB 3.96Å; W146-L191 HydrophobicContact CE3-CD1 4.17Å; W146-L191 HydrophobicContact CE3-CD2 3.99Å; W146-L191 HydrophobicContact CE3-CG 4.28Å; W146-L191 HydrophobicContact CG-CD2 4.48Å; W146-L191 HydrophobicContact CH2-CB 4.44Å; W146-L191 HydrophobicContact CH2-CD1 3.97Å; W146-L191 HydrophobicContact CZ2-CD1 4.04Å; W146-L191 HydrophobicContact CZ3-CB 3.76Å; W146-L191 HydrophobicContact CZ3-CD1 4.01Å; W146-L191 HydrophobicContact CZ3-CG 4.32Å; Y166-L191 WeakPolarHBondContact O-CB 3.36Å; Y166-L191 PolarHBondContact O-N 3.08Å; L191-Y193 VanDerWaalsContact CD1-O 3.28Å; L191-Y193 WeakPolarHBondContact CD1-O 3.34Å
192S98.4Very high97.8Very high0 Ų031.6 Ų31.60%014%0.141CC..EExtended strand (participates in β ladder)trans-98.7-40.1167.8-143.50000111.4I202 R204 K372 D373S192-I202 WeakPolarHBondContact CA-O 3.48Å; S192-I202 WeakPolarHBondContact CB-O 3.42Å; S192-I202 PolarHBondContact N-O 3.28Å; S192-R204 WeakPolarHBondContact OG-CD 3.36Å; S192-R204 PolarHBondContact OG-NH1 2.77Å; S192-K372 PolarHBondContact O-NZ 3.06Å; S192-D373 PolarHBondContact OG-OD1 3.43Å; S192-D373 PolarHBondContact OG-OD2 2.88Å
193Y98.8Very high97.8Very high10 Ų1030.7 Ų30.74%0.03914%0.137CC..EExtended strand (participates in β ladder)trans-153.3144.2-178.7177.6-107.7000111.3M139 L191 Y195 S201 I202 L356 D357 Y360M139-Y193 HydrophobicContact CG-CE2 4.47Å; M139-Y193 HydrophobicContact SD-CD2 3.53Å; M139-Y193 VanDerWaalsContact SD-CD2 3.53Å; M139-Y193 HydrophobicContact SD-CE2 4.05Å; M139-Y193 HydrophobicContact SD-CG 4.38Å; L191-Y193 VanDerWaalsContact CD1-O 3.28Å; L191-Y193 WeakPolarHBondContact CD1-O 3.34Å; Y193-Y195 AromaticContact CE1-CD2 3.96Å; Y193-Y195 HydrophobicContact CE1-CD2 3.96Å; Y193-S201 WeakPolarHBondContact O-CA 3.28Å; Y193-I202 HydrophobicContact CD1-CD1 4.08Å; Y193-I202 HydrophobicContact CD1-CG1 4.36Å; Y193-I202 PolarHBondContact N-O 3Å; Y193-I202 PolarHBondContact O-N 3.42Å; Y193-L356 HydrophobicContact CD1-CD1 4.05Å; Y193-L356 HydrophobicContact CE1-CB 3.9Å; Y193-L356 HydrophobicContact CE1-CD1 3.83Å; Y193-D357 HydrophobicContact CE2-CB 4.01Å; Y193-D357 WeakPolarHBondContact CE2-OD2 3.42Å; Y193-D357 PolarHBondContact OH-OD2 2.87Å; Y193-Y360 AromaticContact CD2-CE2 3.81Å; Y193-Y360 HydrophobicContact CD2-CE2 3.81Å; Y193-Y360 AromaticContact CE2-CE2 3.87Å; Y193-Y360 HydrophobicContact CE2-CE2 3.87Å
194Y98.6Very high97.8Very high12 Ų1230.6 Ų30.65%0.04714%0.137CC..EExtended strand (participates in β ladder)trans-124.9120.4178.6174.9-100.8000110.1M139 L141 W146 K196 H199M139-Y194 WeakPolarHBondContact O-CD1 3.29Å; L141-Y194 HydrophobicContact CD2-CD1 4.22Å; L141-Y194 HydrophobicContact CD2-CG 4.17Å; L141-Y194 HydrophobicContact CG-CD1 4.48Å; W146-Y194 AromaticContact CD1-CD2 3.73Å; W146-Y194 AromaticContact CD1-CE2 3.64Å; W146-Y194 AromaticContact NE1-CD2 3.64Å; W146-Y194 AromaticContact NE1-CE2 3.68Å; Y194-K196 HydrophobicContact CD1-CG 4.29Å; Y194-K196 HydrophobicContact CE1-CG 4.25Å; Y194-K196 PolarHBondContact O-N 2.86Å; Y194-H199 HydrophobicContact CE2-CB 4.41Å; Y194-H199 PolarHBondContact OH-ND1 3.27Å
195Y97.7Very high97.9Very high29 Ų2930.1 Ų30.111%0.11413%0.133CC..  trans-89.3107.1-179.4-166.4-98.9000109.3Y193 D197 N198 H199 A200 V327 L356Y193-Y195 AromaticContact CE1-CD2 3.96Å; Y193-Y195 HydrophobicContact CE1-CD2 3.96Å; Y195-D197 VanDerWaalsContact C-N 3.32Å; Y195-D197 HydrophobicContact CD1-CB 4.28Å; Y195-D197 HydrophobicContact CE1-CB 3.77Å; Y195-D197 PolarHBondContact O-N 2.97Å; Y195-D197 PolarHBondContact OH-OD2 3.27Å; Y195-N198 WeakPolarHBondContact CD1-OD1 3.49Å; Y195-H199 PolarHBondContact O-N 3.39Å; Y195-H199 VanDerWaalsContact O-N 3.14Å; Y195-A200 PolarHBondContact N-O 3.28Å; Y195-V327 HydrophobicContact CD1-CG1 4.45Å; Y195-V327 HydrophobicContact CD2-CG1 4.27Å; Y195-V327 HydrophobicContact CG-CG1 3.86Å; Y195-L356 HydrophobicContact CD2-CB 4.32Å; Y195-L356 HydrophobicContact CD2-CD2 4.11Å; Y195-L356 HydrophobicContact CE2-CB 4.4Å; Y195-L356 HydrophobicContact CE2-CD2 4.01Å
196K93.7Very high97.9Very high107 Ų10725.5 Ų25.547%0.46512%0.116SC..THydrogen-bonded Turntrans-59.8-38.9-169.2-73.8-174.7175.4-178.20114R138 M139 Y194 N198R138-K196 WeakPolarHBondContact O-CE 3.35Å; R138-K196 PolarHBondContact O-NZ 3.19Å; M139-K196 WeakPolarHBondContact O-CE 3.13Å; Y194-K196 HydrophobicContact CD1-CG 4.29Å; Y194-K196 HydrophobicContact CE1-CG 4.25Å; Y194-K196 PolarHBondContact O-N 2.86Å; K196-N198 VanDerWaalsContact C-N 3.29Å; K196-N198 PolarHBondContact O-N 3.39Å
197D93.3Very high97.9Very high133 Ų13319.2 Ų19.271%0.7119%0.092SC*.THydrogen-bonded Turntrans-72.1-23.3-163.3-52.5-19.2000113.2Y195Y195-D197 VanDerWaalsContact C-N 3.32Å; Y195-D197 HydrophobicContact CD1-CB 4.28Å; Y195-D197 HydrophobicContact CE1-CB 3.77Å; Y195-D197 PolarHBondContact O-N 2.97Å; Y195-D197 PolarHBondContact OH-OD2 3.27Å
198N96.3Very high97.9Very high39 Ų3919.2 Ų19.221%0.2099%0.092CC..THydrogen-bonded Turntrans-134.66.5-178.870.217.3000114.5Y195 K196 A200 V327Y195-N198 WeakPolarHBondContact CD1-OD1 3.49Å; K196-N198 VanDerWaalsContact C-N 3.29Å; K196-N198 PolarHBondContact O-N 3.39Å; N198-A200 PolarHBondContact O-N 3.36Å; N198-A200 WeakPolarHBondContact OD1-CB 3.44Å; N198-A200 PolarHBondContact OD1-N 2.85Å; N198-V327 PolarHBondContact ND2-O 3.17Å
199H97.3Very high97.8Very high70 Ų7022 Ų2232%0.32411%0.107SC..  trans675.3-178.3-48.4-79.3000116.6Y194 Y195Y194-H199 HydrophobicContact CE2-CB 4.41Å; Y194-H199 PolarHBondContact OH-ND1 3.27Å; Y195-H199 PolarHBondContact O-N 3.39Å; Y195-H199 VanDerWaalsContact O-N 3.14Å
200A98.4Very high97.5Very high0 Ų022.6 Ų22.60%011%0.11CC..  trans-67.2151.5174.300000112.1Y195 N198 V327Y195-A200 PolarHBondContact N-O 3.28Å; N198-A200 PolarHBondContact O-N 3.36Å; N198-A200 WeakPolarHBondContact OD1-CB 3.44Å; N198-A200 PolarHBondContact OD1-N 2.85Å; A200-V327 HydrophobicContact CB-CG1 3.99Å
201S98.7Very high97.1Very high1 Ų123 Ų231%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-136.6137.2-173.862.80000112.3W146 Y193 S333 V334W146-S201 WeakPolarHBondContact CZ2-OG 3.42Å; Y193-S201 WeakPolarHBondContact O-CA 3.28Å; S201-S333 PolarHBondContact N-OG 2.65Å; S201-S333 VanDerWaalsContact N-OG 3.11Å; S201-S333 WeakPolarHBondContact O-CA 3.38Å; S201-S333 WeakPolarHBondContact OG-CB 3.48Å; S201-S333 PolarHBondContact OG-OG 2.93Å; S201-S333 VanDerWaalsContact OG-OG 3.04Å; S201-V334 PolarHBondContact O-N 3.41Å
202I98.9Very high96.5Very high0 Ų030 Ų300%015%0.145CC..EExtended strand (participates in β ladder)trans-90.7115.6162.5-53.7176.4000107.8S192 Y193 I323 V327 V336 C349 A352 L356S192-I202 WeakPolarHBondContact CA-O 3.48Å; S192-I202 WeakPolarHBondContact CB-O 3.42Å; S192-I202 PolarHBondContact N-O 3.28Å; Y193-I202 HydrophobicContact CD1-CD1 4.08Å; Y193-I202 HydrophobicContact CD1-CG1 4.36Å; Y193-I202 PolarHBondContact N-O 3Å; Y193-I202 PolarHBondContact O-N 3.42Å; I202-I323 HydrophobicContact CD1-CG2 3.73Å; I202-I323 HydrophobicContact CG1-CG2 3.92Å; I202-I323 HydrophobicContact CG2-CG2 4.46Å; I202-V327 HydrophobicContact CD1-CG2 4.45Å; I202-V327 HydrophobicContact CG1-CG2 3.82Å; I202-V336 HydrophobicContact CG2-CG2 3.93Å; I202-C349 HydrophobicContact CG2-CB 4.49Å; I202-A352 HydrophobicContact CD1-CB 3.73Å; I202-L356 HydrophobicContact CD1-CD1 3.78Å
203C98.9Very high96.1Very high0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans-104.1156.7171.7-63.80000110.7W146 V190 I226 V334 L335 V336W146-C203 VanDerWaalsContact CH2-SG 3.56Å; V190-C203 CarbonylContact O-C 3.53Å; V190-C203 WeakPolarHBondContact O-CA 3.37Å; V190-C203 WeakPolarHBondContact O-CB 3.36Å; C203-I226 HydrophobicContact CB-CD1 4.23Å; C203-V334 PolarHBondContact N-O 2.87Å; C203-L335 HydrophobicContact CB-CD1 3.74Å; C203-V336 PolarHBondContact O-N 3.27Å
204R98.8Very high95.8Very high1 Ų137 Ų370%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-131.3146.7177.566-168.3-65.6164.1-9.8112.1Y161 P189 V190 S192 V336 T345 D373Y161-R204 PolarHBondContact OH-O 2.89Å; P189-R204 WeakPolarHBondContact CA-O 3.34Å; V190-R204 HydrophobicContact CG2-CG 4.01Å; V190-R204 PolarHBondContact N-O 2.78Å; V190-R204 PolarHBondContact O-N 2.98Å; S192-R204 WeakPolarHBondContact OG-CD 3.36Å; S192-R204 PolarHBondContact OG-NH1 2.77Å; R204-V336 VanDerWaalsContact CA-O 3.32Å; R204-V336 WeakPolarHBondContact CA-O 2.99Å; R204-T345 HydrophobicContact CB-CG2 3.78Å; R204-D373 PolarHBondContact NH1-O 2.84Å; R204-D373 IonicContact NH1-OD2 3.19Å; R204-D373 PolarHBondContact NH1-OD2 3.46Å; R204-D373 PolarHBondContact NH2-O 2.93Å
205S98.8Very high95.6Very high0 Ų042.7 Ų42.70%022%0.22CC..  trans-154.4178.3173.861.70000111.7R183 R187 V336 H337 G341R183-S205 PolarHBondContact NH1-OG 3.48Å; R187-S205 WeakPolarHBondContact O-CA 3.48Å; R187-S205 WeakPolarHBondContact O-CB 3.32Å; S205-V336 PolarHBondContact N-O 3.38Å; S205-V336 VanDerWaalsContact N-O 3.12Å; S205-H337 WeakPolarHBondContact O-CA 3.5Å; S205-H337 WeakPolarHBondContact O-CB 3.48Å; S205-G341 VanDerWaalsContact O-CA 3.26Å; S205-G341 WeakPolarHBondContact O-CA 3.27Å
206S98.6Very high95.6Very high0 Ų041.9 Ų41.90%022%0.219CC..PPolyproline II helixtrans-84.5171.3154.961.70000111.8R183 S184 R187R183-S206 WeakPolarHBondContact CD-O 3.48Å; R183-S206 PolarHBondContact NH1-O 2.6Å; S184-S206 PolarHBondContact N-OG 3.38Å; S184-S206 VanDerWaalsContact O-CB 3.3Å; S184-S206 WeakPolarHBondContact O-CB 3.44Å; S184-S206 PolarHBondContact O-OG 3.03Å; R187-S206 PolarHBondContact O-N 2.88Å; R187-S206 PolarHBondContact O-OG 2.78Å
207Q97.9Very high95.8Very high0 Ų041.7 Ų41.70%022%0.222CC..PPolyproline II helixtrans-55.8152.8166.973.2-167.5-57.900113.4S184 N250 K255 G256 C338 S339S184-Q207 PolarHBondContact N-O 3.15Å; Q207-N250 PolarHBondContact NE2-OD1 3.22Å; Q207-K255 VanDerWaalsContact CD-CB 3.47Å; Q207-K255 HydrophobicContact CG-CB 4.07Å; Q207-K255 HydrophobicContact CG-CD 4.42Å; Q207-G256 WeakPolarHBondContact CB-O 3.09Å; Q207-G256 PolarHBondContact OE1-O 3.07Å; Q207-C338 WeakPolarHBondContact CB-O 3.49Å; Q207-C338 PolarHBondContact N-O 3.33Å; Q207-S339 VanDerWaalsContact CG-O 3.22Å; Q207-S339 WeakPolarHBondContact CG-O 3.4Å; Q207-S339 PolarHBondContact N-O 2.83Å; Q207-S339 VanDerWaalsContact N-O 3.15Å; Q207-S339 PolarHBondContact NE2-O 3.46Å; Q207-S339 VanDerWaalsContact NE2-O 3.09Å
208P97.6Very high96Very high0 Ų037.7 Ų37.70%020%0.199CC..BIsolated β-bridgetrans-72.8158.8167.631.7-34.8000112.3F182 S210 K255 G256 E258F182-P208 HydrophobicContact CD1-CB 3.93Å; F182-P208 HydrophobicContact CE1-CB 3.52Å; F182-P208 HydrophobicContact CZ-CB 4.29Å; F182-P208 CarbonylContact O-C 3.5Å; F182-P208 WeakPolarHBondContact O-CA 3.45Å; P208-S210 PolarHBondContact O-N 3.26Å; P208-K255 CarbonylContact O-C 3.45Å; P208-G256 PolarHBondContact O-N 2.9Å; P208-E258 WeakPolarHBondContact CD-OE2 3.4Å; P208-E258 HydrophobicContact CG-CG 4.44Å; P208-E258 WeakPolarHBondContact CG-OE2 3.05Å
209L96.4Very high96.1Very high60 Ų6035.8 Ų35.831%0.31419%0.189SC..  trans-92.648.4174.3-59.9179000110.8F182 G211 G254 K255F182-L209 HydrophobicContact CD2-CB 4.28Å; F182-L209 HydrophobicContact CE2-CB 4.47Å; F182-L209 VanDerWaalsContact CE2-O 3.24Å; F182-L209 WeakPolarHBondContact CE2-O 3.43Å; F182-L209 WeakPolarHBondContact O-CB 3.5Å; F182-L209 WeakPolarHBondContact O-CG 3.44Å; F182-L209 PolarHBondContact O-N 2.68Å; L209-G211 PolarHBondContact O-N 3.39Å; L209-G254 CarbonylContact C-O 3.37Å; L209-K255 HydrophobicContact CD2-CB 4.41Å; L209-K255 HydrophobicContact CD2-CG 4.09Å
210S92.2Very high96.2Very high11 Ų1133.7 Ų33.78%0.07718%0.179CC..  trans-71.1-26.2-172.957.70000114.3P208 F212 S213 A214 K255 Y257P208-S210 PolarHBondContact O-N 3.26Å; S210-F212 PolarHBondContact O-N 3.35Å; S210-S213 PolarHBondContact O-N 3.09Å; S210-A214 WeakPolarHBondContact O-CA 3.4Å; S210-A214 VanDerWaalsContact O-CB 3.28Å; S210-A214 WeakPolarHBondContact O-CB 3.42Å; S210-A214 PolarHBondContact O-N 3.49Å; S210-K255 PolarHBondContact OG-O 3.41Å; S210-K255 VanDerWaalsContact OG-O 3.1Å; S210-Y257 PolarHBondContact OG-N 3.41Å
211G91Very high96.2Very high9 Ų937.4 Ų37.49%0.09320%0.197CC..THydrogen-bonded Turntrans44.2-136.9-165.600000111.9L209 R251 G254 K255L209-G211 PolarHBondContact O-N 3.39Å; G211-R251 CarbonylContact C-O 3.58Å; G211-R251 WeakPolarHBondContact CA-O 3.22Å; G211-R251 WeakPolarHBondContact O-CG 3.24Å; G211-R251 PolarHBondContact O-NE 2.83Å; G211-G254 PolarHBondContact N-O 3.2Å; G211-K255 VanDerWaalsContact CA-O 3.25Å; G211-K255 WeakPolarHBondContact CA-O 3.5Å; G211-K255 PolarHBondContact N-O 3Å
212F86.3Confident96.2Very high147 Ų14737.3 Ų37.365%0.64520%0.196SC*.THydrogen-bonded Turntrans-73.3-40.7173.7-65.9-75.8000113.4S210 R251 A252S210-F212 PolarHBondContact O-N 3.35Å; F212-R251 PolarHBondContact O-NH2 2.95Å; F212-A252 HydrophobicContact CZ-CB 4.04Å
213S89.2Confident96.1Very high106 Ų10637.6 Ų37.674%0.74120%0.198SC*.THydrogen-bonded Turntrans-149.32.6-166.857.20000116.2S210S210-S213 PolarHBondContact O-N 3.09Å
214A92.9Very high96.1Very high51 Ų5139.5 Ų39.542%0.42121%0.207SC..  trans-68142.2178.500000111.3F182 S210F182-A214 HydrophobicContact CE2-CB 4.21Å; S210-A214 WeakPolarHBondContact O-CA 3.4Å; S210-A214 VanDerWaalsContact O-CB 3.28Å; S210-A214 WeakPolarHBondContact O-CB 3.42Å; S210-A214 PolarHBondContact O-N 3.49Å
215R94.9Very high96.1Very high132 Ų13239.7 Ų39.750%0.49821%0.209SC..  trans-130.9154.1-179.5-67.9-176.365.6163.3-8.4110E220 N262R215-E220 IonicContact CZ-OE1 3.3Å; R215-E220 VanDerWaalsContact CZ-OE1 3.3Å; R215-E220 IonicContact CZ-OE2 3.75Å; R215-E220 IonicContact NE-OE1 2.77Å; R215-E220 PolarHBondContact NE-OE1 3.46Å; R215-E220 IonicContact NE-OE2 3.91Å; R215-E220 IonicContact NH2-OE1 3.02Å; R215-E220 PolarHBondContact NH2-OE1 2.79Å; R215-E220 IonicContact NH2-OE2 2.76Å; R215-E220 PolarHBondContact NH2-OE2 2.88Å; R215-N262 VanDerWaalsContact CD-CG 3.48Å; R215-N262 WeakPolarHBondContact CD-OD1 3.26Å; R215-N262 WeakPolarHBondContact CG-ND2 3.4Å; R215-N262 PolarHBondContact NE-OD1 2.85Å; R215-N262 PolarHBondContact NH1-OD1 3.18Å
216C97.2Very high96.1Very high12 Ų1239.8 Ų39.88%0.08121%0.209CC..  trans-135.8113.8172.6173.70000108.7F182 E218 D219 E220F182-C216 HydrophobicContact CB-CB 3.58Å; F182-C216 HydrophobicContact CD1-CB 3.55Å; F182-C216 HydrophobicContact CD2-CB 3.62Å; F182-C216 HydrophobicContact CE1-CB 4.04Å; F182-C216 HydrophobicContact CE2-CB 4.11Å; F182-C216 HydrophobicContact CG-CB 3.29Å; F182-C216 HydrophobicContact CZ-CB 4.29Å; C216-E218 PolarHBondContact O-N 3.05Å; C216-E218 PolarHBondContact SG-OE2 3.41Å; C216-D219 HydrophobicContact CB-CB 3.91Å; C216-D219 PolarHBondContact O-N 3.34Å; C216-D219 VanDerWaalsContact O-N 3.16Å; C216-D219 PolarHBondContact SG-N 2.96Å; C216-D219 VanDerWaalsContact SG-N 3.39Å; C216-E220 WeakPolarHBondContact O-CG 2.97Å; C216-E220 PolarHBondContact O-N 3.24Å
217L97.8Very high96Very high103 Ų10341.8 Ų41.854%0.53922%0.217SC..Hα-helixtrans-62.1-35.3-178.8-179.761.8000111.3Q221L217-Q221 VanDerWaalsContact O-CB 3.3Å; L217-Q221 WeakPolarHBondContact O-CB 3.32Å; L217-Q221 WeakPolarHBondContact O-CG 3.32Å; L217-Q221 PolarHBondContact O-N 2.93Å
218E98.6Very high96Very high49 Ų4947.9 Ų47.923%0.22924%0.243CC..Hα-helixtrans-69-33.6177.5-61.777.5-168.900112.3H174 I175 C216 M222H174-E218 IonicContact CE1-OE1 3.47Å; H174-E218 PolarHBondContact CE1-OE1 3.08Å; I175-E218 WeakPolarHBondContact CG2-O 3.45Å; C216-E218 PolarHBondContact O-N 3.05Å; C216-E218 PolarHBondContact SG-OE2 3.41Å; E218-M222 WeakPolarHBondContact O-CB 3.04Å; E218-M222 PolarHBondContact O-N 3.38Å
219D98.5Very high96Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-74.7-40.5175.3-163.776.6000111.7S179 F182 R183 C216 Q221 M222 L223 Y263S179-D219 WeakPolarHBondContact CB-OD1 3.45Å; S179-D219 PolarHBondContact OG-OD1 2.87Å; F182-D219 HydrophobicContact CD1-CB 3.87Å; R183-D219 IonicContact CZ-OD1 2.88Å; R183-D219 IonicContact CZ-OD2 3.36Å; R183-D219 IonicContact NE-OD1 2.69Å; R183-D219 PolarHBondContact NE-OD1 3.46Å; R183-D219 IonicContact NE-OD2 3.53Å; R183-D219 PolarHBondContact NE-OD2 3.38Å; R183-D219 IonicContact NH2-OD1 3.16Å; R183-D219 IonicContact NH2-OD2 3.64Å; R183-D219 PolarHBondContact NH2-OD2 3.19Å; C216-D219 HydrophobicContact CB-CB 3.91Å; C216-D219 PolarHBondContact O-N 3.34Å; C216-D219 VanDerWaalsContact O-N 3.16Å; C216-D219 PolarHBondContact SG-N 2.96Å; C216-D219 VanDerWaalsContact SG-N 3.39Å; D219-Q221 VanDerWaalsContact C-N 3.32Å; D219-Q221 PolarHBondContact O-N 3.46Å; D219-M222 WeakPolarHBondContact O-CB 3.34Å; D219-M222 PolarHBondContact O-N 3.04Å; D219-M222 VanDerWaalsContact O-N 3.13Å; D219-L223 WeakPolarHBondContact O-CD1 3.45Å; D219-L223 PolarHBondContact O-N 3.37Å; D219-Y263 WeakPolarHBondContact OD2-CE1 3.14Å; D219-Y263 PolarHBondContact OD2-OH 3.14Å
220E98.3Very high96.1Very high25 Ų2545.2 Ų45.212%0.11723%0.229CC..Hα-helixtrans-58.7-43.7170-69.2169.6-157.800111.1R215 C216 M222 L223 Q224 Y263R215-E220 IonicContact CZ-OE1 3.3Å; R215-E220 VanDerWaalsContact CZ-OE1 3.3Å; R215-E220 IonicContact CZ-OE2 3.75Å; R215-E220 IonicContact NE-OE1 2.77Å; R215-E220 PolarHBondContact NE-OE1 3.46Å; R215-E220 IonicContact NE-OE2 3.91Å; R215-E220 IonicContact NH2-OE1 3.02Å; R215-E220 PolarHBondContact NH2-OE1 2.79Å; R215-E220 IonicContact NH2-OE2 2.76Å; R215-E220 PolarHBondContact NH2-OE2 2.88Å; C216-E220 WeakPolarHBondContact O-CG 2.97Å; C216-E220 PolarHBondContact O-N 3.24Å; E220-M222 VanDerWaalsContact C-N 3.35Å; E220-M222 PolarHBondContact O-N 3.41Å; E220-L223 PolarHBondContact O-N 3.1Å; E220-Q224 WeakPolarHBondContact O-CB 3.27Å; E220-Q224 WeakPolarHBondContact O-CG 3.27Å; E220-Q224 PolarHBondContact O-N 3.17Å; E220-Y263 HydrophobicContact CB-CD1 4.41Å; E220-Y263 HydrophobicContact CB-CE1 4.37Å; E220-Y263 HydrophobicContact CG-CD1 3.88Å; E220-Y263 HydrophobicContact CG-CE1 3.75Å; E220-Y263 HydrophobicContact CG-CE2 4.49Å; E220-Y263 HydrophobicContact CG-CG 4.34Å
221Q98.4Very high96.2Very high78 Ų7848.7 Ų48.736%0.36425%0.252SS..Hα-helixtrans-64.3-34.9173.1-76.2172.96.200112.9I175 L217 D219 Q224 A225I175-Q221 HydrophobicContact CD1-CB 4.29Å; I175-Q221 HydrophobicContact CG1-CB 4.41Å; I175-Q221 HydrophobicContact CG2-CB 4.33Å; L217-Q221 VanDerWaalsContact O-CB 3.3Å; L217-Q221 WeakPolarHBondContact O-CB 3.32Å; L217-Q221 WeakPolarHBondContact O-CG 3.32Å; L217-Q221 PolarHBondContact O-N 2.93Å; D219-Q221 VanDerWaalsContact C-N 3.32Å; D219-Q221 PolarHBondContact O-N 3.46Å; Q221-Q224 PolarHBondContact O-N 2.79Å; Q221-A225 WeakPolarHBondContact O-CB 3.47Å; Q221-A225 PolarHBondContact O-N 3.3Å
222M98.6Very high96.4Very high0 Ų051.2 Ų51.20%028%0.278CS..Hα-helixtrans-66.6-44.7177.7-17160.7178.500111.5V167 A171 I175 I176 F188 P189 E218 D219 E220 A225 I226V167-M222 HydrophobicContact CB-CE 4.24Å; V167-M222 HydrophobicContact CG1-CE 4.13Å; A171-M222 HydrophobicContact CB-CE 4.27Å; A171-M222 HydrophobicContact CB-SD 3.61Å; I175-M222 HydrophobicContact CG2-CB 3.94Å; I175-M222 HydrophobicContact CG2-SD 3.99Å; I176-M222 HydrophobicContact CG1-CE 4.38Å; I176-M222 HydrophobicContact CG1-SD 4.37Å; F188-M222 HydrophobicContact CD2-CE 4.42Å; P189-M222 HydrophobicContact CB-CG 4.18Å; P189-M222 HydrophobicContact CG-CG 4.22Å; P189-M222 WeakPolarHBondContact O-CE 3.44Å; E218-M222 WeakPolarHBondContact O-CB 3.04Å; E218-M222 PolarHBondContact O-N 3.38Å; D219-M222 WeakPolarHBondContact O-CB 3.34Å; D219-M222 PolarHBondContact O-N 3.04Å; D219-M222 VanDerWaalsContact O-N 3.13Å; E220-M222 VanDerWaalsContact C-N 3.35Å; E220-M222 PolarHBondContact O-N 3.41Å; M222-A225 WeakPolarHBondContact O-CB 3.42Å; M222-A225 PolarHBondContact O-N 3.44Å; M222-I226 WeakPolarHBondContact O-CG1 3.43Å; M222-I226 PolarHBondContact O-N 3.26Å
223L98.3Very high96.9Very high5 Ų544.7 Ų44.73%0.02625%0.25CS..Hα-helixtrans-66.1-39.1175-8968.7000111.5P189 D219 E220 A225 I226 R227 V238 E258 Y263 I266 L335P189-L223 HydrophobicContact CG-CD1 3.88Å; D219-L223 WeakPolarHBondContact O-CD1 3.45Å; D219-L223 PolarHBondContact O-N 3.37Å; E220-L223 PolarHBondContact O-N 3.1Å; L223-A225 VanDerWaalsContact C-N 3.29Å; L223-A225 PolarHBondContact O-N 2.94Å; L223-I226 PolarHBondContact O-N 2.85Å; L223-R227 PolarHBondContact O-N 2.89Å; L223-V238 HydrophobicContact CD2-CG2 4.06Å; L223-E258 HydrophobicContact CD2-CG 4.17Å; L223-Y263 HydrophobicContact CB-CD1 4.4Å; L223-Y263 HydrophobicContact CD1-CE1 4.45Å; L223-Y263 HydrophobicContact CD2-CD1 3.71Å; L223-Y263 HydrophobicContact CD2-CE1 3.99Å; L223-I266 HydrophobicContact CD2-CG2 4.25Å; L223-L335 HydrophobicContact CD1-CD2 3.85Å; L223-L335 HydrophobicContact CD2-CD2 3.96Å; L223-L335 HydrophobicContact CG-CD2 3.95Å
224Q97.9Very high97.2Very high41 Ų4145.5 Ų45.519%0.19225%0.246CC..Hα-helixtrans-64.2-30.8172.2-79.8-71.9-17.700113.2E220 Q221 K228 S264 N265E220-Q224 WeakPolarHBondContact O-CB 3.27Å; E220-Q224 WeakPolarHBondContact O-CG 3.27Å; E220-Q224 PolarHBondContact O-N 3.17Å; Q221-Q224 PolarHBondContact O-N 2.79Å; Q224-K228 WeakPolarHBondContact O-CB 3.28Å; Q224-K228 VanDerWaalsContact O-CG 3.23Å; Q224-K228 WeakPolarHBondContact O-CG 3.43Å; Q224-K228 PolarHBondContact O-N 2.79Å; Q224-S264 PolarHBondContact NE2-O 3.17Å; Q224-S264 PolarHBondContact NE2-OG 3.03Å; Q224-N265 PolarHBondContact NE2-OD1 2.76Å
225A98.4Very high97.4Very high5 Ų545.3 Ų45.34%0.04124%0.236CC..Hα-helixtrans-69.4-40.1172.700000111.7P168 A171 Q221 M222 L223 K228 A229P168-A225 HydrophobicContact CB-CB 3.86Å; P168-A225 HydrophobicContact CG-CB 4.05Å; A171-A225 HydrophobicContact CB-CB 4.29Å; Q221-A225 WeakPolarHBondContact O-CB 3.47Å; Q221-A225 PolarHBondContact O-N 3.3Å; M222-A225 WeakPolarHBondContact O-CB 3.42Å; M222-A225 PolarHBondContact O-N 3.44Å; L223-A225 VanDerWaalsContact C-N 3.29Å; L223-A225 PolarHBondContact O-N 2.94Å; A225-K228 PolarHBondContact O-N 2.88Å; A225-A229 PolarHBondContact O-N 2.04Å
226I98.6Very high97.6Very high1 Ų139.1 Ų39.11%0.00521%0.213CC..Hα-helixtrans-62.4-47172.8-65.3167.4000110.5W146 P168 P189 C203 M222 L223 K228 A229 V236W146-I226 HydrophobicContact CH2-CG1 4.24Å; W146-I226 HydrophobicContact CH2-CG2 4.47Å; P168-I226 HydrophobicContact CG-CB 4.41Å; P168-I226 HydrophobicContact CG-CG1 3.7Å; P189-I226 HydrophobicContact CB-CD1 3.65Å; C203-I226 HydrophobicContact CB-CD1 4.23Å; M222-I226 WeakPolarHBondContact O-CG1 3.43Å; M222-I226 PolarHBondContact O-N 3.26Å; L223-I226 PolarHBondContact O-N 2.85Å; I226-K228 VanDerWaalsContact C-N 3.32Å; I226-K228 PolarHBondContact O-N 2.82Å; I226-A229 WeakPolarHBondContact O-CB 3.44Å; I226-A229 PolarHBondContact O-N 2.84Å; I226-V236 HydrophobicContact CG2-CG2 4.24Å
227R97.8Very high97.7Very high43 Ų4339.6 Ų39.616%0.16221%0.213CC..Hα-helixtrans-59.5-41.6175.7-169.6-118.465.887.7-14.5111.8L223 A229 N230 S233 N265L223-R227 PolarHBondContact O-N 2.89Å; R227-A229 VanDerWaalsContact C-N 3.28Å; R227-A229 PolarHBondContact O-N 3.28Å; R227-N230 PolarHBondContact O-N 2.95Å; R227-N230 VanDerWaalsContact O-O 3.04Å; R227-S233 PolarHBondContact NH1-O 3.32Å; R227-N265 HydrophobicContact CG-CB 4.44Å
228K97.5Very high97.7Very high128 Ų12834.7 Ų34.756%0.55719%0.187SC*.Hα-helixtrans-70.9-17.5175.7-73.1169.9-177177.30114.2Q224 A225 I226 N230Q224-K228 WeakPolarHBondContact O-CB 3.28Å; Q224-K228 VanDerWaalsContact O-CG 3.23Å; Q224-K228 WeakPolarHBondContact O-CG 3.43Å; Q224-K228 PolarHBondContact O-N 2.79Å; A225-K228 PolarHBondContact O-N 2.88Å; I226-K228 VanDerWaalsContact C-N 3.32Å; I226-K228 PolarHBondContact O-N 2.82Å; K228-N230 VanDerWaalsContact C-N 3.26Å
229A98Very high97.7Very high3 Ų332.3 Ų32.33%0.02518%0.176CC..Hα-helixtrans-76.8-13.6174.200000112.9H145 W146 P168 A225 I226 R227H145-A229 HydrophobicContact CB-CB 4.15Å; H145-A229 WeakPolarHBondContact CB-O 3.24Å; H145-A229 VanDerWaalsContact CG-O 3.32Å; H145-A229 PolarHBondContact ND1-O 2.87Å; W146-A229 HydrophobicContact CZ2-CB 3.8Å; P168-A229 HydrophobicContact CB-CB 4.27Å; A225-A229 PolarHBondContact O-N 2.04Å; I226-A229 WeakPolarHBondContact O-CB 3.44Å; I226-A229 PolarHBondContact O-N 2.84Å; R227-A229 VanDerWaalsContact C-N 3.28Å; R227-A229 PolarHBondContact O-N 3.28Å
230N97.9Very high97.7Very high1 Ų132.3 Ų32.31%0.00518%0.176CC..  trans-113.5101.3172.1178.7-7000109.8R227 K228 G232 S233 G331 S333R227-N230 PolarHBondContact O-N 2.95Å; R227-N230 VanDerWaalsContact O-O 3.04Å; K228-N230 VanDerWaalsContact C-N 3.26Å; N230-G232 PolarHBondContact O-N 3.02Å; N230-G232 WeakPolarHBondContact OD1-CA 3.21Å; N230-G232 PolarHBondContact OD1-N 3.48Å; N230-S233 PolarHBondContact OD1-N 3.11Å; N230-G331 PolarHBondContact ND2-O 3.17Å; N230-S333 WeakPolarHBondContact CB-OG 3.44Å; N230-S333 PolarHBondContact ND2-N 3.49Å; N230-S333 PolarHBondContact ND2-OG 3.06Å
231P95.1Very high97.7Very high84 Ų8431.1 Ų31.155%0.54517%0.171SC..THydrogen-bonded Turntrans-72.7-11177.930.7-35.4000113.8
232G94.6Very high97.6Very high62 Ų6227.5 Ų27.564%0.63915%0.154SC*.THydrogen-bonded Turntrans-85.4-10.5-178.400000115.3N230N230-G232 PolarHBondContact O-N 3.02Å; N230-G232 WeakPolarHBondContact OD1-CA 3.21Å; N230-G232 PolarHBondContact OD1-N 3.48Å
233S96.8Very high97.5Very high9 Ų928.4 Ų28.46%0.06316%0.16CC..  trans-139.9134.5179.9-178.40000113.7R227 N230 F235R227-S233 PolarHBondContact NH1-O 3.32Å; N230-S233 PolarHBondContact OD1-N 3.11Å; S233-F235 PolarHBondContact O-N 3.07Å; S233-F235 WeakPolarHBondContact OG-CD1 3.42Å; S233-F235 WeakPolarHBondContact OG-CE1 3.29Å; S233-F235 PolarHBondContact OG-N 2.78Å; S233-F235 PolarHBondContact OG-O 3.39Å; S233-F235 VanDerWaalsContact OG-O 3.11Å
234D95.5Very high97.3Very high124 Ų12434 Ų3466%0.66318%0.184SC*.SBendtrans-79.1-0.2177.2-71.7-40.8000114.2N265D234-N265 WeakPolarHBondContact O-CB 3.18Å; D234-N265 PolarHBondContact O-ND2 2.88Å
235F97.4Very high97.1Very high46 Ų4638 Ų3820%0.20221%0.206CC..  trans-141.5163.2-18068.6-87.9000112.9S233 Y237 N265 K267 A332S233-F235 PolarHBondContact O-N 3.07Å; S233-F235 WeakPolarHBondContact OG-CD1 3.42Å; S233-F235 WeakPolarHBondContact OG-CE1 3.29Å; S233-F235 PolarHBondContact OG-N 2.78Å; S233-F235 PolarHBondContact OG-O 3.39Å; S233-F235 VanDerWaalsContact OG-O 3.11Å; F235-Y237 AromaticContact CE2-CD2 3.86Å; F235-Y237 HydrophobicContact CE2-CD2 3.86Å; F235-Y237 HydrophobicContact CE2-CE1 4.36Å; F235-Y237 AromaticContact CE2-CE2 3.5Å; F235-Y237 HydrophobicContact CE2-CE2 3.5Å; F235-Y237 HydrophobicContact CE2-CG 4.44Å; F235-Y237 AromaticContact CE2-CZ 3.74Å; F235-Y237 HydrophobicContact CZ-CE2 4.16Å; F235-N265 CarbonylContact C-O 3.36Å; F235-N265 WeakPolarHBondContact CA-O 3.41Å; F235-N265 WeakPolarHBondContact CB-O 3.33Å; F235-K267 HydrophobicContact CD2-CB 4.47Å; F235-K267 HydrophobicContact CD2-CD 3.58Å; F235-K267 HydrophobicContact CD2-CG 3.84Å; F235-K267 HydrophobicContact CE2-CD 3.59Å; F235-K267 HydrophobicContact CE2-CG 4.35Å; F235-K267 VanDerWaalsContact CE2-NZ 3.35Å; F235-K267 HydrophobicContact CG-CD 4.22Å; F235-K267 HydrophobicContact CG-CG 4.33Å; F235-K267 HydrophobicContact CZ-CD 4.22Å; F235-A332 HydrophobicContact CD2-CB 4.49Å; F235-A332 HydrophobicContact CE2-CB 3.66Å; F235-A332 HydrophobicContact CZ-CB 3.84Å
236V98.2Very high96.8Very high2 Ų239 Ų391%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-121.2134.7172.2640000109.3I226 N265 I266 K267 S333I226-V236 HydrophobicContact CG2-CG2 4.24Å; V236-N265 PolarHBondContact N-O 3.23Å; V236-I266 HydrophobicContact CG1-CB 4.4Å; V236-I266 HydrophobicContact CG1-CG2 3.82Å; V236-I266 CarbonylContact O-C 3.53Å; V236-I266 VanDerWaalsContact O-CA 3.25Å; V236-I266 WeakPolarHBondContact O-CA 3.41Å; V236-K267 PolarHBondContact O-N 3.35Å; V236-S333 WeakPolarHBondContact CA-O 3.48Å; V236-S333 VanDerWaalsContact CG2-O 3.32Å; V236-S333 WeakPolarHBondContact CG2-O 3.37Å
237Y98.6Very high96.5Very high22 Ų2238.9 Ų38.99%0.08621%0.21CC..EExtended strand (participates in β ladder)trans-75.3136.4169.7-79.9-70.4000109.8F235 K267 F322 A326 E330 A332 S333 V334 L335F235-Y237 AromaticContact CE2-CD2 3.86Å; F235-Y237 HydrophobicContact CE2-CD2 3.86Å; F235-Y237 HydrophobicContact CE2-CE1 4.36Å; F235-Y237 AromaticContact CE2-CE2 3.5Å; F235-Y237 HydrophobicContact CE2-CE2 3.5Å; F235-Y237 HydrophobicContact CE2-CG 4.44Å; F235-Y237 AromaticContact CE2-CZ 3.74Å; F235-Y237 HydrophobicContact CZ-CE2 4.16Å; Y237-K267 WeakPolarHBondContact CA-O 3.48Å; Y237-K267 HydrophobicContact CD1-CB 3.61Å; Y237-K267 HydrophobicContact CD1-CD 4.18Å; Y237-K267 HydrophobicContact CE1-CB 3.67Å; Y237-K267 HydrophobicContact CE1-CD 3.46Å; Y237-K267 VanDerWaalsContact CE1-CD 3.46Å; Y237-K267 HydrophobicContact CE1-CG 4.25Å; Y237-K267 PolarHBondContact OH-NZ 3.27Å; Y237-F322 HydrophobicContact CD1-CZ 4.11Å; Y237-F322 HydrophobicContact CE1-CZ 4.11Å; Y237-A326 HydrophobicContact CD2-CB 3.68Å; Y237-A326 HydrophobicContact CE2-CB 3.83Å; Y237-E330 WeakPolarHBondContact CE2-OE2 3.25Å; Y237-E330 PolarHBondContact OH-OE1 3.37Å; Y237-E330 PolarHBondContact OH-OE2 3.1Å; Y237-A332 HydrophobicContact CD2-CB 3.88Å; Y237-A332 HydrophobicContact CE2-CB 3.97Å; Y237-S333 PolarHBondContact N-O 3Å; Y237-V334 CarbonylContact O-C 3.51Å; Y237-V334 WeakPolarHBondContact O-CA 3.4Å; Y237-L335 PolarHBondContact O-N 3.08Å
238V98.6Very high96.2Very high0 Ų040.8 Ų40.80%022%0.222CC..EExtended strand (participates in β ladder)trans-110.8113.9167.6179.60000107.5L223 E258 I266 K267 F268 Q269 H337L223-V238 HydrophobicContact CD2-CG2 4.06Å; V238-E258 HydrophobicContact CG1-CB 4.45Å; V238-E258 HydrophobicContact CG1-CG 4.31Å; V238-I266 HydrophobicContact CB-CD1 4.44Å; V238-I266 HydrophobicContact CG2-CB 3.97Å; V238-I266 HydrophobicContact CG2-CD1 4.02Å; V238-I266 HydrophobicContact CG2-CG2 4.01Å; V238-K267 PolarHBondContact N-O 3.28Å; V238-F268 HydrophobicContact CB-CD2 3.87Å; V238-F268 HydrophobicContact CB-CE2 4.18Å; V238-F268 HydrophobicContact CG1-CD2 3.73Å; V238-F268 HydrophobicContact CG1-CE2 3.5Å; V238-F268 VanDerWaalsContact CG1-CE2 3.5Å; V238-F268 HydrophobicContact CG1-CZ 4.37Å; V238-Q269 PolarHBondContact O-N 3.41Å; V238-H337 WeakPolarHBondContact CG1-NE2 3.26Å
239V98.6Very high95.9Very high0 Ų036.9 Ų36.90%021%0.213CC..EExtended strand (participates in β ladder)trans-109.1102.9-174.9179.80000109.2Q269 I271 F322 I323 V334 L335 H337V239-Q269 WeakPolarHBondContact CA-O 3.37Å; V239-I271 HydrophobicContact CG1-CD1 4.26Å; V239-I271 HydrophobicContact CG1-CG1 3.63Å; V239-F322 HydrophobicContact CG2-CD1 4.18Å; V239-F322 HydrophobicContact CG2-CE1 3.74Å; V239-I323 HydrophobicContact CG1-CD1 4.4Å; V239-I323 HydrophobicContact CG2-CG1 4.39Å; V239-V334 HydrophobicContact CB-CG1 4.28Å; V239-V334 HydrophobicContact CG2-CG1 3.57Å; V239-L335 PolarHBondContact N-O 3.05Å; V239-H337 PolarHBondContact O-N 2.8Å
240D98.3Very high95.4Very high0 Ų037.6 Ų37.60%022%0.217CC..EExtended strand (participates in β ladder)trans-88.1109.3166.9-169.9-15.7000109.2R242 F268 Q269 F270 I271 H337D240-R242 PolarHBondContact O-N 2.85Å; D240-R242 VanDerWaalsContact O-N 3.14Å; D240-R242 VanDerWaalsContact OD1-CB 3.28Å; D240-R242 WeakPolarHBondContact OD1-CB 3.04Å; D240-R242 VanDerWaalsContact OD1-CG 3.24Å; D240-R242 WeakPolarHBondContact OD1-CG 2.97Å; D240-R242 IonicContact OD1-CZ 3.43Å; D240-R242 PolarHBondContact OD1-N 2.99Å; D240-R242 IonicContact OD1-NE 2.73Å; D240-R242 PolarHBondContact OD1-NE 3.28Å; D240-R242 IonicContact OD1-NH2 2.73Å; D240-R242 IonicContact OD2-CZ 3.9Å; D240-R242 VanDerWaalsContact OD2-CZ 3.25Å; D240-R242 IonicContact OD2-NE 3.41Å; D240-R242 PolarHBondContact OD2-NE 3.41Å; D240-R242 IonicContact OD2-NH2 3.97Å; D240-R242 PolarHBondContact OD2-NH2 3.1Å; D240-F268 HydrophobicContact CB-CE1 3.86Å; D240-F268 HydrophobicContact CB-CZ 3.57Å; D240-Q269 PolarHBondContact N-O 3.21Å; D240-F270 HydrophobicContact CB-CD1 3.9Å; D240-F270 HydrophobicContact CB-CE1 3.92Å; D240-F270 WeakPolarHBondContact O-CA 3.36Å; D240-I271 PolarHBondContact O-N 3.25Å; D240-I271 VanDerWaalsContact O-N 3.14Å; D240-H337 IonicContact OD2-CE1 3.89Å
241T97.6Very high95.1Very high0 Ų040.5 Ų40.50%023%0.227CC..  trans-63.8-13.9179.853.80000113.8G272 I273 V336 H337 C338 R344 V348T241-G272 PolarHBondContact O-N 3.31Å; T241-I273 HydrophobicContact CG2-CD1 4.48Å; T241-I273 WeakPolarHBondContact O-CA 3.32Å; T241-I273 WeakPolarHBondContact O-CB 3.4Å; T241-I273 PolarHBondContact O-N 2.97Å; T241-V336 HydrophobicContact CG2-CG1 4.02Å; T241-H337 PolarHBondContact N-O 3.1Å; T241-H337 PolarHBondContact OG1-O 3.13Å; T241-C338 WeakPolarHBondContact OG1-CB 3.46Å; T241-R344 HydrophobicContact CG2-CB 4.42Å; T241-R344 WeakPolarHBondContact OG1-CB 3.38Å; T241-V348 HydrophobicContact CG2-CB 4.26Å; T241-V348 HydrophobicContact CG2-CG1 4.35Å; T241-V348 HydrophobicContact CG2-CG2 4.02Å
242R97.2Very high94.8Very high1 Ų139.4 Ų39.40%0.00423%0.226CC..SBendtrans-72.6161.9-178.4-63.7177.8-67.2-173.70.7113.4D240 A247 N250 G256 G272 C338 S339D240-R242 PolarHBondContact O-N 2.85Å; D240-R242 VanDerWaalsContact O-N 3.14Å; D240-R242 VanDerWaalsContact OD1-CB 3.28Å; D240-R242 WeakPolarHBondContact OD1-CB 3.04Å; D240-R242 VanDerWaalsContact OD1-CG 3.24Å; D240-R242 WeakPolarHBondContact OD1-CG 2.97Å; D240-R242 IonicContact OD1-CZ 3.43Å; D240-R242 PolarHBondContact OD1-N 2.99Å; D240-R242 IonicContact OD1-NE 2.73Å; D240-R242 PolarHBondContact OD1-NE 3.28Å; D240-R242 IonicContact OD1-NH2 2.73Å; D240-R242 IonicContact OD2-CZ 3.9Å; D240-R242 VanDerWaalsContact OD2-CZ 3.25Å; D240-R242 IonicContact OD2-NE 3.41Å; D240-R242 PolarHBondContact OD2-NE 3.41Å; D240-R242 IonicContact OD2-NH2 3.97Å; D240-R242 PolarHBondContact OD2-NH2 3.1Å; R242-A247 HydrophobicContact CB-CB 4.49Å; R242-N250 VanDerWaalsContact NH1-CB 3.34Å; R242-N250 VanDerWaalsContact NH1-CG 3.32Å; R242-N250 PolarHBondContact NH1-ND2 3.34Å; R242-G256 PolarHBondContact NH2-O 2.76Å; R242-G272 PolarHBondContact O-N 2.72Å; R242-C338 HydrophobicContact CG-CB 4.46Å; R242-S339 WeakPolarHBondContact CD-OG 3.08Å
243P95.9Very high94.5Very high19 Ų1940 Ų4012%0.12323%0.225CC..  trans-63.7141.8157.6-13.728.5000110.2L245 N246 A247 I273P243-L245 PolarHBondContact O-N 3.45Å; P243-L245 VanDerWaalsContact O-N 3.17Å; P243-N246 PolarHBondContact O-N 3.3Å; P243-N246 VanDerWaalsContact O-N 3.11Å; P243-A247 PolarHBondContact O-N 3.15Å; P243-A247 VanDerWaalsContact O-N 3.1Å; P243-I273 WeakPolarHBondContact CD-O 3.47Å
244K94.8Very high93.9Very high123 Ų12341.5 Ų41.554%0.53524%0.241SC..Hα-helixtrans-54.9-36.2-178.8-176.4173.9179.5175.60112.5A247 M248 F270K244-A247 PolarHBondContact O-N 2.57Å; K244-M248 HydrophobicContact CG-CE 4.29Å; K244-M248 HydrophobicContact CG-SD 4.43Å; K244-M248 VanDerWaalsContact O-CG 3.32Å; K244-M248 WeakPolarHBondContact O-CG 3.17Å; K244-M248 PolarHBondContact O-N 2.79Å; K244-F270 HydrophobicContact CB-CD1 4.37Å; K244-F270 HydrophobicContact CB-CD2 4.07Å; K244-F270 HydrophobicContact CB-CE2 4.29Å; K244-F270 HydrophobicContact CB-CG 4.11Å; K244-F270 HydrophobicContact CD-CD2 4.19Å; K244-F270 HydrophobicContact CD-CE2 4.14Å; K244-F270 HydrophobicContact CG-CD2 4.04Å; K244-F270 HydrophobicContact CG-CE2 3.84Å; K244-F270 HydrophobicContact CG-CZ 4.18Å
245L93.3Very high93.7Very high125 Ų12537.8 Ų37.865%0.65422%0.219SC*.Hα-helixtrans-61.6-49.9177.5-174.760.3000111.9P243 A247 M248 A249P243-L245 PolarHBondContact O-N 3.45Å; P243-L245 VanDerWaalsContact O-N 3.17Å; L245-A247 VanDerWaalsContact C-N 3.26Å; L245-A247 PolarHBondContact O-N 3.23Å; L245-M248 HydrophobicContact CD1-CE 4.09Å; L245-M248 WeakPolarHBondContact O-CB 3.26Å; L245-M248 PolarHBondContact O-N 3.32Å; L245-M248 VanDerWaalsContact O-N 3.1Å; L245-A249 PolarHBondContact O-N 3.2Å
246N92.6Very high93.4Very high25 Ų2535.6 Ų35.613%0.13421%0.209CC..Hα-helixtrans-67.1-30.3-179.1-46.533.8000111.2P243 N250P243-N246 PolarHBondContact O-N 3.3Å; P243-N246 VanDerWaalsContact O-N 3.11Å; N246-N250 WeakPolarHBondContact O-CB 3.19Å; N246-N250 PolarHBondContact O-N 3.24Å; N246-N250 PolarHBondContact O-ND2 3.43Å
247A91.7Very high93.2Very high0 Ų037.1 Ų37.10%022%0.215CC..Hα-helixtrans-69.6-39.6171.500000112.3R242 P243 K244 L245 N250 R251 Y257 F270R242-A247 HydrophobicContact CB-CB 4.49Å; P243-A247 PolarHBondContact O-N 3.15Å; P243-A247 VanDerWaalsContact O-N 3.1Å; K244-A247 PolarHBondContact O-N 2.57Å; L245-A247 VanDerWaalsContact C-N 3.26Å; L245-A247 PolarHBondContact O-N 3.23Å; A247-N250 PolarHBondContact O-N 3Å; A247-R251 WeakPolarHBondContact O-CB 3.3Å; A247-R251 PolarHBondContact O-N 3.08Å; A247-Y257 HydrophobicContact CB-CD1 4.07Å; A247-Y257 HydrophobicContact CB-CE1 4.5Å; A247-F270 HydrophobicContact CB-CD1 4.39Å; A247-F270 HydrophobicContact CB-CE1 3.49Å; A247-F270 VanDerWaalsContact CB-CE1 3.49Å; A247-F270 HydrophobicContact CB-CZ 4.13Å
248M91.9Very high93.1Very high82 Ų8236.2 Ų36.240%0.40421%0.212SC..Hα-helixtrans-66.9-38.7172.8-69.2-175.8-56.700112.4K244 L245 R251 A252 Y257K244-M248 HydrophobicContact CG-CE 4.29Å; K244-M248 HydrophobicContact CG-SD 4.43Å; K244-M248 VanDerWaalsContact O-CG 3.32Å; K244-M248 WeakPolarHBondContact O-CG 3.17Å; K244-M248 PolarHBondContact O-N 2.79Å; L245-M248 HydrophobicContact CD1-CE 4.09Å; L245-M248 WeakPolarHBondContact O-CB 3.26Å; L245-M248 PolarHBondContact O-N 3.32Å; L245-M248 VanDerWaalsContact O-N 3.1Å; M248-R251 WeakPolarHBondContact O-CB 3.41Å; M248-R251 PolarHBondContact O-N 2.61Å; M248-A252 PolarHBondContact O-N 3.16Å; M248-Y257 HydrophobicContact CG-CE1 4.41Å
249A91.1Very high92.7Very high46 Ų4638.4 Ų38.438%0.3822%0.224SC..Hα-helixtrans-62.4-46173.500000111.7L245 R251 A252 A253L245-A249 PolarHBondContact O-N 3.2Å; A249-R251 VanDerWaalsContact C-N 3.26Å; A249-R251 PolarHBondContact O-N 2.82Å; A249-A252 PolarHBondContact O-N 3.19Å; A249-A253 PolarHBondContact O-N 2.92Å
250N88.8Confident92.3Very high18 Ų1843.5 Ų43.510%0.09625%0.247CC..Hα-helixtrans-60-35.3172.2-90.4-84000112.5Q207 R242 N246 A247 A253 K255Q207-N250 PolarHBondContact NE2-OD1 3.22Å; R242-N250 VanDerWaalsContact NH1-CB 3.34Å; R242-N250 VanDerWaalsContact NH1-CG 3.32Å; R242-N250 PolarHBondContact NH1-ND2 3.34Å; N246-N250 WeakPolarHBondContact O-CB 3.19Å; N246-N250 PolarHBondContact O-N 3.24Å; N246-N250 PolarHBondContact O-ND2 3.43Å; A247-N250 PolarHBondContact O-N 3Å; N250-A253 CarbonylContact O-C 3.59Å; N250-A253 PolarHBondContact O-N 3.49Å; N250-K255 HydrophobicContact CB-CB 4.38Å; N250-K255 CarbonylContact O-C 3.55Å; N250-K255 WeakPolarHBondContact O-CA 3.41Å; N250-K255 WeakPolarHBondContact O-CB 3.47Å; N250-K255 PolarHBondContact O-N 3.35Å
251R91.1Very high91.9Very high62 Ų6250 Ų5023%0.23428%0.282CS..Hα-helixtrans-63.2-41.1175.1-166.8179.1175.3179.3-4.8112.3G211 F212 A247 M248 A249 A253 G254 K255 Y257G211-R251 CarbonylContact C-O 3.58Å; G211-R251 WeakPolarHBondContact CA-O 3.22Å; G211-R251 WeakPolarHBondContact O-CG 3.24Å; G211-R251 PolarHBondContact O-NE 2.83Å; F212-R251 PolarHBondContact O-NH2 2.95Å; A247-R251 WeakPolarHBondContact O-CB 3.3Å; A247-R251 PolarHBondContact O-N 3.08Å; M248-R251 WeakPolarHBondContact O-CB 3.41Å; M248-R251 PolarHBondContact O-N 2.61Å; A249-R251 VanDerWaalsContact C-N 3.26Å; A249-R251 PolarHBondContact O-N 2.82Å; R251-A253 VanDerWaalsContact C-N 3.26Å; R251-A253 PolarHBondContact O-N 3.36Å; R251-G254 PolarHBondContact O-N 3.1Å; R251-K255 WeakPolarHBondContact CA-O 3.04Å; R251-Y257 HydrophobicContact CB-CE1 4.47Å; R251-Y257 PolarHBondContact NH1-OH 2.7Å
252A89.2Confident91.6Very high62 Ų6251.7 Ų51.751%0.51229%0.291SS..Hα-helixtrans-64.5-30.9174.100000112.7F212 M248 A249 G254F212-A252 HydrophobicContact CZ-CB 4.04Å; M248-A252 PolarHBondContact O-N 3.16Å; A249-A252 PolarHBondContact O-N 3.19Å; A252-G254 PolarHBondContact O-N 3.09Å
253A87.7Confident91.5Very high75 Ų7552.1 Ų52.162%0.6229%0.293SS*.THydrogen-bonded Turntrans-81.819.6174.800000114.5A249 N250 R251 K255A249-A253 PolarHBondContact O-N 2.92Å; N250-A253 CarbonylContact O-C 3.59Å; N250-A253 PolarHBondContact O-N 3.49Å; R251-A253 VanDerWaalsContact C-N 3.26Å; R251-A253 PolarHBondContact O-N 3.36Å; A253-K255 VanDerWaalsContact C-N 3.28Å; A253-K255 PolarHBondContact O-N 2.79Å
254G84.6Confident91.2Very high39 Ų3954.6 Ų54.640%0.40231%0.311SS..THydrogen-bonded Turntrans79.60.6177.900000115.5L209 G211 R251 A252L209-G254 CarbonylContact C-O 3.37Å; G211-G254 PolarHBondContact N-O 3.2Å; R251-G254 PolarHBondContact O-N 3.1Å; A252-G254 PolarHBondContact O-N 3.09Å
255K90.8Very high91.1Very high46 Ų4652.5 Ų52.520%0.231%0.305CS..  trans-95.6-140.3170.7-46.3-174.4-165.8168.30109.1Q207 P208 L209 S210 G211 N250 R251 A253Q207-K255 VanDerWaalsContact CD-CB 3.47Å; Q207-K255 HydrophobicContact CG-CB 4.07Å; Q207-K255 HydrophobicContact CG-CD 4.42Å; P208-K255 CarbonylContact O-C 3.45Å; L209-K255 HydrophobicContact CD2-CB 4.41Å; L209-K255 HydrophobicContact CD2-CG 4.09Å; S210-K255 PolarHBondContact OG-O 3.41Å; S210-K255 VanDerWaalsContact OG-O 3.1Å; G211-K255 VanDerWaalsContact CA-O 3.25Å; G211-K255 WeakPolarHBondContact CA-O 3.5Å; G211-K255 PolarHBondContact N-O 3Å; N250-K255 HydrophobicContact CB-CB 4.38Å; N250-K255 CarbonylContact O-C 3.55Å; N250-K255 WeakPolarHBondContact O-CA 3.41Å; N250-K255 WeakPolarHBondContact O-CB 3.47Å; N250-K255 PolarHBondContact O-N 3.35Å; R251-K255 WeakPolarHBondContact CA-O 3.04Å; A253-K255 VanDerWaalsContact C-N 3.28Å; A253-K255 PolarHBondContact O-N 2.79Å
256G91.1Very high91.2Very high0 Ų047.4 Ų47.40%028%0.279CS..  trans138.7-134169.400000113.9Q207 P208 R242Q207-G256 WeakPolarHBondContact CB-O 3.09Å; Q207-G256 PolarHBondContact OE1-O 3.07Å; P208-G256 PolarHBondContact O-N 2.9Å; R242-G256 PolarHBondContact NH2-O 2.76Å
257Y94.6Very high91.4Very high35 Ų3550 Ų5014%0.13729%0.289CS..  trans-160.3161.3-173.957.8-91000110.1S210 A247 M248 R251 N259 F268 F270S210-Y257 PolarHBondContact OG-N 3.41Å; A247-Y257 HydrophobicContact CB-CD1 4.07Å; A247-Y257 HydrophobicContact CB-CE1 4.5Å; M248-Y257 HydrophobicContact CG-CE1 4.41Å; R251-Y257 HydrophobicContact CB-CE1 4.47Å; R251-Y257 PolarHBondContact NH1-OH 2.7Å; Y257-N259 PolarHBondContact O-N 3.28Å; Y257-F268 HydrophobicContact CD2-CE1 4.43Å; Y257-F268 HydrophobicContact CD2-CE2 4.2Å; Y257-F268 HydrophobicContact CD2-CZ 4.04Å; Y257-F268 HydrophobicContact CG-CE2 4.49Å; Y257-F268 HydrophobicContact CG-CZ 4.11Å; Y257-F270 HydrophobicContact CD1-CZ 4.2Å; Y257-F270 HydrophobicContact CD2-CZ 4.23Å; Y257-F270 HydrophobicContact CE1-CZ 4.3Å; Y257-F270 HydrophobicContact CE2-CZ 4.34Å; Y257-F270 HydrophobicContact CG-CZ 4.18Å
258E95.3Very high91.7Very high2 Ų251.7 Ų51.71%0.00930%0.296CS..  trans-62.1126.5-176.6-7181.3158.300111R183 P208 L223 V238 Y263 I266 F268 H337R183-E258 IonicContact CZ-OE1 2.92Å; R183-E258 IonicContact NH1-OE1 3.7Å; R183-E258 PolarHBondContact NH1-OE1 3.16Å; R183-E258 IonicContact NH2-OE1 2.77Å; R183-E258 PolarHBondContact NH2-OE1 3.29Å; P208-E258 WeakPolarHBondContact CD-OE2 3.4Å; P208-E258 HydrophobicContact CG-CG 4.44Å; P208-E258 WeakPolarHBondContact CG-OE2 3.05Å; L223-E258 HydrophobicContact CD2-CG 4.17Å; V238-E258 HydrophobicContact CG1-CB 4.45Å; V238-E258 HydrophobicContact CG1-CG 4.31Å; E258-Y263 HydrophobicContact CB-CD2 3.7Å; E258-Y263 HydrophobicContact CB-CE2 3.87Å; E258-Y263 HydrophobicContact CB-CG 4.14Å; E258-Y263 HydrophobicContact CG-CD1 4.28Å; E258-Y263 HydrophobicContact CG-CD2 3.98Å; E258-Y263 HydrophobicContact CG-CE1 4.08Å; E258-Y263 HydrophobicContact CG-CE2 3.8Å; E258-Y263 HydrophobicContact CG-CG 4.21Å; E258-I266 HydrophobicContact CB-CD1 3.81Å; E258-F268 HydrophobicContact CB-CD2 4.13Å; E258-F268 HydrophobicContact CB-CE2 4.04Å; E258-H337 IonicContact OE1-NE2 3.25Å; E258-H337 IonicContact OE2-CE1 3.95Å; E258-H337 IonicContact OE2-NE2 3.76Å; E258-H337 PolarHBondContact OE2-NE2 3.28Å
259N91Very high91.9Very high47 Ų4751.6 Ų51.625%0.25130%0.295SS..  trans-89.6125.5174-172.821.4000110.6Y257 D261 N262 Y263Y257-N259 PolarHBondContact O-N 3.28Å; N259-D261 PolarHBondContact ND2-OD2 2.69Å; N259-D261 PolarHBondContact O-N 2.99Å; N259-D261 PolarHBondContact OD1-OD2 3.4Å; N259-N262 HydrophobicContact CB-CB 4.42Å; N259-N262 PolarHBondContact O-N 3.28Å; N259-Y263 WeakPolarHBondContact O-CD2 3.11Å; N259-Y263 PolarHBondContact O-N 3.41Å
260E89.4Confident92.1Very high107 Ų10751.4 Ų51.450%0.529%0.285SS..THydrogen-bonded Turntrans-61.4-26.1-178-59.1-174.3130.400112.8N262 I266 F268E260-N262 VanDerWaalsContact C-N 3.28Å; E260-N262 PolarHBondContact O-N 2.64Å; E260-I266 HydrophobicContact CG-CD1 4.08Å; E260-I266 HydrophobicContact CG-CG1 4.01Å; E260-F268 HydrophobicContact CG-CB 4.12Å; E260-F268 WeakPolarHBondContact OE1-CB 3.47Å; E260-F268 PolarHBondContact OE1-N 2.89Å
261D89.6Confident92.2Very high137 Ų13752.5 Ų52.573%0.73329%0.291SS*.THydrogen-bonded Turntrans-66-28.6172.3-52.9-49.3000113.4N259N259-D261 PolarHBondContact ND2-OD2 2.69Å; N259-D261 PolarHBondContact O-N 2.99Å; N259-D261 PolarHBondContact OD1-OD2 3.4Å
262N92.6Very high92.4Very high34 Ų3451 Ų5118%0.18230%0.295CS..THydrogen-bonded Turntrans-96.8-42.4-175.4-64.8-25.8000111R215 N259 E260 S264R215-N262 VanDerWaalsContact CD-CG 3.48Å; R215-N262 WeakPolarHBondContact CD-OD1 3.26Å; R215-N262 WeakPolarHBondContact CG-ND2 3.4Å; R215-N262 PolarHBondContact NE-OD1 2.85Å; R215-N262 PolarHBondContact NH1-OD1 3.18Å; N259-N262 HydrophobicContact CB-CB 4.42Å; N259-N262 PolarHBondContact O-N 3.28Å; E260-N262 VanDerWaalsContact C-N 3.28Å; E260-N262 PolarHBondContact O-N 2.64Å; N262-S264 PolarHBondContact O-N 3.21Å
263Y93.9Very high92.7Very high10 Ų1048 Ų484%0.03927%0.27CS..SBendtrans-95.685.8-179.4-67.8-91.9000109.5F182 D219 E220 L223 E258 N259 I266F182-Y263 WeakPolarHBondContact CE1-OH 3.5Å; D219-Y263 WeakPolarHBondContact OD2-CE1 3.14Å; D219-Y263 PolarHBondContact OD2-OH 3.14Å; E220-Y263 HydrophobicContact CB-CD1 4.41Å; E220-Y263 HydrophobicContact CB-CE1 4.37Å; E220-Y263 HydrophobicContact CG-CD1 3.88Å; E220-Y263 HydrophobicContact CG-CE1 3.75Å; E220-Y263 HydrophobicContact CG-CE2 4.49Å; E220-Y263 HydrophobicContact CG-CG 4.34Å; L223-Y263 HydrophobicContact CB-CD1 4.4Å; L223-Y263 HydrophobicContact CD1-CE1 4.45Å; L223-Y263 HydrophobicContact CD2-CD1 3.71Å; L223-Y263 HydrophobicContact CD2-CE1 3.99Å; E258-Y263 HydrophobicContact CB-CD2 3.7Å; E258-Y263 HydrophobicContact CB-CE2 3.87Å; E258-Y263 HydrophobicContact CB-CG 4.14Å; E258-Y263 HydrophobicContact CG-CD1 4.28Å; E258-Y263 HydrophobicContact CG-CD2 3.98Å; E258-Y263 HydrophobicContact CG-CE1 4.08Å; E258-Y263 HydrophobicContact CG-CE2 3.8Å; E258-Y263 HydrophobicContact CG-CG 4.21Å; N259-Y263 WeakPolarHBondContact O-CD2 3.11Å; N259-Y263 PolarHBondContact O-N 3.41Å; Y263-I266 WeakPolarHBondContact O-CG1 3.46Å
264S89.6Confident93.2Very high72 Ų7247.2 Ų47.250%0.50325%0.253SS..THydrogen-bonded Turntrans-58.5149.3173.354.90000111.5Q224 N262 I266Q224-S264 PolarHBondContact NE2-O 3.17Å; Q224-S264 PolarHBondContact NE2-OG 3.03Å; N262-S264 PolarHBondContact O-N 3.21Å; S264-I266 VanDerWaalsContact C-N 3.3Å; S264-I266 PolarHBondContact O-N 2.94Å
265N93Very high93.8Very high79 Ų7946 Ų4642%0.42224%0.238SC..THydrogen-bonded Turntrans64.123.9179.2-54.992.4000115.3Q224 R227 D234 F235 V236Q224-N265 PolarHBondContact NE2-OD1 2.76Å; R227-N265 HydrophobicContact CG-CB 4.44Å; D234-N265 WeakPolarHBondContact O-CB 3.18Å; D234-N265 PolarHBondContact O-ND2 2.88Å; F235-N265 CarbonylContact C-O 3.36Å; F235-N265 WeakPolarHBondContact CA-O 3.41Å; F235-N265 WeakPolarHBondContact CB-O 3.33Å; V236-N265 PolarHBondContact N-O 3.23Å
266I96.5Very high94.1Very high18 Ų1844.3 Ų44.39%0.09223%0.231CC..EExtended strand (participates in β ladder)trans-99.2158.6166.580.3170.7000111.9L223 V236 V238 E258 E260 Y263 S264 F268L223-I266 HydrophobicContact CD2-CG2 4.25Å; V236-I266 HydrophobicContact CG1-CB 4.4Å; V236-I266 HydrophobicContact CG1-CG2 3.82Å; V236-I266 CarbonylContact O-C 3.53Å; V236-I266 VanDerWaalsContact O-CA 3.25Å; V236-I266 WeakPolarHBondContact O-CA 3.41Å; V238-I266 HydrophobicContact CB-CD1 4.44Å; V238-I266 HydrophobicContact CG2-CB 3.97Å; V238-I266 HydrophobicContact CG2-CD1 4.02Å; V238-I266 HydrophobicContact CG2-CG2 4.01Å; E258-I266 HydrophobicContact CB-CD1 3.81Å; E260-I266 HydrophobicContact CG-CD1 4.08Å; E260-I266 HydrophobicContact CG-CG1 4.01Å; Y263-I266 WeakPolarHBondContact O-CG1 3.46Å; S264-I266 VanDerWaalsContact C-N 3.3Å; S264-I266 PolarHBondContact O-N 2.94Å; I266-F268 HydrophobicContact CD1-CD2 4.23Å
267K97Very high94.4Very high80 Ų8046 Ų4635%0.34824%0.239SC..EExtended strand (participates in β ladder)trans-123.2117.6158.7-68.7-178.8-175.2170.30108.1F235 V236 Y237 V238F235-K267 HydrophobicContact CD2-CB 4.47Å; F235-K267 HydrophobicContact CD2-CD 3.58Å; F235-K267 HydrophobicContact CD2-CG 3.84Å; F235-K267 HydrophobicContact CE2-CD 3.59Å; F235-K267 HydrophobicContact CE2-CG 4.35Å; F235-K267 VanDerWaalsContact CE2-NZ 3.35Å; F235-K267 HydrophobicContact CG-CD 4.22Å; F235-K267 HydrophobicContact CG-CG 4.33Å; F235-K267 HydrophobicContact CZ-CD 4.22Å; V236-K267 PolarHBondContact O-N 3.35Å; Y237-K267 WeakPolarHBondContact CA-O 3.48Å; Y237-K267 HydrophobicContact CD1-CB 3.61Å; Y237-K267 HydrophobicContact CD1-CD 4.18Å; Y237-K267 HydrophobicContact CE1-CB 3.67Å; Y237-K267 HydrophobicContact CE1-CD 3.46Å; Y237-K267 VanDerWaalsContact CE1-CD 3.46Å; Y237-K267 HydrophobicContact CE1-CG 4.25Å; Y237-K267 PolarHBondContact OH-NZ 3.27Å; V238-K267 PolarHBondContact N-O 3.28Å
268F96.1Very high94.6Very high34 Ų3446.6 Ų46.615%0.14925%0.246CC..EExtended strand (participates in β ladder)trans-90.6134.3-175.6-159.1-77000112.7V238 D240 Y257 E258 E260 I266 F270V238-F268 HydrophobicContact CB-CD2 3.87Å; V238-F268 HydrophobicContact CB-CE2 4.18Å; V238-F268 HydrophobicContact CG1-CD2 3.73Å; V238-F268 HydrophobicContact CG1-CE2 3.5Å; V238-F268 VanDerWaalsContact CG1-CE2 3.5Å; V238-F268 HydrophobicContact CG1-CZ 4.37Å; D240-F268 HydrophobicContact CB-CE1 3.86Å; D240-F268 HydrophobicContact CB-CZ 3.57Å; Y257-F268 HydrophobicContact CD2-CE1 4.43Å; Y257-F268 HydrophobicContact CD2-CE2 4.2Å; Y257-F268 HydrophobicContact CD2-CZ 4.04Å; Y257-F268 HydrophobicContact CG-CE2 4.49Å; Y257-F268 HydrophobicContact CG-CZ 4.11Å; E258-F268 HydrophobicContact CB-CD2 4.13Å; E258-F268 HydrophobicContact CB-CE2 4.04Å; E260-F268 HydrophobicContact CG-CB 4.12Å; E260-F268 WeakPolarHBondContact OE1-CB 3.47Å; E260-F268 PolarHBondContact OE1-N 2.89Å; I266-F268 HydrophobicContact CD1-CD2 4.23Å; F268-F270 HydrophobicContact CD1-CD2 4.18Å; F268-F270 AromaticContact CD1-CE2 3.89Å; F268-F270 HydrophobicContact CD1-CE2 3.89Å; F268-F270 HydrophobicContact CD1-CZ 4.17Å; F268-F270 HydrophobicContact CE1-CD1 4.02Å; F268-F270 AromaticContact CE1-CD2 3.94Å; F268-F270 HydrophobicContact CE1-CD2 3.94Å; F268-F270 AromaticContact CE1-CE1 3.63Å; F268-F270 HydrophobicContact CE1-CE1 3.63Å; F268-F270 AromaticContact CE1-CE2 3.55Å; F268-F270 HydrophobicContact CE1-CE2 3.55Å; F268-F270 HydrophobicContact CE1-CG 4.16Å; F268-F270 AromaticContact CE1-CZ 3.39Å; F268-F270 HydrophobicContact CE1-CZ 3.39Å; F268-F270 HydrophobicContact CZ-CE1 4.18Å; F268-F270 HydrophobicContact CZ-CZ 4.08Å
269Q96.5Very high94.7Very high81 Ų8146.7 Ų46.738%0.37925%0.247SC..EExtended strand (participates in β ladder)trans-135132.6178.4-175.161.252.500112.1V238 V239 D240 I271 F322V238-Q269 PolarHBondContact O-N 3.41Å; V239-Q269 WeakPolarHBondContact CA-O 3.37Å; D240-Q269 PolarHBondContact N-O 3.21Å; Q269-I271 HydrophobicContact CG-CD1 3.8Å; Q269-F322 HydrophobicContact CB-CE1 4.36Å; Q269-F322 HydrophobicContact CB-CZ 4.29Å; Q269-F322 HydrophobicContact CG-CE1 4.15Å; Q269-F322 HydrophobicContact CG-CE2 4.48Å; Q269-F322 HydrophobicContact CG-CZ 4.01Å
270F96.4Very high95.1Very high42 Ų4248 Ų4818%0.18425%0.248CC..EExtended strand (participates in β ladder)trans-98140.7167.9-69.9-76.1000110.7D240 K244 A247 Y257 F268D240-F270 HydrophobicContact CB-CD1 3.9Å; D240-F270 HydrophobicContact CB-CE1 3.92Å; D240-F270 WeakPolarHBondContact O-CA 3.36Å; K244-F270 HydrophobicContact CB-CD1 4.37Å; K244-F270 HydrophobicContact CB-CD2 4.07Å; K244-F270 HydrophobicContact CB-CE2 4.29Å; K244-F270 HydrophobicContact CB-CG 4.11Å; K244-F270 HydrophobicContact CD-CD2 4.19Å; K244-F270 HydrophobicContact CD-CE2 4.14Å; K244-F270 HydrophobicContact CG-CD2 4.04Å; K244-F270 HydrophobicContact CG-CE2 3.84Å; K244-F270 HydrophobicContact CG-CZ 4.18Å; A247-F270 HydrophobicContact CB-CD1 4.39Å; A247-F270 HydrophobicContact CB-CE1 3.49Å; A247-F270 VanDerWaalsContact CB-CE1 3.49Å; A247-F270 HydrophobicContact CB-CZ 4.13Å; Y257-F270 HydrophobicContact CD1-CZ 4.2Å; Y257-F270 HydrophobicContact CD2-CZ 4.23Å; Y257-F270 HydrophobicContact CE1-CZ 4.3Å; Y257-F270 HydrophobicContact CE2-CZ 4.34Å; Y257-F270 HydrophobicContact CG-CZ 4.18Å; F268-F270 HydrophobicContact CD1-CD2 4.18Å; F268-F270 AromaticContact CD1-CE2 3.89Å; F268-F270 HydrophobicContact CD1-CE2 3.89Å; F268-F270 HydrophobicContact CD1-CZ 4.17Å; F268-F270 HydrophobicContact CE1-CD1 4.02Å; F268-F270 AromaticContact CE1-CD2 3.94Å; F268-F270 HydrophobicContact CE1-CD2 3.94Å; F268-F270 AromaticContact CE1-CE1 3.63Å; F268-F270 HydrophobicContact CE1-CE1 3.63Å; F268-F270 AromaticContact CE1-CE2 3.55Å; F268-F270 HydrophobicContact CE1-CE2 3.55Å; F268-F270 HydrophobicContact CE1-CG 4.16Å; F268-F270 AromaticContact CE1-CZ 3.39Å; F268-F270 HydrophobicContact CE1-CZ 3.39Å; F268-F270 HydrophobicContact CZ-CE1 4.18Å; F268-F270 HydrophobicContact CZ-CZ 4.08Å
271I91Very high95.5Very high40 Ų4047.1 Ų47.121%0.20525%0.247CC..  trans-111.4-23.5178.2-49.8-66.8000114.3V239 D240 Q269 I273 A319 F322V239-I271 HydrophobicContact CG1-CD1 4.26Å; V239-I271 HydrophobicContact CG1-CG1 3.63Å; D240-I271 PolarHBondContact O-N 3.25Å; D240-I271 VanDerWaalsContact O-N 3.14Å; Q269-I271 HydrophobicContact CG-CD1 3.8Å; I271-I273 HydrophobicContact CG2-CG1 4.46Å; I271-A319 HydrophobicContact CB-CB 4.37Å; I271-A319 HydrophobicContact CG1-CB 4.34Å; I271-A319 HydrophobicContact CG2-CB 3.62Å; I271-F322 HydrophobicContact CD1-CD1 4.29Å; I271-F322 HydrophobicContact CD1-CG 4.44Å
272G93.8Very high95.9Very high31 Ų3140.8 Ų40.832%0.3221%0.213SC..  trans86.326.8171.800000116.9T241 R242 E274T241-G272 PolarHBondContact O-N 3.31Å; R242-G272 PolarHBondContact O-N 2.72Å; G272-E274 PolarHBondContact O-N 2.85Å
273I97.4Very high96.1Very high0 Ų040 Ų400%021%0.209CC..  trans-81.2114.1174-50.9172.8000110T241 P243 I271 M279 A315 I316 A319 R344 V348T241-I273 HydrophobicContact CG2-CD1 4.48Å; T241-I273 WeakPolarHBondContact O-CA 3.32Å; T241-I273 WeakPolarHBondContact O-CB 3.4Å; T241-I273 PolarHBondContact O-N 2.97Å; P243-I273 WeakPolarHBondContact CD-O 3.47Å; I271-I273 HydrophobicContact CG2-CG1 4.46Å; I273-M279 HydrophobicContact CG2-CE 3.6Å; I273-A315 HydrophobicContact CG1-CB 4.16Å; I273-I316 HydrophobicContact CD1-CB 4.5Å; I273-I316 HydrophobicContact CD1-CG1 4.03Å; I273-I316 HydrophobicContact CG2-CG1 4.12Å; I273-A319 HydrophobicContact CD1-CB 4.02Å; I273-R344 HydrophobicContact CB-CG 4.22Å; I273-R344 HydrophobicContact CG2-CG 3.78Å; I273-R344 WeakPolarHBondContact O-CD 3.28Å; I273-R344 PolarHBondContact O-NH1 2.8Å; I273-V348 HydrophobicContact CD1-CG2 3.56Å
274E97.2Very high96.2Very high57 Ų5744.2 Ų44.227%0.26623%0.229SC..  trans-59.5169.5-177.5-68.9-66.3177.300114.8G272 V278 M279 R344G272-E274 PolarHBondContact O-N 2.85Å; E274-V278 HydrophobicContact CB-CB 3.78Å; E274-V278 HydrophobicContact CB-CG1 3.79Å; E274-V278 HydrophobicContact CB-CG2 4.05Å; E274-V278 HydrophobicContact CG-CB 4.48Å; E274-V278 HydrophobicContact CG-CG1 4.08Å; E274-M279 HydrophobicContact CB-CE 3.87Å; E274-M279 WeakPolarHBondContact O-CE 3.36Å; E274-R344 WeakPolarHBondContact O-CD 3.27Å; E274-R344 PolarHBondContact O-NH1 2.89Å
275N96.8Very high96.6Very high15 Ų1546 Ų468%0.0823%0.228CC..  trans-77.6170.8-177.874.436.2000113.6H277 V278 M279N275-H277 PolarHBondContact O-N 3.49Å; N275-H277 WeakPolarHBondContact OD1-CB 3.37Å; N275-H277 PolarHBondContact OD1-N 2.92Å; N275-V278 PolarHBondContact O-N 3.4Å; N275-V278 VanDerWaalsContact O-N 3.17Å; N275-V278 PolarHBondContact OD1-N 3.31Å; N275-M279 PolarHBondContact O-N 3.26Å
276I97.8Very high96.8Very high10 Ų1042.3 Ų42.35%0.05121%0.208CC..Hα-helixtrans-58.5-29.9-176.460.1168.2000114R280 D343 S396 V398I276-R280 PolarHBondContact O-N 3.47Å; I276-R280 VanDerWaalsContact O-N 3.07Å; I276-D343 HydrophobicContact CG2-CB 4.5Å; I276-S396 WeakPolarHBondContact CA-OG 3.31Å; I276-S396 WeakPolarHBondContact CB-OG 3.28Å; I276-S396 WeakPolarHBondContact O-CB 3.38Å; I276-S396 PolarHBondContact O-OG 3.21Å; I276-V398 HydrophobicContact CG2-CG2 4.24Å
277H97.6Very high96.6Very high35 Ų3543.1 Ų43.116%0.16221%0.212CC..Hα-helixtrans-75.1-37.4-179.1-49-47.9000111.1N275 N281 K393N275-H277 PolarHBondContact O-N 3.49Å; N275-H277 WeakPolarHBondContact OD1-CB 3.37Å; N275-H277 PolarHBondContact OD1-N 2.92Å; H277-N281 WeakPolarHBondContact O-CB 3.48Å; H277-N281 PolarHBondContact O-N 3.01Å; H277-N281 PolarHBondContact O-OD1 3.5Å; H277-K393 PolarHBondContact CE1-O 2.88Å; H277-K393 PolarHBondContact ND1-O 3.46Å
278V98.3Very high96.4Very high48 Ų4844 Ų4429%0.29122%0.217SC..Hα-helixtrans-62.7-45172.6179.70000110.3E274 N275 R280 N281 S282E274-V278 HydrophobicContact CB-CB 3.78Å; E274-V278 HydrophobicContact CB-CG1 3.79Å; E274-V278 HydrophobicContact CB-CG2 4.05Å; E274-V278 HydrophobicContact CG-CB 4.48Å; E274-V278 HydrophobicContact CG-CG1 4.08Å; N275-V278 PolarHBondContact O-N 3.4Å; N275-V278 VanDerWaalsContact O-N 3.17Å; N275-V278 PolarHBondContact OD1-N 3.31Å; V278-R280 PolarHBondContact O-N 3.06Å; V278-N281 PolarHBondContact O-N 2.97Å; V278-S282 VanDerWaalsContact O-CB 3.31Å; V278-S282 WeakPolarHBondContact O-CB 3.48Å; V278-S282 PolarHBondContact O-N 3.32Å
279M98.3Very high96.3Very high4 Ų443.1 Ų43.12%0.0222%0.215CC..Hα-helixtrans-64-40.8179.5-56.2-44.918000112.8I273 E274 N275 S282 L283 H312 Q401I273-M279 HydrophobicContact CG2-CE 3.6Å; E274-M279 HydrophobicContact CB-CE 3.87Å; E274-M279 WeakPolarHBondContact O-CE 3.36Å; N275-M279 PolarHBondContact O-N 3.26Å; M279-S282 PolarHBondContact O-N 3.28Å; M279-L283 PolarHBondContact O-N 2.99Å; M279-H312 HydrophobicContact CE-CB 4.12Å; M279-H312 HydrophobicContact SD-CB 3.72Å; M279-H312 VanDerWaalsContact SD-CG 3.53Å; M279-Q401 PolarHBondContact SD-NE2 3.35Å
280R97.6Very high95.9Very high74 Ų7439.8 Ų39.828%0.27920%0.2SC..Hα-helixtrans-61-47.7173.3179.8-16959.5-170.6-6.7111.6I276 V278 S282 L283 Q284 P392 I395I276-R280 PolarHBondContact O-N 3.47Å; I276-R280 VanDerWaalsContact O-N 3.07Å; V278-R280 PolarHBondContact O-N 3.06Å; R280-S282 VanDerWaalsContact C-N 3.29Å; R280-S282 PolarHBondContact O-N 3.33Å; R280-L283 PolarHBondContact O-N 2.85Å; R280-Q284 WeakPolarHBondContact O-CB 3.49Å; R280-Q284 PolarHBondContact O-N 3.27Å; R280-P392 PolarHBondContact NH1-O 3.01Å; R280-I395 WeakPolarHBondContact CD-O 3.22Å
281N98.3Very high95.5Very high88 Ų8840.2 Ų40.247%0.47120%0.203SC..Hα-helixtrans-66.2-33.5180-66.31000111.7H277 V278 K285H277-N281 WeakPolarHBondContact O-CB 3.48Å; H277-N281 PolarHBondContact O-N 3.01Å; H277-N281 PolarHBondContact O-OD1 3.5Å; V278-N281 PolarHBondContact O-N 2.97Å; N281-K285 WeakPolarHBondContact O-CG 3.3Å; N281-K285 PolarHBondContact O-N 3.12Å; N281-K285 VanDerWaalsContact O-N 3.11Å
282S98.5Very high95.2Very high4 Ų442.2 Ų42.23%0.02821%0.213CC..Hα-helixtrans-65.2-48.7175.5-1780000111.8V278 M279 R280 Q284 K285 M286 S307 W309V278-S282 VanDerWaalsContact O-CB 3.31Å; V278-S282 WeakPolarHBondContact O-CB 3.48Å; V278-S282 PolarHBondContact O-N 3.32Å; M279-S282 PolarHBondContact O-N 3.28Å; R280-S282 VanDerWaalsContact C-N 3.29Å; R280-S282 PolarHBondContact O-N 3.33Å; S282-Q284 PolarHBondContact O-N 3.48Å; S282-K285 PolarHBondContact O-N 3.33Å; S282-M286 PolarHBondContact O-N 2.91Å; S282-S307 WeakPolarHBondContact CA-O 3.41Å; S282-S307 VanDerWaalsContact CB-O 3.3Å; S282-S307 WeakPolarHBondContact CB-O 3.41Å; S282-S307 PolarHBondContact OG-O 3.47Å; S282-W309 VanDerWaalsContact OG-CA 3.27Å; S282-W309 WeakPolarHBondContact OG-CA 3.18Å; S282-W309 PolarHBondContact OG-N 3.15Å
283L97.3Very high94.5Very high18 Ų1849.4 Ų49.49%0.09424%0.236CC..Hα-helixtrans-59.2-46.1174.117860.5000111.4F77 M279 R280 K285 M286 L287 W309 P397 Y504F77-L283 HydrophobicContact CE1-CD1 4.33Å; F77-L283 HydrophobicContact CE1-CD2 4.34Å; M279-L283 PolarHBondContact O-N 2.99Å; R280-L283 PolarHBondContact O-N 2.85Å; L283-K285 PolarHBondContact O-N 3.37Å; L283-M286 HydrophobicContact CD1-CE 3.62Å; L283-M286 PolarHBondContact O-N 2.92Å; L283-M286 VanDerWaalsContact O-N 3.11Å; L283-L287 HydrophobicContact CD1-CD1 4.09Å; L283-L287 HydrophobicContact CD1-CD2 4.29Å; L283-L287 HydrophobicContact CD1-CG 3.95Å; L283-L287 HydrophobicContact CG-CD1 3.95Å; L283-L287 HydrophobicContact CG-CG 4.23Å; L283-L287 WeakPolarHBondContact O-CG 3.46Å; L283-L287 PolarHBondContact O-N 3Å; L283-W309 HydrophobicContact CB-CE3 4.08Å; L283-W309 HydrophobicContact CB-CH2 4.27Å; L283-W309 HydrophobicContact CB-CZ3 3.68Å; L283-W309 HydrophobicContact CD1-CH2 4.29Å; L283-W309 HydrophobicContact CD1-CZ3 4.38Å; L283-P397 HydrophobicContact CB-CG 3.99Å; L283-P397 HydrophobicContact CD2-CB 3.57Å; L283-P397 HydrophobicContact CD2-CG 3.67Å; L283-P397 HydrophobicContact CG-CG 4.45Å; L283-Y504 HydrophobicContact CD1-CE1 4.05Å
284Q96.2Very high93.7Very high98 Ų9854.7 Ų54.746%0.45827%0.273SS..Hα-helixtrans-56.1-48.6179.8178.456.239.300111.9R280 S282 M286 L287 E288R280-Q284 WeakPolarHBondContact O-CB 3.49Å; R280-Q284 PolarHBondContact O-N 3.27Å; S282-Q284 PolarHBondContact O-N 3.48Å; Q284-M286 VanDerWaalsContact C-N 3.34Å; Q284-M286 PolarHBondContact O-N 3.1Å; Q284-L287 PolarHBondContact O-N 3.28Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.08Å; Q284-E288 PolarHBondContact NE2-OE1 3.09Å; Q284-E288 WeakPolarHBondContact O-CG 3.41Å; Q284-E288 PolarHBondContact O-N 3.43Å
285K97.4Very high93.1Very high111 Ų11154.3 Ų54.348%0.48328%0.275SS..Hα-helixtrans-60.3-40.4175-74.6179.5173.2-170.90113N281 S282 L283 E288 V289N281-K285 WeakPolarHBondContact O-CG 3.3Å; N281-K285 PolarHBondContact O-N 3.12Å; N281-K285 VanDerWaalsContact O-N 3.11Å; S282-K285 PolarHBondContact O-N 3.33Å; L283-K285 PolarHBondContact O-N 3.37Å; K285-E288 PolarHBondContact O-N 3.31Å; K285-V289 WeakPolarHBondContact O-CG2 3.4Å; K285-V289 PolarHBondContact O-N 2.74Å
286M96Very high92.8Very high1 Ų156.1 Ų56.11%0.00529%0.289CS..Hα-helixtrans-66.7-40.1178.2-173.8-166.574.200111.4S282 L283 Q284 V289 C290 L304 W309 F499 Y504S282-M286 PolarHBondContact O-N 2.91Å; L283-M286 HydrophobicContact CD1-CE 3.62Å; L283-M286 PolarHBondContact O-N 2.92Å; L283-M286 VanDerWaalsContact O-N 3.11Å; Q284-M286 VanDerWaalsContact C-N 3.34Å; Q284-M286 PolarHBondContact O-N 3.1Å; M286-V289 WeakPolarHBondContact O-CB 3.3Å; M286-V289 PolarHBondContact O-N 2.88Å; M286-C290 PolarHBondContact O-N 3.22Å; M286-C290 PolarHBondContact O-SG 2.8Å; M286-L304 HydrophobicContact CG-CD1 3.99Å; M286-L304 HydrophobicContact SD-CD1 4.32Å; M286-W309 HydrophobicContact CB-CB 4.35Å; M286-W309 HydrophobicContact CE-CG 4.47Å; M286-W309 HydrophobicContact CG-CB 4.46Å; M286-W309 HydrophobicContact SD-CB 3.83Å; M286-W309 HydrophobicContact SD-CD2 4.18Å; M286-W309 HydrophobicContact SD-CG 3.49Å; M286-F499 HydrophobicContact CG-CE2 4.25Å; M286-F499 HydrophobicContact SD-CD2 4.43Å; M286-F499 HydrophobicContact SD-CE2 3.96Å; M286-Y504 HydrophobicContact CE-CD1 3.48Å; M286-Y504 VanDerWaalsContact CE-CD1 3.48Å; M286-Y504 HydrophobicContact CE-CD2 3.69Å; M286-Y504 HydrophobicContact CE-CE1 3.31Å; M286-Y504 HydrophobicContact CE-CE2 3.53Å; M286-Y504 HydrophobicContact CE-CG 3.68Å; M286-Y504 HydrophobicContact SD-CD2 4.38Å; M286-Y504 HydrophobicContact SD-CE2 4.17Å
287L93.6Very high92.5Very high34 Ų3462.1 Ų62.118%0.17832%0.319CS..Hα-helixtrans-65.7-37175.6-65.8177.1000111.9F77 L283 Q284 V289 C290 E291 Y504F77-L287 HydrophobicContact CB-CD2 4.34Å; F77-L287 HydrophobicContact CD1-CD1 3.91Å; F77-L287 HydrophobicContact CD1-CD2 3.55Å; F77-L287 HydrophobicContact CD1-CG 4.38Å; F77-L287 HydrophobicContact CE1-CD1 4.19Å; F77-L287 HydrophobicContact CE1-CD2 4.18Å; F77-L287 HydrophobicContact CG-CD2 4.07Å; L283-L287 HydrophobicContact CD1-CD1 4.09Å; L283-L287 HydrophobicContact CD1-CD2 4.29Å; L283-L287 HydrophobicContact CD1-CG 3.95Å; L283-L287 HydrophobicContact CG-CD1 3.95Å; L283-L287 HydrophobicContact CG-CG 4.23Å; L283-L287 WeakPolarHBondContact O-CG 3.46Å; L283-L287 PolarHBondContact O-N 3Å; Q284-L287 PolarHBondContact O-N 3.28Å; L287-V289 VanDerWaalsContact C-N 3.28Å; L287-V289 PolarHBondContact O-N 2.81Å; L287-C290 CarbonylContact O-C 3.58Å; L287-C290 WeakPolarHBondContact O-CA 3.33Å; L287-C290 WeakPolarHBondContact O-CB 3.31Å; L287-C290 PolarHBondContact O-N 3.18Å; L287-E291 WeakPolarHBondContact O-CG 3.42Å; L287-E291 PolarHBondContact O-N 2.75Å; L287-Y504 HydrophobicContact CD2-CD1 4.1Å
288E93.3Very high92.3Very high98 Ų9864.8 Ų64.846%0.45834%0.341SS..Hα-helixtrans-58.7-38.5172.2-73.9162-16600112.4Q284 K285 E291Q284-E288 WeakPolarHBondContact CG-OE1 3.08Å; Q284-E288 PolarHBondContact NE2-OE1 3.09Å; Q284-E288 WeakPolarHBondContact O-CG 3.41Å; Q284-E288 PolarHBondContact O-N 3.43Å; K285-E288 PolarHBondContact O-N 3.31Å; E288-E291 PolarHBondContact O-N 3.01Å
289V92.3Very high92Very high17 Ų1766.7 Ų66.710%0.10335%0.35CS..Hα-helixtrans-67.1-38173.31770000111.3K285 M286 L287 E291 L292 F300K285-V289 WeakPolarHBondContact O-CG2 3.4Å; K285-V289 PolarHBondContact O-N 2.74Å; M286-V289 WeakPolarHBondContact O-CB 3.3Å; M286-V289 PolarHBondContact O-N 2.88Å; L287-V289 VanDerWaalsContact C-N 3.28Å; L287-V289 PolarHBondContact O-N 2.81Å; V289-E291 PolarHBondContact O-N 2.89Å; V289-L292 HydrophobicContact CG1-CD1 4.35Å; V289-L292 WeakPolarHBondContact O-CB 3.19Å; V289-L292 WeakPolarHBondContact O-CG 3.47Å; V289-L292 PolarHBondContact O-N 3.23Å; V289-F300 HydrophobicContact CG1-CD2 3.62Å; V289-F300 HydrophobicContact CG1-CE2 3.92Å; V289-F300 HydrophobicContact CG1-CG 4.35Å
290C88.8Confident91.7Very high10 Ų1068.2 Ų68.27%0.06836%0.356CS..Hα-helixtrans-70.9-16.7174.2-56.60000113.2R17 M286 L287R17-C290 VanDerWaalsContact CZ-O 3.3Å; R17-C290 PolarHBondContact NH1-O 3.44Å; R17-C290 PolarHBondContact NH2-O 3.27Å; M286-C290 PolarHBondContact O-N 3.22Å; M286-C290 PolarHBondContact O-SG 2.8Å; L287-C290 CarbonylContact O-C 3.58Å; L287-C290 WeakPolarHBondContact O-CA 3.33Å; L287-C290 WeakPolarHBondContact O-CB 3.31Å; L287-C290 PolarHBondContact O-N 3.18Å
291E87.4Confident91.5Very high52 Ų5269.1 Ų69.124%0.24337%0.366CS..THydrogen-bonded Turntrans-86.6-7.6175.3-77.4-170.2-150.900113.8R73 I79 L287 E288 V289 K293R73-E291 WeakPolarHBondContact CD-OE1 3.41Å; R73-E291 IonicContact CZ-OE1 3.46Å; R73-E291 IonicContact CZ-OE2 2.6Å; R73-E291 IonicContact NE-OE1 3.95Å; R73-E291 PolarHBondContact NE-OE1 2.64Å; R73-E291 IonicContact NE-OE2 3.32Å; R73-E291 PolarHBondContact NE-OE2 3.5Å; R73-E291 IonicContact NH2-OE1 3.68Å; R73-E291 IonicContact NH2-OE2 3.17Å; R73-E291 PolarHBondContact NH2-OE2 2.68Å; I79-E291 VanDerWaalsContact CD1-CD 3.45Å; I79-E291 HydrophobicContact CD1-CG 3.36Å; I79-E291 VanDerWaalsContact CD1-OE1 3.27Å; I79-E291 WeakPolarHBondContact CD1-OE1 3.33Å; L287-E291 WeakPolarHBondContact O-CG 3.42Å; L287-E291 PolarHBondContact O-N 2.75Å; E288-E291 PolarHBondContact O-N 3.01Å; V289-E291 PolarHBondContact O-N 2.89Å; E291-K293 PolarHBondContact O-N 3.37Å
292L86.3Confident91.3Very high81 Ų8173.3 Ų73.342%0.42438%0.376SS..  trans-63.6129.6177.9-62.1175.5000111.2V289 P295V289-L292 HydrophobicContact CG1-CD1 4.35Å; V289-L292 WeakPolarHBondContact O-CB 3.19Å; V289-L292 WeakPolarHBondContact O-CG 3.47Å; V289-L292 PolarHBondContact O-N 3.23Å; L292-P295 HydrophobicContact CB-CB 4.02Å; L292-P295 HydrophobicContact CB-CG 3.9Å; L292-P295 HydrophobicContact CD1-CB 3.9Å; L292-P295 HydrophobicContact CD1-CG 4.45Å
293K79.3Confident91.1Very high183 Ų18373.5 Ų73.580%0.79638%0.379SS*.SBendtrans-72.6-30.3-172.5-66.5-177.9179.61770114.5E291E291-K293 PolarHBondContact O-N 3.37Å
294S79.9Confident91Very high110 Ų11073.4 Ų73.477%0.76938%0.378SS*.SBendtrans-164.360.6-178.460.40000110.8
295P84.9Confident90.9Very high49 Ų4975.9 Ų75.932%0.31839%0.389SS..  trans-65.715117730.6-34.8000110.6L292 D299 F300L292-P295 HydrophobicContact CB-CB 4.02Å; L292-P295 HydrophobicContact CB-CG 3.9Å; L292-P295 HydrophobicContact CD1-CB 3.9Å; L292-P295 HydrophobicContact CD1-CG 4.45Å; P295-D299 HydrophobicContact CB-CB 4.29Å; P295-F300 HydrophobicContact CB-CB 4.36Å; P295-F300 HydrophobicContact CG-CB 4.36Å
296S89.9Confident90.9Very high54 Ų5474.3 Ų74.338%0.37839%0.386SS..  trans-70162.1161.3780000109.8S298 D299 F300S296-S298 PolarHBondContact O-N 3.46Å; S296-S298 PolarHBondContact OG-N 2.81Å; S296-D299 WeakPolarHBondContact CB-OD2 3.47Å; S296-D299 PolarHBondContact N-OD2 2.92Å; S296-D299 VanDerWaalsContact N-OD2 3.08Å; S296-D299 PolarHBondContact O-N 3.32Å; S296-D299 PolarHBondContact OG-N 2.99Å; S296-D299 VanDerWaalsContact OG-N 3.15Å; S296-D299 PolarHBondContact OG-OD2 3.24Å; S296-F300 PolarHBondContact O-N 3.05Å
297M90.8Very high91Very high136 Ų13674.5 Ų74.567%0.6739%0.388SS*.Hα-helixtrans-58.8-37175.2-173.759.264.500111.3F300 L301M297-F300 PolarHBondContact O-N 3.43Å; M297-L301 HydrophobicContact CG-CD1 3.94Å; M297-L301 HydrophobicContact CG-CG 4.39Å; M297-L301 WeakPolarHBondContact O-CB 3.46Å; M297-L301 VanDerWaalsContact O-CG 3.26Å; M297-L301 WeakPolarHBondContact O-CG 3.47Å; M297-L301 PolarHBondContact O-N 2.94Å; M297-L301 HydrophobicContact SD-CD1 4.23Å; M297-L301 HydrophobicContact SD-CG 4.2Å
298S93.1Very high91.2Very high90 Ų9073.3 Ų73.363%0.62938%0.384SS*.Hα-helixtrans-64-46.1176.6-52.70000112S296 F300 L301 W302S296-S298 PolarHBondContact O-N 3.46Å; S296-S298 PolarHBondContact OG-N 2.81Å; S298-F300 VanDerWaalsContact C-N 3.34Å; S298-F300 PolarHBondContact O-N 2.97Å; S298-L301 PolarHBondContact O-N 2.83Å; S298-W302 WeakPolarHBondContact O-CB 3.48Å; S298-W302 PolarHBondContact O-N 2.81Å
299D92.5Very high91.4Very high89 Ų8968.6 Ų68.648%0.47636%0.362SS..Hα-helixtrans-64.8-40.2179-53-48.3000111.4P295 S296 G303P295-D299 HydrophobicContact CB-CB 4.29Å; S296-D299 WeakPolarHBondContact CB-OD2 3.47Å; S296-D299 PolarHBondContact N-OD2 2.92Å; S296-D299 VanDerWaalsContact N-OD2 3.08Å; S296-D299 PolarHBondContact O-N 3.32Å; S296-D299 PolarHBondContact OG-N 2.99Å; S296-D299 VanDerWaalsContact OG-N 3.15Å; S296-D299 PolarHBondContact OG-OD2 3.24Å; D299-G303 PolarHBondContact O-N 3.27Å
300F92.2Very high91.6Very high35 Ų3569.3 Ų69.315%0.15437%0.365CS..Hα-helixtrans-63.4-49.4177178.1-93.6000111.6V289 P295 S296 M297 S298 G303 L304 F499V289-F300 HydrophobicContact CG1-CD2 3.62Å; V289-F300 HydrophobicContact CG1-CE2 3.92Å; V289-F300 HydrophobicContact CG1-CG 4.35Å; P295-F300 HydrophobicContact CB-CB 4.36Å; P295-F300 HydrophobicContact CG-CB 4.36Å; S296-F300 PolarHBondContact O-N 3.05Å; M297-F300 PolarHBondContact O-N 3.43Å; S298-F300 VanDerWaalsContact C-N 3.34Å; S298-F300 PolarHBondContact O-N 2.97Å; F300-G303 PolarHBondContact O-N 3.16Å; F300-L304 HydrophobicContact CE1-CD2 4.14Å; F300-L304 VanDerWaalsContact O-CB 3.27Å; F300-L304 WeakPolarHBondContact O-CB 3.47Å; F300-L304 PolarHBondContact O-N 3.3Å; F300-F499 HydrophobicContact CE1-CD1 4.49Å; F300-F499 AromaticContact CZ-CD1 3.88Å; F300-F499 HydrophobicContact CZ-CD1 3.88Å; F300-F499 HydrophobicContact CZ-CD2 4.49Å; F300-F499 AromaticContact CZ-CE1 3.89Å; F300-F499 HydrophobicContact CZ-CE1 3.89Å; F300-F499 HydrophobicContact CZ-CG 4.18Å; F300-F499 HydrophobicContact CZ-CZ 4.21Å
301L93.1Very high91.9Very high94 Ų9476.8 Ų76.849%0.49239%0.392SS..Hα-helixtrans-64.9-43179.7-69.9173.1000111.9M297 S298 L304 E305M297-L301 HydrophobicContact CG-CD1 3.94Å; M297-L301 HydrophobicContact CG-CG 4.39Å; M297-L301 WeakPolarHBondContact O-CB 3.46Å; M297-L301 VanDerWaalsContact O-CG 3.26Å; M297-L301 WeakPolarHBondContact O-CG 3.47Å; M297-L301 PolarHBondContact O-N 2.94Å; M297-L301 HydrophobicContact SD-CD1 4.23Å; M297-L301 HydrophobicContact SD-CG 4.2Å; S298-L301 PolarHBondContact O-N 2.83Å; L301-L304 PolarHBondContact O-N 3.25Å; L301-E305 WeakPolarHBondContact O-CB 3.39Å; L301-E305 PolarHBondContact O-N 2.89Å
302W94.4Very high92.4Very high175 Ų17574.7 Ų74.766%0.66338%0.382SS*.Hα-helixtrans-64.3-41.4176.7-17787.9000112.1S298 N306S298-W302 WeakPolarHBondContact O-CB 3.48Å; S298-W302 PolarHBondContact O-N 2.81Å; W302-N306 WeakPolarHBondContact CZ2-ND2 3.26Å; W302-N306 PolarHBondContact NE1-ND2 2.97Å; W302-N306 WeakPolarHBondContact O-CB 3.38Å; W302-N306 PolarHBondContact O-N 3.3Å; W302-N306 PolarHBondContact O-ND2 3.05Å
303G95.4Very high92.9Very high9 Ų970.9 Ų70.99%0.09336%0.362CS..Hα-helixtrans-64-44.4173.800000112.4D299 F300 N306 S307D299-G303 PolarHBondContact O-N 3.27Å; F300-G303 PolarHBondContact O-N 3.16Å; G303-N306 PolarHBondContact O-N 3.09Å; G303-S307 PolarHBondContact O-N 3.1Å
304L94.3Very high93.7Very high15 Ų1566.1 Ų66.18%0.07934%0.341CS..Hα-helixtrans-61.9-43.5177.2177.862.7000111.6M286 F300 L301 S307 L310 F499M286-L304 HydrophobicContact CG-CD1 3.99Å; M286-L304 HydrophobicContact SD-CD1 4.32Å; F300-L304 HydrophobicContact CE1-CD2 4.14Å; F300-L304 VanDerWaalsContact O-CB 3.27Å; F300-L304 WeakPolarHBondContact O-CB 3.47Å; F300-L304 PolarHBondContact O-N 3.3Å; L301-L304 PolarHBondContact O-N 3.25Å; L304-S307 WeakPolarHBondContact O-CB 3.39Å; L304-S307 PolarHBondContact O-N 3.45Å; L304-S307 PolarHBondContact O-OG 2.93Å; L304-L310 HydrophobicContact CD1-CD1 4.47Å; L304-L310 HydrophobicContact CD1-CG 4.49Å; L304-L310 HydrophobicContact CD2-CD1 4.01Å; L304-L310 HydrophobicContact CG-CD1 4.3Å; L304-F499 HydrophobicContact CD1-CD2 3.78Å; L304-F499 HydrophobicContact CD1-CE2 4.32Å; L304-F499 HydrophobicContact CD2-CB 3.91Å; L304-F499 HydrophobicContact CD2-CD2 4.19Å; L304-F499 HydrophobicContact CD2-CG 4.27Å
305E95Very high94.5Very high150 Ų15061.8 Ų61.870%0.70131%0.312SS*.Hα-helixtrans-60.9-48.5174.3-176.3172.5-156.700111.4L301 S307 G308L301-E305 WeakPolarHBondContact O-CB 3.39Å; L301-E305 PolarHBondContact O-N 2.89Å; E305-S307 VanDerWaalsContact C-N 3.25Å; E305-S307 PolarHBondContact O-N 3.06Å; E305-G308 WeakPolarHBondContact O-CA 3.38Å; E305-G308 PolarHBondContact O-N 2.82Å
306N96.9Very high95.1Very high78 Ų7859.5 Ų59.542%0.41730%0.297SS..Hα-helixtrans-70.2-15.4179.7-76.6-45.9000115.1W302 G303W302-N306 WeakPolarHBondContact CZ2-ND2 3.26Å; W302-N306 PolarHBondContact NE1-ND2 2.97Å; W302-N306 WeakPolarHBondContact O-CB 3.38Å; W302-N306 PolarHBondContact O-N 3.3Å; W302-N306 PolarHBondContact O-ND2 3.05Å; G303-N306 PolarHBondContact O-N 3.09Å
307S97.6Very high95.4Very high5 Ų556.9 Ų56.94%0.03528%0.279CS..Hα-helixtrans-65.7-28.616681.70000111.7S282 G303 L304 E305 W309S282-S307 WeakPolarHBondContact CA-O 3.41Å; S282-S307 VanDerWaalsContact CB-O 3.3Å; S282-S307 WeakPolarHBondContact CB-O 3.41Å; S282-S307 PolarHBondContact OG-O 3.47Å; G303-S307 PolarHBondContact O-N 3.1Å; L304-S307 WeakPolarHBondContact O-CB 3.39Å; L304-S307 PolarHBondContact O-N 3.45Å; L304-S307 PolarHBondContact O-OG 2.93Å; E305-S307 VanDerWaalsContact C-N 3.25Å; E305-S307 PolarHBondContact O-N 3.06Å; S307-W309 PolarHBondContact O-N 3.38Å; S307-W309 WeakPolarHBondContact OG-CB 3.31Å; S307-W309 PolarHBondContact OG-N 2.84Å; S307-W309 VanDerWaalsContact OG-N 3.09Å
308G97.2Very high95.6Very high9 Ų953.3 Ų53.39%0.09326%0.263CS..  trans70.51.3-172.600000114.7E305 L310 R311 H312E305-G308 WeakPolarHBondContact O-CA 3.38Å; E305-G308 PolarHBondContact O-N 2.82Å; G308-L310 PolarHBondContact O-N 3.41Å; G308-R311 VanDerWaalsContact O-CB 3.32Å; G308-R311 WeakPolarHBondContact O-CB 3.27Å; G308-R311 PolarHBondContact O-N 2.77Å; G308-R311 VanDerWaalsContact O-N 3.11Å; G308-H312 PolarHBondContact O-CD2 2.73Å; G308-H312 PolarHBondContact O-N 3.25Å; G308-H312 VanDerWaalsContact O-N 3.07Å
309W97.8Very high95.8Very high0 Ų049 Ų490%023%0.233CC..Hα-helixtrans-58.6-55.7-168.3-177.6-104.5000112.8S282 L283 M286 S307 R311 H312 I313 P397 Q401 E404 Y504S282-W309 VanDerWaalsContact OG-CA 3.27Å; S282-W309 WeakPolarHBondContact OG-CA 3.18Å; S282-W309 PolarHBondContact OG-N 3.15Å; L283-W309 HydrophobicContact CB-CE3 4.08Å; L283-W309 HydrophobicContact CB-CH2 4.27Å; L283-W309 HydrophobicContact CB-CZ3 3.68Å; L283-W309 HydrophobicContact CD1-CH2 4.29Å; L283-W309 HydrophobicContact CD1-CZ3 4.38Å; M286-W309 HydrophobicContact CB-CB 4.35Å; M286-W309 HydrophobicContact CE-CG 4.47Å; M286-W309 HydrophobicContact CG-CB 4.46Å; M286-W309 HydrophobicContact SD-CB 3.83Å; M286-W309 HydrophobicContact SD-CD2 4.18Å; M286-W309 HydrophobicContact SD-CG 3.49Å; S307-W309 PolarHBondContact O-N 3.38Å; S307-W309 WeakPolarHBondContact OG-CB 3.31Å; S307-W309 PolarHBondContact OG-N 2.84Å; S307-W309 VanDerWaalsContact OG-N 3.09Å; W309-R311 PolarHBondContact O-N 3.17Å; W309-H312 WeakPolarHBondContact O-CA 3.47Å; W309-H312 WeakPolarHBondContact O-CB 3.25Å; W309-H312 PolarHBondContact O-N 3.42Å; W309-I313 HydrophobicContact CZ2-CD1 4.19Å; W309-I313 PolarHBondContact O-N 2.92Å; W309-P397 HydrophobicContact CH2-CB 4.14Å; W309-P397 HydrophobicContact CH2-CG 3.8Å; W309-P397 HydrophobicContact CZ3-CG 3.84Å; W309-Q401 HydrophobicContact CH2-CG 3.29Å; W309-Q401 HydrophobicContact CZ2-CG 3.74Å; W309-Q401 HydrophobicContact CZ3-CG 3.83Å; W309-E404 PolarHBondContact NE1-OE2 3.38Å; W309-Y504 VanDerWaalsContact CZ2-OH 3.27Å; W309-Y504 WeakPolarHBondContact CZ2-OH 3.35Å; W309-Y504 PolarHBondContact NE1-OH 2.99Å
310L96Very high96Very high32 Ų3244.8 Ų44.817%0.16821%0.21CC..Hα-helixtrans-61.8-27.7178.4-62.9-179.4000112.9L304 G308 K314 E404 K498L304-L310 HydrophobicContact CD1-CD1 4.47Å; L304-L310 HydrophobicContact CD1-CG 4.49Å; L304-L310 HydrophobicContact CD2-CD1 4.01Å; L304-L310 HydrophobicContact CG-CD1 4.3Å; G308-L310 PolarHBondContact O-N 3.41Å; L310-K314 WeakPolarHBondContact O-CB 3.37Å; L310-K314 PolarHBondContact O-N 2.85Å; L310-E404 WeakPolarHBondContact CD2-OE1 3.41Å; L310-K498 WeakPolarHBondContact CD2-O 3.16Å
311R95.7Very high96.2Very high166 Ų16644.5 Ų44.563%0.62621%0.21SC*.Hα-helixtrans-68.4-35.7173-175.6-171.866.6165.11.8111.5G308 W309 A315G308-R311 VanDerWaalsContact O-CB 3.32Å; G308-R311 WeakPolarHBondContact O-CB 3.27Å; G308-R311 PolarHBondContact O-N 2.77Å; G308-R311 VanDerWaalsContact O-N 3.11Å; W309-R311 PolarHBondContact O-N 3.17Å; R311-A315 PolarHBondContact O-N 3.13Å
312H97.6Very high96.4Very high9 Ų942.6 Ų42.64%0.04220%0.198CC..Hα-helixtrans-73.7-39.5174.9-65.2-58.6000112.2M279 G308 W309 K314 A315 I316M279-H312 HydrophobicContact CE-CB 4.12Å; M279-H312 HydrophobicContact SD-CB 3.72Å; M279-H312 VanDerWaalsContact SD-CG 3.53Å; G308-H312 PolarHBondContact O-CD2 2.73Å; G308-H312 PolarHBondContact O-N 3.25Å; G308-H312 VanDerWaalsContact O-N 3.07Å; W309-H312 WeakPolarHBondContact O-CA 3.47Å; W309-H312 WeakPolarHBondContact O-CB 3.25Å; W309-H312 PolarHBondContact O-N 3.42Å; H312-K314 VanDerWaalsContact C-N 3.31Å; H312-K314 PolarHBondContact O-N 2.79Å; H312-A315 PolarHBondContact O-N 2.99Å; H312-I316 WeakPolarHBondContact O-CG1 3.49Å; H312-I316 PolarHBondContact O-N 3.4Å; H312-I316 VanDerWaalsContact O-N 3.15Å
313I97.7Very high96.6Very high0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-57.2-45.7169.2-58.9-57.8000110.5W309 A315 I316 M317 Q401 E404 Q408 Y497W309-I313 HydrophobicContact CZ2-CD1 4.19Å; W309-I313 PolarHBondContact O-N 2.92Å; I313-A315 PolarHBondContact O-N 2.77Å; I313-I316 PolarHBondContact O-N 3.35Å; I313-M317 WeakPolarHBondContact O-CB 3.45Å; I313-M317 PolarHBondContact O-N 2.9Å; I313-Q401 HydrophobicContact CD1-CB 3.81Å; I313-Q401 HydrophobicContact CD1-CG 3.87Å; I313-E404 HydrophobicContact CD1-CB 4.08Å; I313-E404 HydrophobicContact CD1-CG 4.25Å; I313-E404 HydrophobicContact CG1-CG 4.4Å; I313-E404 HydrophobicContact CG2-CG 4.45Å; I313-Q408 HydrophobicContact CG2-CG 4.03Å; I313-Y497 HydrophobicContact CG2-CD1 4.07Å; I313-Y497 HydrophobicContact CG2-CE1 4.15Å
314K95.1Very high96.7Very high84 Ų8434 Ų3437%0.36516%0.163SC..Hα-helixtrans-57.2-47.2174.1-179178.8-163.4-38.60112.9L310 H312 I316 M317 D318 Y497L310-K314 WeakPolarHBondContact O-CB 3.37Å; L310-K314 PolarHBondContact O-N 2.85Å; H312-K314 VanDerWaalsContact C-N 3.31Å; H312-K314 PolarHBondContact O-N 2.79Å; K314-I316 VanDerWaalsContact C-N 3.29Å; K314-I316 PolarHBondContact O-N 3.02Å; K314-M317 PolarHBondContact O-N 3.26Å; K314-M317 VanDerWaalsContact O-N 3.17Å; K314-D318 IonicContact NZ-OD1 3.79Å; K314-D318 PolarHBondContact NZ-OD1 3.23Å; K314-D318 IonicContact NZ-OD2 3.91Å; K314-D318 PolarHBondContact NZ-OD2 2.73Å; K314-D318 WeakPolarHBondContact O-CB 3.47Å; K314-D318 PolarHBondContact O-N 3.05Å; K314-Y497 VanDerWaalsContact CA-CE1 3.48Å; K314-Y497 VanDerWaalsContact CA-CZ 3.49Å; K314-Y497 HydrophobicContact CB-CD1 4.33Å; K314-Y497 HydrophobicContact CB-CD2 4.23Å; K314-Y497 HydrophobicContact CB-CE1 3.83Å; K314-Y497 HydrophobicContact CB-CE2 3.72Å; K314-Y497 HydrophobicContact CD-CD2 4.45Å; K314-Y497 HydrophobicContact CD-CE2 3.85Å; K314-Y497 HydrophobicContact CG-CD2 4.39Å; K314-Y497 HydrophobicContact CG-CE1 4.38Å; K314-Y497 HydrophobicContact CG-CE2 3.55Å
315A96.4Very high96.9Very high19 Ų1936 Ų3616%0.15717%0.171CC..Hα-helixtrans-62.2-36-17900000112.8I273 R311 H312 I313 A319I273-A315 HydrophobicContact CG1-CB 4.16Å; R311-A315 PolarHBondContact O-N 3.13Å; H312-A315 PolarHBondContact O-N 2.99Å; I313-A315 PolarHBondContact O-N 2.77Å; A315-A319 WeakPolarHBondContact O-CB 3.37Å; A315-A319 PolarHBondContact O-N 3.23Å
316I98.2Very high97Very high0 Ų028.9 Ų28.90%014%0.138CC..Hα-helixtrans-68.8-43174.3-63.9159.9000110.7I273 H312 I313 K314 A319 G320 Q347 V348 V351 Q401I273-I316 HydrophobicContact CD1-CB 4.5Å; I273-I316 HydrophobicContact CD1-CG1 4.03Å; I273-I316 HydrophobicContact CG2-CG1 4.12Å; H312-I316 WeakPolarHBondContact O-CG1 3.49Å; H312-I316 PolarHBondContact O-N 3.4Å; H312-I316 VanDerWaalsContact O-N 3.15Å; I313-I316 PolarHBondContact O-N 3.35Å; K314-I316 VanDerWaalsContact C-N 3.29Å; K314-I316 PolarHBondContact O-N 3.02Å; I316-A319 WeakPolarHBondContact O-CB 3.48Å; I316-A319 PolarHBondContact O-N 3.06Å; I316-G320 PolarHBondContact O-N 3.37Å; I316-G320 VanDerWaalsContact O-N 3.1Å; I316-Q347 HydrophobicContact CG2-CB 3.94Å; I316-V348 HydrophobicContact CG2-CG2 4.45Å; I316-V351 HydrophobicContact CG2-CG2 4.26Å; I316-Q401 HydrophobicContact CD1-CB 3.79Å; I316-Q401 HydrophobicContact CD1-CG 4.38Å
317M95.9Very high97.1Very high0 Ų025.1 Ų25.10%012%0.118CC..Hα-helixtrans-64.4-47.9178.5-170.25865.800112I313 K314 A319 G320 I321 V351 C405 L409 L488 F495 Y497I313-M317 WeakPolarHBondContact O-CB 3.45Å; I313-M317 PolarHBondContact O-N 2.9Å; K314-M317 PolarHBondContact O-N 3.26Å; K314-M317 VanDerWaalsContact O-N 3.17Å; M317-A319 VanDerWaalsContact C-N 3.26Å; M317-A319 PolarHBondContact O-N 2.88Å; M317-G320 PolarHBondContact O-N 3.26Å; M317-G320 VanDerWaalsContact O-N 3.1Å; M317-I321 HydrophobicContact CG-CD1 4.02Å; M317-I321 VanDerWaalsContact O-CG1 3.29Å; M317-I321 WeakPolarHBondContact O-CG1 3.42Å; M317-I321 PolarHBondContact O-N 3.22Å; M317-V351 HydrophobicContact CE-CG1 4.4Å; M317-V351 HydrophobicContact SD-CG1 3.83Å; M317-C405 HydrophobicContact CE-CB 3.59Å; M317-C405 WeakPolarHBondContact CE-O 3.27Å; M317-L409 HydrophobicContact CE-CD1 4.15Å; M317-L409 HydrophobicContact CE-CD2 3.99Å; M317-L409 HydrophobicContact CE-CG 3.7Å; M317-L409 HydrophobicContact SD-CD1 4.37Å; M317-L409 HydrophobicContact SD-CD2 3.75Å; M317-L409 HydrophobicContact SD-CG 4.08Å; M317-L488 HydrophobicContact SD-CD1 4.41Å; M317-F495 HydrophobicContact CG-CZ 4.43Å; M317-Y497 HydrophobicContact CB-CE1 4.21Å; M317-Y497 WeakPolarHBondContact CB-OH 3.27Å; M317-Y497 HydrophobicContact CG-CE1 4.5Å; M317-Y497 WeakPolarHBondContact CG-OH 3.4Å
318D95.1Very high97Very high61 Ų6126.2 Ų26.233%0.32613%0.125SC..Hα-helixtrans-55.6-40.7175.7-69-14.9000111.3K314 I321 F322K314-D318 IonicContact NZ-OD1 3.79Å; K314-D318 PolarHBondContact NZ-OD1 3.23Å; K314-D318 IonicContact NZ-OD2 3.91Å; K314-D318 PolarHBondContact NZ-OD2 2.73Å; K314-D318 WeakPolarHBondContact O-CB 3.47Å; K314-D318 PolarHBondContact O-N 3.05Å; D318-I321 PolarHBondContact O-N 3.1Å; D318-F322 WeakPolarHBondContact O-CB 3.26Å; D318-F322 PolarHBondContact O-N 3.17Å
319A97.6Very high96.9Very high0 Ų030.8 Ų30.80%014%0.144CC..Hα-helixtrans-62.7-46.1175.300000112.3I271 I273 A315 I316 M317 F322 I323 V348I271-A319 HydrophobicContact CB-CB 4.37Å; I271-A319 HydrophobicContact CG1-CB 4.34Å; I271-A319 HydrophobicContact CG2-CB 3.62Å; I273-A319 HydrophobicContact CD1-CB 4.02Å; A315-A319 WeakPolarHBondContact O-CB 3.37Å; A315-A319 PolarHBondContact O-N 3.23Å; I316-A319 WeakPolarHBondContact O-CB 3.48Å; I316-A319 PolarHBondContact O-N 3.06Å; M317-A319 VanDerWaalsContact C-N 3.26Å; M317-A319 PolarHBondContact O-N 2.88Å; A319-F322 PolarHBondContact O-N 3.4Å; A319-I323 WeakPolarHBondContact O-CG1 3.45Å; A319-I323 PolarHBondContact O-N 2.99Å; A319-I323 VanDerWaalsContact O-N 3.13Å; A319-V348 HydrophobicContact CB-CB 4.33Å; A319-V348 HydrophobicContact CB-CG1 3.72Å; A319-V348 HydrophobicContact CB-CG2 3.62Å
320G97.7Very high96.9Very high0 Ų035.2 Ų35.20%017%0.165CC..Hα-helixtrans-62.9-4217700000112.3I316 M317 I323 A324I316-G320 PolarHBondContact O-N 3.37Å; I316-G320 VanDerWaalsContact O-N 3.1Å; M317-G320 PolarHBondContact O-N 3.26Å; M317-G320 VanDerWaalsContact O-N 3.1Å; G320-I323 PolarHBondContact O-N 3.01Å; G320-A324 VanDerWaalsContact O-CB 3.31Å; G320-A324 WeakPolarHBondContact O-CB 3.43Å; G320-A324 PolarHBondContact O-N 2.89Å
321I96.1Very high97Very high29 Ų2934.3 Ų34.315%0.14916%0.163CC..Hα-helixtrans-60.5-49.4174.3-65.9163.4000110.6M317 D318 I323 A324 K325 L355 L488M317-I321 HydrophobicContact CG-CD1 4.02Å; M317-I321 VanDerWaalsContact O-CG1 3.29Å; M317-I321 WeakPolarHBondContact O-CG1 3.42Å; M317-I321 PolarHBondContact O-N 3.22Å; D318-I321 PolarHBondContact O-N 3.1Å; I321-I323 VanDerWaalsContact C-N 3.31Å; I321-I323 PolarHBondContact O-N 3.34Å; I321-A324 PolarHBondContact O-N 2.98Å; I321-K325 HydrophobicContact CG2-CD 4.3Å; I321-K325 HydrophobicContact CG2-CG 4.42Å; I321-K325 WeakPolarHBondContact O-CG 3.21Å; I321-K325 PolarHBondContact O-N 3.41Å; I321-L355 HydrophobicContact CG1-CD1 4.13Å; I321-L488 HydrophobicContact CD1-CB 4.23Å; I321-L488 HydrophobicContact CD1-CD1 3.76Å; I321-L488 HydrophobicContact CG1-CB 4.45Å; I321-L488 HydrophobicContact CG1-CD1 3.57Å
322F97.3Very high97.1Very high54 Ų5426.4 Ų26.424%0.23713%0.133CC..Hα-helixtrans-56.1-46.6-179.9174.4-95.9000111.6Y237 V239 Q269 I271 D318 A319 K325 A326Y237-F322 HydrophobicContact CD1-CZ 4.11Å; Y237-F322 HydrophobicContact CE1-CZ 4.11Å; V239-F322 HydrophobicContact CG2-CD1 4.18Å; V239-F322 HydrophobicContact CG2-CE1 3.74Å; Q269-F322 HydrophobicContact CB-CE1 4.36Å; Q269-F322 HydrophobicContact CB-CZ 4.29Å; Q269-F322 HydrophobicContact CG-CE1 4.15Å; Q269-F322 HydrophobicContact CG-CE2 4.48Å; Q269-F322 HydrophobicContact CG-CZ 4.01Å; I271-F322 HydrophobicContact CD1-CD1 4.29Å; I271-F322 HydrophobicContact CD1-CG 4.44Å; D318-F322 WeakPolarHBondContact O-CB 3.26Å; D318-F322 PolarHBondContact O-N 3.17Å; A319-F322 PolarHBondContact O-N 3.4Å; F322-K325 PolarHBondContact O-N 3.48Å; F322-A326 WeakPolarHBondContact O-CB 3.46Å; F322-A326 PolarHBondContact O-N 2.99Å
323I98.5Very high97.1Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-70.1-40.9-179.5-64.3165.8000111.3I202 V239 A319 G320 I321 K325 A326 V327 V334 V336 V348 A352I202-I323 HydrophobicContact CD1-CG2 3.73Å; I202-I323 HydrophobicContact CG1-CG2 3.92Å; I202-I323 HydrophobicContact CG2-CG2 4.46Å; V239-I323 HydrophobicContact CG1-CD1 4.4Å; V239-I323 HydrophobicContact CG2-CG1 4.39Å; A319-I323 WeakPolarHBondContact O-CG1 3.45Å; A319-I323 PolarHBondContact O-N 2.99Å; A319-I323 VanDerWaalsContact O-N 3.13Å; G320-I323 PolarHBondContact O-N 3.01Å; I321-I323 VanDerWaalsContact C-N 3.31Å; I321-I323 PolarHBondContact O-N 3.34Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.88Å; I323-A326 PolarHBondContact O-N 2.92Å; I323-V327 HydrophobicContact CG2-CG2 4.41Å; I323-V327 WeakPolarHBondContact O-CB 3.28Å; I323-V327 WeakPolarHBondContact O-CG2 3.46Å; I323-V327 PolarHBondContact O-N 3.49Å; I323-V334 HydrophobicContact CG1-CG1 4.22Å; I323-V334 HydrophobicContact CG2-CB 4.31Å; I323-V334 HydrophobicContact CG2-CG1 4.37Å; I323-V334 HydrophobicContact CG2-CG2 4.2Å; I323-V336 HydrophobicContact CD1-CG1 4.32Å; I323-V336 HydrophobicContact CD1-CG2 3.65Å; I323-V348 HydrophobicContact CD1-CG1 3.18Å; I323-A352 HydrophobicContact CB-CB 3.92Å; I323-A352 HydrophobicContact CG2-CB 3.7Å
324A97.9Very high97.2Very high4 Ų426 Ų263%0.03313%0.131CC..Hα-helixtrans-58.4-45.9175.400000110.8G320 I321 V327 S328 L355 L356G320-A324 VanDerWaalsContact O-CB 3.31Å; G320-A324 WeakPolarHBondContact O-CB 3.43Å; G320-A324 PolarHBondContact O-N 2.89Å; I321-A324 PolarHBondContact O-N 2.98Å; A324-V327 PolarHBondContact O-N 3.43Å; A324-S328 PolarHBondContact O-N 2.83Å; A324-S328 PolarHBondContact O-OG 3.04Å; A324-L355 HydrophobicContact CB-CB 3.86Å; A324-L355 HydrophobicContact CB-CD1 3.97Å; A324-L356 HydrophobicContact CB-CD2 4.23Å; A324-L356 HydrophobicContact CB-CG 4.1Å
325K96.7Very high97.4Very high56 Ų5622 Ų2224%0.24311%0.114CC..Hα-helixtrans-63.6-45.3175.3-68.6-168.2171-169.20113I321 F322 I323 V327 S328 E329 E330 T490I321-K325 HydrophobicContact CG2-CD 4.3Å; I321-K325 HydrophobicContact CG2-CG 4.42Å; I321-K325 WeakPolarHBondContact O-CG 3.21Å; I321-K325 PolarHBondContact O-N 3.41Å; F322-K325 PolarHBondContact O-N 3.48Å; I323-K325 VanDerWaalsContact C-N 3.32Å; I323-K325 PolarHBondContact O-N 2.88Å; K325-V327 PolarHBondContact O-N 2.89Å; K325-S328 PolarHBondContact O-N 3.47Å; K325-E329 HydrophobicContact CB-CG 4.48Å; K325-E329 WeakPolarHBondContact CD-OE2 3.47Å; K325-E329 HydrophobicContact CG-CG 4.5Å; K325-E329 WeakPolarHBondContact O-CA 3.41Å; K325-E329 VanDerWaalsContact O-CB 3.32Å; K325-E329 WeakPolarHBondContact O-CB 3.17Å; K325-E329 PolarHBondContact O-N 3.4Å; K325-E330 PolarHBondContact O-N 3.3Å; K325-E330 VanDerWaalsContact O-N 3.1Å; K325-T490 PolarHBondContact NZ-OG1 3.15Å
326A97.9Very high97.5Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-57-38176.500000112.2Y237 F322 I323 E330 G331 A332 V334Y237-A326 HydrophobicContact CD2-CB 3.68Å; Y237-A326 HydrophobicContact CE2-CB 3.83Å; F322-A326 WeakPolarHBondContact O-CB 3.46Å; F322-A326 PolarHBondContact O-N 2.99Å; I323-A326 PolarHBondContact O-N 2.92Å; A326-E330 WeakPolarHBondContact O-CB 3.39Å; A326-G331 PolarHBondContact O-N 2.74Å; A326-A332 PolarHBondContact O-N 2.95Å; A326-V334 HydrophobicContact CB-CG2 3.84Å
327V98.3Very high97.5Very high0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-78.5-48.3179.6171.30000112.8Y195 N198 A200 I202 I323 A324 K325 G331 V334 L356Y195-V327 HydrophobicContact CD1-CG1 4.45Å; Y195-V327 HydrophobicContact CD2-CG1 4.27Å; Y195-V327 HydrophobicContact CG-CG1 3.86Å; N198-V327 PolarHBondContact ND2-O 3.17Å; A200-V327 HydrophobicContact CB-CG1 3.99Å; I202-V327 HydrophobicContact CD1-CG2 4.45Å; I202-V327 HydrophobicContact CG1-CG2 3.82Å; I323-V327 HydrophobicContact CG2-CG2 4.41Å; I323-V327 WeakPolarHBondContact O-CB 3.28Å; I323-V327 WeakPolarHBondContact O-CG2 3.46Å; I323-V327 PolarHBondContact O-N 3.49Å; A324-V327 PolarHBondContact O-N 3.43Å; K325-V327 PolarHBondContact O-N 2.89Å; V327-G331 WeakPolarHBondContact O-CA 3.22Å; V327-V334 HydrophobicContact CG2-CG2 3.96Å; V327-L356 HydrophobicContact CB-CD1 4.03Å; V327-L356 HydrophobicContact CB-CD2 4.32Å; V327-L356 HydrophobicContact CG1-CD1 3.81Å; V327-L356 HydrophobicContact CG1-CD2 4.12Å; V327-L356 HydrophobicContact CG2-CD1 4.47Å
328S96.6Very high97.5Very high27 Ų2721.2 Ų21.219%0.18911%0.107CC..Hα-helixtrans-91.8-36.8-172.763.60000114.6A324 K325A324-S328 PolarHBondContact O-N 2.83Å; A324-S328 PolarHBondContact O-OG 3.04Å; K325-S328 PolarHBondContact O-N 3.47Å
329E95.2Very high97.5Very high105 Ų10518.3 Ų18.349%0.4919%0.092SC..THydrogen-bonded Turntrans-91.9-43.1-176.5-58.2176.8-172.500111.5K325 H487K325-E329 HydrophobicContact CB-CG 4.48Å; K325-E329 WeakPolarHBondContact CD-OE2 3.47Å; K325-E329 HydrophobicContact CG-CG 4.5Å; K325-E329 WeakPolarHBondContact O-CA 3.41Å; K325-E329 VanDerWaalsContact O-CB 3.32Å; K325-E329 WeakPolarHBondContact O-CB 3.17Å; K325-E329 PolarHBondContact O-N 3.4Å; E329-H487 IonicContact OE1-CE1 2.6Å; E329-H487 PolarHBondContact OE1-CE1 2.74Å; E329-H487 IonicContact OE1-ND1 3.88Å; E329-H487 PolarHBondContact OE1-ND1 3.3Å
330E96.9Very high97.3Very high94 Ų9419.4 Ų19.444%0.43910%0.098SC..SBendtrans-91.3-13.5178.2-67.4-176.8-129.900114.3Y237 K325 A326 A332Y237-E330 WeakPolarHBondContact CE2-OE2 3.25Å; Y237-E330 PolarHBondContact OH-OE1 3.37Å; Y237-E330 PolarHBondContact OH-OE2 3.1Å; K325-E330 PolarHBondContact O-N 3.3Å; K325-E330 VanDerWaalsContact O-N 3.1Å; A326-E330 WeakPolarHBondContact O-CB 3.39Å; E330-A332 HydrophobicContact CB-CB 4.38Å; E330-A332 PolarHBondContact O-N 3.01Å
331G97.9Very high97.2Very high12 Ų1219.4 Ų19.412%0.12410%0.098CC..  trans64.418.3-17600000114.6N230 A326 V327N230-G331 PolarHBondContact ND2-O 3.17Å; A326-G331 PolarHBondContact O-N 2.74Å; V327-G331 WeakPolarHBondContact O-CA 3.22Å
332A98.3Very high97.3Very high0 Ų018.5 Ų18.50%09%0.093CC..  trans-92.5139.1-176.700000111.8F235 Y237 A326 E330F235-A332 HydrophobicContact CD2-CB 4.49Å; F235-A332 HydrophobicContact CE2-CB 3.66Å; F235-A332 HydrophobicContact CZ-CB 3.84Å; Y237-A332 HydrophobicContact CD2-CB 3.88Å; Y237-A332 HydrophobicContact CE2-CB 3.97Å; A326-A332 PolarHBondContact O-N 2.95Å; E330-A332 HydrophobicContact CB-CB 4.38Å; E330-A332 PolarHBondContact O-N 3.01Å
333S98.7Very high97.4Very high0 Ų016.4 Ų16.40%08%0.084CC..EExtended strand (participates in β ladder)trans-73.6151.5168.9-67.80000110.8S201 N230 V236 Y237S201-S333 PolarHBondContact N-OG 2.65Å; S201-S333 VanDerWaalsContact N-OG 3.11Å; S201-S333 WeakPolarHBondContact O-CA 3.38Å; S201-S333 WeakPolarHBondContact OG-CB 3.48Å; S201-S333 PolarHBondContact OG-OG 2.93Å; S201-S333 VanDerWaalsContact OG-OG 3.04Å; N230-S333 WeakPolarHBondContact CB-OG 3.44Å; N230-S333 PolarHBondContact ND2-N 3.49Å; N230-S333 PolarHBondContact ND2-OG 3.06Å; V236-S333 WeakPolarHBondContact CA-O 3.48Å; V236-S333 VanDerWaalsContact CG2-O 3.32Å; V236-S333 WeakPolarHBondContact CG2-O 3.37Å; Y237-S333 PolarHBondContact N-O 3Å
334V98.9Very high97.4Very high0 Ų016.9 Ų16.90%09%0.085CC..EExtended strand (participates in β ladder)trans-130.8130.8-176.9-170.10000110.5S201 C203 Y237 V239 I323 A326 V327 V336S201-V334 PolarHBondContact O-N 3.41Å; C203-V334 PolarHBondContact N-O 2.87Å; Y237-V334 CarbonylContact O-C 3.51Å; Y237-V334 WeakPolarHBondContact O-CA 3.4Å; V239-V334 HydrophobicContact CB-CG1 4.28Å; V239-V334 HydrophobicContact CG2-CG1 3.57Å; I323-V334 HydrophobicContact CG1-CG1 4.22Å; I323-V334 HydrophobicContact CG2-CB 4.31Å; I323-V334 HydrophobicContact CG2-CG1 4.37Å; I323-V334 HydrophobicContact CG2-CG2 4.2Å; A326-V334 HydrophobicContact CB-CG2 3.84Å; V327-V334 HydrophobicContact CG2-CG2 3.96Å; V334-V336 HydrophobicContact CG1-CG2 4Å
335L98.9Very high97.4Very high0 Ų016.7 Ų16.70%08%0.084CC..EExtended strand (participates in β ladder)trans-99.8119.3164.7178.161.8000109.3P189 C203 L223 Y237 V239P189-L335 HydrophobicContact CB-CD1 3.88Å; P189-L335 HydrophobicContact CB-CD2 4.44Å; P189-L335 HydrophobicContact CG-CD1 4.3Å; P189-L335 HydrophobicContact CG-CD2 4.14Å; C203-L335 HydrophobicContact CB-CD1 3.74Å; L223-L335 HydrophobicContact CD1-CD2 3.85Å; L223-L335 HydrophobicContact CD2-CD2 3.96Å; L223-L335 HydrophobicContact CG-CD2 3.95Å; Y237-L335 PolarHBondContact O-N 3.08Å; V239-L335 PolarHBondContact N-O 3.05Å
336V98.9Very high97.5Very high0 Ų014 Ų140%07%0.072CC..EExtended strand (participates in β ladder)trans-105.8128.9-179.7-169.30000110I202 C203 R204 S205 T241 I323 V334 T345 V348I202-V336 HydrophobicContact CG2-CG2 3.93Å; C203-V336 PolarHBondContact O-N 3.27Å; R204-V336 VanDerWaalsContact CA-O 3.32Å; R204-V336 WeakPolarHBondContact CA-O 2.99Å; S205-V336 PolarHBondContact N-O 3.38Å; S205-V336 VanDerWaalsContact N-O 3.12Å; T241-V336 HydrophobicContact CG2-CG1 4.02Å; I323-V336 HydrophobicContact CD1-CG1 4.32Å; I323-V336 HydrophobicContact CD1-CG2 3.65Å; V334-V336 HydrophobicContact CG1-CG2 4Å; V336-T345 HydrophobicContact CB-CG2 4.29Å; V336-T345 HydrophobicContact CG1-CG2 4.12Å; V336-T345 WeakPolarHBondContact O-CG2 3.3Å; V336-V348 HydrophobicContact CG1-CG1 4.13Å
337H98.5Very high97.5Very high0 Ų014.1 Ų14.10%07%0.073CC..EExtended strand (participates in β ladder)trans-144.4177.8170.865.891.8000112.6S205 V238 V239 D240 T241 E258 T345S205-H337 WeakPolarHBondContact O-CA 3.5Å; S205-H337 WeakPolarHBondContact O-CB 3.48Å; V238-H337 WeakPolarHBondContact CG1-NE2 3.26Å; V239-H337 PolarHBondContact O-N 2.8Å; D240-H337 IonicContact OD2-CE1 3.89Å; T241-H337 PolarHBondContact N-O 3.1Å; T241-H337 PolarHBondContact OG1-O 3.13Å; E258-H337 IonicContact OE1-NE2 3.25Å; E258-H337 IonicContact OE2-CE1 3.95Å; E258-H337 IonicContact OE2-NE2 3.76Å; E258-H337 PolarHBondContact OE2-NE2 3.28Å; H337-T345 VanDerWaalsContact C-OG1 3.3Å; H337-T345 WeakPolarHBondContact CA-OG1 3.49Å
338C94.9Very high97.5Very high3 Ų314.1 Ų14.12%0.027%0.073CC..  trans-143.8-145.2171.673.80000107.3Q207 T241 R242 G341 R344 T345Q207-C338 WeakPolarHBondContact CB-O 3.49Å; Q207-C338 PolarHBondContact N-O 3.33Å; T241-C338 WeakPolarHBondContact OG1-CB 3.46Å; R242-C338 HydrophobicContact CG-CB 4.46Å; C338-G341 PolarHBondContact SG-N 2.87Å; C338-R344 HydrophobicContact CB-CB 4.05Å; C338-T345 PolarHBondContact N-OG1 3.15Å
339S94.9Very high97.6Very high1 Ų112.8 Ų12.81%0.0076%0.064CC..SBendtrans-59.8-68.7166.7-650000111.5Q207 R242 E624Q207-S339 VanDerWaalsContact CG-O 3.22Å; Q207-S339 WeakPolarHBondContact CG-O 3.4Å; Q207-S339 PolarHBondContact N-O 2.83Å; Q207-S339 VanDerWaalsContact N-O 3.15Å; Q207-S339 PolarHBondContact NE2-O 3.46Å; Q207-S339 VanDerWaalsContact NE2-O 3.09Å; R242-S339 WeakPolarHBondContact CD-OG 3.08Å; S339-E624 WeakPolarHBondContact CB-OE2 3.34Å; S339-E624 PolarHBondContact OG-OE2 2.67Å
340D94.5Very high97.8Very high23 Ų237.8 Ų7.812%0.1234%0.04CC..SBendtrans-109.1-8-173.3-57.9-78.1000114.9R187 W342R187-D340 WeakPolarHBondContact CD-O 3.5Å; R187-D340 PolarHBondContact NE-O 3.04Å; D340-W342 HydrophobicContact CB-CD2 3.76Å; D340-W342 VanDerWaalsContact CB-CE2 3.48Å; D340-W342 HydrophobicContact CB-CE3 3.86Å; D340-W342 HydrophobicContact CB-CH2 3.39Å; D340-W342 HydrophobicContact CB-CZ2 3.28Å; D340-W342 HydrophobicContact CB-CZ3 3.7Å; D340-W342 VanDerWaalsContact CG-CZ2 3.47Å
341G96.5Very high97.9Very high0 Ų03.3 Ų3.30%02%0.019CC..SBendtrans78.819.1172.800000116.6R187 S205 C338R187-G341 PolarHBondContact NH2-O 2.95Å; S205-G341 VanDerWaalsContact O-CA 3.26Å; S205-G341 WeakPolarHBondContact O-CA 3.27Å; C338-G341 PolarHBondContact SG-N 2.87Å
342W97.4Very high97.9Very high10 Ų102.8 Ų2.84%0.0381%0.013CC..SBendtrans-122.4-13.3177.858.858000115.5R185 D340 G378 H379 K380R185-W342 HydrophobicContact CB-CZ3 4.25Å; R185-W342 HydrophobicContact CG-CH2 3.97Å; R185-W342 HydrophobicContact CG-CZ3 3.94Å; D340-W342 HydrophobicContact CB-CD2 3.76Å; D340-W342 VanDerWaalsContact CB-CE2 3.48Å; D340-W342 HydrophobicContact CB-CE3 3.86Å; D340-W342 HydrophobicContact CB-CH2 3.39Å; D340-W342 HydrophobicContact CB-CZ2 3.28Å; D340-W342 HydrophobicContact CB-CZ3 3.7Å; D340-W342 VanDerWaalsContact CG-CZ2 3.47Å; W342-G378 WeakPolarHBondContact CB-O 3.49Å; W342-H379 PolarHBondContact O-ND1 2.94Å; W342-K380 HydrophobicContact CD2-CG 4.32Å; W342-K380 HydrophobicContact CG-CG 4.45Å; W342-K380 VanDerWaalsContact CH2-CE 3.44Å; W342-K380 HydrophobicContact CZ2-CD 4.07Å
343D98.3Very high98Very high9 Ų92.8 Ų2.85%0.0481%0.013CC..SBendtrans-100.8-94.9177.6-67.1-48.2000110.4I276 T345 A346 Q347 H379 R384 V398I276-D343 HydrophobicContact CG2-CB 4.5Å; D343-T345 PolarHBondContact O-N 3.46Å; D343-T345 VanDerWaalsContact O-N 3.1Å; D343-A346 WeakPolarHBondContact O-CB 3.18Å; D343-A346 PolarHBondContact O-N 3.06Å; D343-Q347 PolarHBondContact O-N 2.7Å; D343-H379 IonicContact OD1-CE1 3.35Å; D343-H379 PolarHBondContact OD1-CE1 3.07Å; D343-H379 VanDerWaalsContact OD1-CE1 3.24Å; D343-H379 IonicContact OD1-ND1 3.93Å; D343-R384 IonicContact OD1-CZ 3.71Å; D343-R384 IonicContact OD1-NE 3.96Å; D343-R384 PolarHBondContact OD1-NE 2.74Å; D343-R384 IonicContact OD1-NH2 2.99Å; D343-R384 IonicContact OD2-CZ 2.72Å; D343-R384 IonicContact OD2-NE 2.76Å; D343-R384 PolarHBondContact OD2-NE 2.62Å; D343-R384 IonicContact OD2-NH2 2.81Å; D343-R384 PolarHBondContact OD2-NH2 3.48Å; D343-V398 HydrophobicContact CB-CG1 4.01Å; D343-V398 HydrophobicContact CB-CG2 4.41Å
344R98.4Very high97.9Very high10 Ų102.8 Ų2.84%0.0381%0.013CC..Hα-helixtrans-49.7-37.9178.5-67.4165.4-82.7-153.8-7.3114.1T241 I273 E274 C338 Q347 V348 E624T241-R344 HydrophobicContact CG2-CB 4.42Å; T241-R344 WeakPolarHBondContact OG1-CB 3.38Å; I273-R344 HydrophobicContact CB-CG 4.22Å; I273-R344 HydrophobicContact CG2-CG 3.78Å; I273-R344 WeakPolarHBondContact O-CD 3.28Å; I273-R344 PolarHBondContact O-NH1 2.8Å; E274-R344 WeakPolarHBondContact O-CD 3.27Å; E274-R344 PolarHBondContact O-NH1 2.89Å; C338-R344 HydrophobicContact CB-CB 4.05Å; R344-Q347 WeakPolarHBondContact O-CB 3.37Å; R344-Q347 PolarHBondContact O-N 2.82Å; R344-V348 WeakPolarHBondContact O-CB 3.25Å; R344-V348 VanDerWaalsContact O-CG2 3.27Å; R344-V348 WeakPolarHBondContact O-CG2 3.45Å; R344-V348 PolarHBondContact O-N 2.83Å; R344-E624 IonicContact NH2-OE1 2.64Å; R344-E624 PolarHBondContact NH2-OE1 2.94Å
345T98.7Very high97.9Very high0 Ų02.8 Ų2.80%01%0.014CC..Hα-helixtrans-65.9-37.3176.8-53.40000112.4R204 V336 H337 C338 D343 C349R204-T345 HydrophobicContact CB-CG2 3.78Å; V336-T345 HydrophobicContact CB-CG2 4.29Å; V336-T345 HydrophobicContact CG1-CG2 4.12Å; V336-T345 WeakPolarHBondContact O-CG2 3.3Å; H337-T345 VanDerWaalsContact C-OG1 3.3Å; H337-T345 WeakPolarHBondContact CA-OG1 3.49Å; C338-T345 PolarHBondContact N-OG1 3.15Å; D343-T345 PolarHBondContact O-N 3.46Å; D343-T345 VanDerWaalsContact O-N 3.1Å; T345-C349 VanDerWaalsContact O-CB 3.25Å; T345-C349 WeakPolarHBondContact O-CB 3.34Å; T345-C349 PolarHBondContact O-N 3.3Å; T345-C349 PolarHBondContact O-SG 3.4Å
346A98.7Very high97.8Very high0 Ų03 Ų30%01%0.014CC..Hα-helixtrans-69.1-44.5175.900000111.2D343 V348 S350 W374D343-A346 WeakPolarHBondContact O-CB 3.18Å; D343-A346 PolarHBondContact O-N 3.06Å; A346-V348 PolarHBondContact O-N 2.99Å; A346-S350 VanDerWaalsContact O-CB 3.23Å; A346-S350 WeakPolarHBondContact O-CB 3.49Å; A346-S350 PolarHBondContact O-N 3.48Å; A346-S350 VanDerWaalsContact O-N 3.09Å; A346-S350 PolarHBondContact O-OG 3.26Å; A346-W374 HydrophobicContact CB-CD2 4.01Å; A346-W374 HydrophobicContact CB-CE3 4.08Å; A346-W374 HydrophobicContact CB-CH2 4.36Å; A346-W374 HydrophobicContact CB-CZ2 4.26Å; A346-W374 HydrophobicContact CB-CZ3 4.26Å
347Q98.8Very high97.8Very high2 Ų23.8 Ų3.81%0.0092%0.019CC..Hα-helixtrans-51.7-57.4172.8-68.8174.3-38.600110.9I316 D343 R344 S350 V351 W374 V398 F402I316-Q347 HydrophobicContact CG2-CB 3.94Å; D343-Q347 PolarHBondContact O-N 2.7Å; R344-Q347 WeakPolarHBondContact O-CB 3.37Å; R344-Q347 PolarHBondContact O-N 2.82Å; Q347-S350 PolarHBondContact O-N 3.28Å; Q347-V351 WeakPolarHBondContact O-CG2 3.42Å; Q347-V351 PolarHBondContact O-N 3.44Å; Q347-W374 HydrophobicContact CB-CH2 4.35Å; Q347-W374 HydrophobicContact CG-CH2 3.62Å; Q347-W374 HydrophobicContact CG-CZ2 4.27Å; Q347-V398 HydrophobicContact CG-CG1 3.87Å; Q347-V398 PolarHBondContact NE2-O 3.42Å; Q347-F402 HydrophobicContact CG-CB 4.43Å
348V98.6Very high97.7Very high0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-73.4-40.1-168.8170.70000112.6T241 I273 I316 A319 I323 V336 R344 A346 S350 A352T241-V348 HydrophobicContact CG2-CB 4.26Å; T241-V348 HydrophobicContact CG2-CG1 4.35Å; T241-V348 HydrophobicContact CG2-CG2 4.02Å; I273-V348 HydrophobicContact CD1-CG2 3.56Å; I316-V348 HydrophobicContact CG2-CG2 4.45Å; A319-V348 HydrophobicContact CB-CB 4.33Å; A319-V348 HydrophobicContact CB-CG1 3.72Å; A319-V348 HydrophobicContact CB-CG2 3.62Å; I323-V348 HydrophobicContact CD1-CG1 3.18Å; V336-V348 HydrophobicContact CG1-CG1 4.13Å; R344-V348 WeakPolarHBondContact O-CB 3.25Å; R344-V348 VanDerWaalsContact O-CG2 3.27Å; R344-V348 WeakPolarHBondContact O-CG2 3.45Å; R344-V348 PolarHBondContact O-N 2.83Å; A346-V348 PolarHBondContact O-N 2.99Å; V348-S350 VanDerWaalsContact C-N 3.29Å; V348-S350 PolarHBondContact O-N 3.07Å; V348-A352 WeakPolarHBondContact O-CB 3.24Å; V348-A352 PolarHBondContact O-N 3.37Å
349C98.8Very high97.8Very high0 Ų07.8 Ų7.80%04%0.041CC..Hα-helixtrans-61.7-37.8171.4-70.90000112.1I202 T345 S353 D373I202-C349 HydrophobicContact CG2-CB 4.49Å; T345-C349 VanDerWaalsContact O-CB 3.25Å; T345-C349 WeakPolarHBondContact O-CB 3.34Å; T345-C349 PolarHBondContact O-N 3.3Å; T345-C349 PolarHBondContact O-SG 3.4Å; C349-S353 VanDerWaalsContact O-CB 3.3Å; C349-S353 WeakPolarHBondContact O-CB 3.38Å; C349-S353 PolarHBondContact O-N 2.83Å; C349-S353 PolarHBondContact O-OG 3.31Å; C349-D373 WeakPolarHBondContact CB-OD2 3.19Å
350S98.9Very high98Very high0 Ų07.8 Ų7.80%04%0.04CC..Hα-helixtrans-71.3-43.8-179.6-57.60000112.4A346 Q347 V348 S353 L354 D373 W374A346-S350 VanDerWaalsContact O-CB 3.23Å; A346-S350 WeakPolarHBondContact O-CB 3.49Å; A346-S350 PolarHBondContact O-N 3.48Å; A346-S350 VanDerWaalsContact O-N 3.09Å; A346-S350 PolarHBondContact O-OG 3.26Å; Q347-S350 PolarHBondContact O-N 3.28Å; V348-S350 VanDerWaalsContact C-N 3.29Å; V348-S350 PolarHBondContact O-N 3.07Å; S350-S353 PolarHBondContact O-N 3.28Å; S350-L354 WeakPolarHBondContact O-CG 3.11Å; S350-L354 PolarHBondContact O-N 2.99Å; S350-D373 WeakPolarHBondContact OG-CB 3.36Å; S350-W374 PolarHBondContact OG-NE1 3.17Å
351V98.8Very high98.2Very high0 Ų06.7 Ų6.70%04%0.035CC..Hα-helixtrans-62.6-46.6175.6176.20000110.7I316 M317 Q347 S353 L354 L355 F402 C405I316-V351 HydrophobicContact CG2-CG2 4.26Å; M317-V351 HydrophobicContact CE-CG1 4.4Å; M317-V351 HydrophobicContact SD-CG1 3.83Å; Q347-V351 WeakPolarHBondContact O-CG2 3.42Å; Q347-V351 PolarHBondContact O-N 3.44Å; V351-S353 VanDerWaalsContact C-N 3.31Å; V351-S353 PolarHBondContact O-N 3.22Å; V351-L354 PolarHBondContact O-N 3.1Å; V351-L355 HydrophobicContact CG1-CD1 4.25Å; V351-L355 WeakPolarHBondContact O-CG 3.43Å; V351-L355 PolarHBondContact O-N 2.82Å; V351-L355 VanDerWaalsContact O-N 3.09Å; V351-F402 HydrophobicContact CG2-CD2 3.94Å; V351-F402 HydrophobicContact CG2-CE2 4.2Å; V351-C405 HydrophobicContact CG2-CB 3.96Å
352A98.6Very high98.2Very high0 Ų08.3 Ų8.30%04%0.044CC..Hα-helixtrans-59.3-42.417600000111.9I202 I323 V348 L354 L355 L356I202-A352 HydrophobicContact CD1-CB 3.73Å; I323-A352 HydrophobicContact CB-CB 3.92Å; I323-A352 HydrophobicContact CG2-CB 3.7Å; V348-A352 WeakPolarHBondContact O-CB 3.24Å; V348-A352 PolarHBondContact O-N 3.37Å; A352-L354 PolarHBondContact O-N 3.34Å; A352-L355 PolarHBondContact O-N 3.37Å; A352-L356 WeakPolarHBondContact O-CB 3.3Å; A352-L356 WeakPolarHBondContact O-CD1 3.23Å; A352-L356 VanDerWaalsContact O-CG 3.24Å; A352-L356 WeakPolarHBondContact O-CG 3.39Å; A352-L356 PolarHBondContact O-N 3.31Å
353S98.5Very high98.2Very high0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-62.4-40177.2-60.50000112.8C349 S350 V351 L356 D357C349-S353 VanDerWaalsContact O-CB 3.3Å; C349-S353 WeakPolarHBondContact O-CB 3.38Å; C349-S353 PolarHBondContact O-N 2.83Å; C349-S353 PolarHBondContact O-OG 3.31Å; S350-S353 PolarHBondContact O-N 3.28Å; V351-S353 VanDerWaalsContact C-N 3.31Å; V351-S353 PolarHBondContact O-N 3.22Å; S353-L356 PolarHBondContact O-N 3.3Å; S353-D357 PolarHBondContact O-N 3.49Å
354L98.2Very high98.2Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-66.4-35.8176.2-75.3163000113.4S350 V351 A352 Y360 R361 F366 L369 F402 V406 F417S350-L354 WeakPolarHBondContact O-CG 3.11Å; S350-L354 PolarHBondContact O-N 2.99Å; V351-L354 PolarHBondContact O-N 3.1Å; A352-L354 PolarHBondContact O-N 3.34Å; L354-Y360 VanDerWaalsContact CD2-O 3.24Å; L354-Y360 WeakPolarHBondContact CD2-O 3.31Å; L354-R361 HydrophobicContact CD2-CG 4.1Å; L354-R361 WeakPolarHBondContact O-CD 3.48Å; L354-R361 PolarHBondContact O-NE 3.31Å; L354-F366 HydrophobicContact CD1-CE2 4.24Å; L354-F366 HydrophobicContact CD2-CD2 4.07Å; L354-F366 HydrophobicContact CD2-CE2 4.39Å; L354-L369 HydrophobicContact CD1-CD2 3.98Å; L354-L369 HydrophobicContact CD2-CD2 3.88Å; L354-L369 HydrophobicContact CG-CD2 3.6Å; L354-F402 HydrophobicContact CD1-CE2 3.73Å; L354-F402 HydrophobicContact CD1-CZ 3.87Å; L354-V406 HydrophobicContact CD1-CG2 3.71Å; L354-F417 HydrophobicContact CD2-CE1 4.38Å
355L97.9Very high98.2Very high1 Ų110.9 Ų10.91%0.0056%0.056CC..Hα-helixtrans-68.4-37174.8-66.6173000111.2I321 A324 V351 A352 L409 T485 L486 L488I321-L355 HydrophobicContact CG1-CD1 4.13Å; A324-L355 HydrophobicContact CB-CB 3.86Å; A324-L355 HydrophobicContact CB-CD1 3.97Å; V351-L355 HydrophobicContact CG1-CD1 4.25Å; V351-L355 WeakPolarHBondContact O-CG 3.43Å; V351-L355 PolarHBondContact O-N 2.82Å; V351-L355 VanDerWaalsContact O-N 3.09Å; A352-L355 PolarHBondContact O-N 3.37Å; L355-L409 HydrophobicContact CD2-CD1 4.17Å; L355-L409 HydrophobicContact CD2-CD2 3.82Å; L355-T485 CarbonylContact O-C 3.54Å; L355-T485 VanDerWaalsContact O-CA 3.26Å; L355-T485 WeakPolarHBondContact O-CA 3.39Å; L355-L486 HydrophobicContact CD2-CB 3.93Å; L355-L486 PolarHBondContact O-N 2.85Å; L355-L488 HydrophobicContact CD1-CD1 4.31Å; L355-L488 HydrophobicContact CD2-CD1 3.67Å
356L97.9Very high98.2Very high3 Ų310.9 Ų10.92%0.0166%0.056CC..Hα-helixtrans-84.2-35.7-175.2-69.9166.5000114.7Y193 Y195 I202 A324 V327 A352 S353 T485Y193-L356 HydrophobicContact CD1-CD1 4.05Å; Y193-L356 HydrophobicContact CE1-CB 3.9Å; Y193-L356 HydrophobicContact CE1-CD1 3.83Å; Y195-L356 HydrophobicContact CD2-CB 4.32Å; Y195-L356 HydrophobicContact CD2-CD2 4.11Å; Y195-L356 HydrophobicContact CE2-CB 4.4Å; Y195-L356 HydrophobicContact CE2-CD2 4.01Å; I202-L356 HydrophobicContact CD1-CD1 3.78Å; A324-L356 HydrophobicContact CB-CD2 4.23Å; A324-L356 HydrophobicContact CB-CG 4.1Å; V327-L356 HydrophobicContact CB-CD1 4.03Å; V327-L356 HydrophobicContact CB-CD2 4.32Å; V327-L356 HydrophobicContact CG1-CD1 3.81Å; V327-L356 HydrophobicContact CG1-CD2 4.12Å; V327-L356 HydrophobicContact CG2-CD1 4.47Å; A352-L356 WeakPolarHBondContact O-CB 3.3Å; A352-L356 WeakPolarHBondContact O-CD1 3.23Å; A352-L356 VanDerWaalsContact O-CG 3.24Å; A352-L356 WeakPolarHBondContact O-CG 3.39Å; A352-L356 PolarHBondContact O-N 3.31Å; S353-L356 PolarHBondContact O-N 3.3Å; L356-T485 HydrophobicContact CD2-CG2 4.32Å
357D97.6Very high98.2Very high17 Ų1711 Ų119%0.0916%0.056CC..  trans-120.3115.2-169.3-160.1-33.4000112.6R138 Y193 S353 H359 Y360R138-D357 IonicContact CZ-OD2 3.3Å; R138-D357 VanDerWaalsContact CZ-OD2 3.24Å; R138-D357 IonicContact NH1-OD1 3.51Å; R138-D357 PolarHBondContact NH1-OD1 2.85Å; R138-D357 IonicContact NH1-OD2 3.83Å; R138-D357 PolarHBondContact NH1-OD2 3.39Å; R138-D357 IonicContact NH2-OD2 3.08Å; R138-D357 PolarHBondContact NH2-OD2 2.82Å; Y193-D357 HydrophobicContact CE2-CB 4.01Å; Y193-D357 WeakPolarHBondContact CE2-OD2 3.42Å; Y193-D357 PolarHBondContact OH-OD2 2.87Å; S353-D357 PolarHBondContact O-N 3.49Å; D357-H359 PolarHBondContact O-N 3.47Å; D357-H359 VanDerWaalsContact O-N 3.15Å; D357-H359 WeakPolarHBondContact OD1-CB 3.24Å; D357-H359 PolarHBondContact OD1-N 2.86Å; D357-Y360 HydrophobicContact CB-CD2 3.63Å; D357-Y360 HydrophobicContact CB-CE2 3.94Å; D357-Y360 PolarHBondContact O-N 2.9Å
358P96.7Very high98.2Very high39 Ų3911.2 Ų11.225%0.2536%0.058SC..G310 helixtrans-51.4-31169.5-29.436.6000114.7Y360 R361 T482 G484P358-Y360 VanDerWaalsContact C-N 3.35Å; P358-Y360 PolarHBondContact O-N 2.98Å; P358-R361 WeakPolarHBondContact O-CB 3.35Å; P358-R361 PolarHBondContact O-N 3.33Å; P358-R361 VanDerWaalsContact O-N 3.1Å; P358-T482 WeakPolarHBondContact CB-O 3.42Å; P358-G484 WeakPolarHBondContact CD-O 3.46Å; P358-G484 WeakPolarHBondContact CG-O 3.43Å
359H97.3Very high98.2Very high49 Ų4911.2 Ų11.223%0.2276%0.058CC..G310 helixtrans-58.5-46.2-177.9-178.862.8000111.7E135 R138 D357 R361 T362 G365E135-H359 IonicContact OE2-CD2 3.73Å; E135-H359 IonicContact OE2-NE2 2.69Å; R138-H359 PolarHBondContact NE-CD2 3.29Å; R138-H359 VanDerWaalsContact NE-CD2 3.28Å; R138-H359 VanDerWaalsContact NH1-CB 3.3Å; D357-H359 PolarHBondContact O-N 3.47Å; D357-H359 VanDerWaalsContact O-N 3.15Å; D357-H359 WeakPolarHBondContact OD1-CB 3.24Å; D357-H359 PolarHBondContact OD1-N 2.86Å; H359-R361 PolarHBondContact O-N 3.01Å; H359-R361 VanDerWaalsContact O-N 3.09Å; H359-T362 WeakPolarHBondContact O-CB 3.38Å; H359-T362 PolarHBondContact O-N 3.14Å; H359-T362 PolarHBondContact O-OG1 2.7Å; H359-G365 WeakPolarHBondContact O-CA 3.29Å
360Y98.6Very high98.2Very high0 Ų011.2 Ų11.20%06%0.058CC..G310 helixtrans-68.8-9.8-178.1-59.9-51.8000113.8E135 Y193 L354 D357 P358 G365 F366 L369 K372E135-Y360 PolarHBondContact OE1-OH 3.35Å; Y193-Y360 AromaticContact CD2-CE2 3.81Å; Y193-Y360 HydrophobicContact CD2-CE2 3.81Å; Y193-Y360 AromaticContact CE2-CE2 3.87Å; Y193-Y360 HydrophobicContact CE2-CE2 3.87Å; L354-Y360 VanDerWaalsContact CD2-O 3.24Å; L354-Y360 WeakPolarHBondContact CD2-O 3.31Å; D357-Y360 HydrophobicContact CB-CD2 3.63Å; D357-Y360 HydrophobicContact CB-CE2 3.94Å; D357-Y360 PolarHBondContact O-N 2.9Å; P358-Y360 VanDerWaalsContact C-N 3.35Å; P358-Y360 PolarHBondContact O-N 2.98Å; Y360-G365 WeakPolarHBondContact CD1-O 3.42Å; Y360-F366 WeakPolarHBondContact O-CA 3.47Å; Y360-F366 PolarHBondContact O-N 3.48Å; Y360-L369 HydrophobicContact CD1-CB 3.75Å; Y360-L369 HydrophobicContact CD1-CD1 4.22Å; Y360-L369 HydrophobicContact CD1-CG 4.42Å; Y360-L369 HydrophobicContact CD2-CD1 4.43Å; Y360-L369 HydrophobicContact CE1-CB 4.21Å; Y360-L369 HydrophobicContact CE1-CD1 4.19Å; Y360-L369 HydrophobicContact CE2-CD1 4.46Å; Y360-L369 HydrophobicContact CG-CB 4.23Å; Y360-L369 HydrophobicContact CG-CD1 4.32Å; Y360-L369 HydrophobicContact CG-CD2 4.32Å; Y360-K372 WeakPolarHBondContact OH-CE 3.42Å; Y360-K372 PolarHBondContact OH-NZ 2.93Å
361R98.3Very high98.2Very high1 Ų112.3 Ų12.30%0.0046%0.063CC..G310 helixtrans-91.1-2.7174.5-56.8-174-89132.5-17113L354 P358 H359 A416 F417 E418 Q481 G484L354-R361 HydrophobicContact CD2-CG 4.1Å; L354-R361 WeakPolarHBondContact O-CD 3.48Å; L354-R361 PolarHBondContact O-NE 3.31Å; P358-R361 WeakPolarHBondContact O-CB 3.35Å; P358-R361 PolarHBondContact O-N 3.33Å; P358-R361 VanDerWaalsContact O-N 3.1Å; H359-R361 PolarHBondContact O-N 3.01Å; H359-R361 VanDerWaalsContact O-N 3.09Å; R361-A416 WeakPolarHBondContact CB-O 3.41Å; R361-A416 PolarHBondContact NH1-O 2.86Å; R361-F417 HydrophobicContact CB-CD1 3.8Å; R361-F417 HydrophobicContact CB-CE1 4.13Å; R361-F417 HydrophobicContact CB-CG 4.37Å; R361-F417 HydrophobicContact CG-CD1 3.9Å; R361-F417 HydrophobicContact CG-CE1 3.67Å; R361-F417 HydrophobicContact CG-CZ 4.24Å; R361-F417 WeakPolarHBondContact O-CA 3.44Å; R361-E418 PolarHBondContact O-N 3.47Å; R361-Q481 PolarHBondContact NH1-O 2.92Å; R361-G484 PolarHBondContact NH2-O 3.04Å
362T97.8Very high98.2Very high33 Ų3312.3 Ų12.320%0.2026%0.063CC..SBendtrans-80.9157.116668.90000111.3H359 K364 G365 F366 E418H359-T362 WeakPolarHBondContact O-CB 3.38Å; H359-T362 PolarHBondContact O-N 3.14Å; H359-T362 PolarHBondContact O-OG1 2.7Å; T362-K364 VanDerWaalsContact C-N 3.35Å; T362-K364 PolarHBondContact O-N 3.38Å; T362-G365 PolarHBondContact O-N 3.05Å; T362-G365 PolarHBondContact OG1-N 3.32Å; T362-F366 WeakPolarHBondContact O-CB 3.48Å; T362-F366 PolarHBondContact O-N 2.83Å; T362-E418 VanDerWaalsContact CA-OE2 3.29Å; T362-E418 WeakPolarHBondContact CA-OE2 3.5Å; T362-E418 VanDerWaalsContact CB-OE2 3.23Å; T362-E418 WeakPolarHBondContact CB-OE2 3.31Å
363L97.8Very high98.2Very high3 Ų312.3 Ų12.32%0.0166%0.063CC..Hα-helixtrans-51.6-52173.1-85166.1000111.2M367 E418 F419 F423 W464 R467 L471L363-M367 VanDerWaalsContact O-CG 3.32Å; L363-M367 WeakPolarHBondContact O-CG 3.42Å; L363-M367 PolarHBondContact O-N 2.97Å; L363-E418 HydrophobicContact CD1-CG 4.49Å; L363-E418 HydrophobicContact CG-CG 4.46Å; L363-E418 PolarHBondContact N-OE2 3.5Å; L363-F419 HydrophobicContact CD2-CB 3.59Å; L363-F419 HydrophobicContact CG-CB 4Å; L363-F423 HydrophobicContact CD2-CD1 4.1Å; L363-F423 HydrophobicContact CD2-CD2 3.69Å; L363-F423 HydrophobicContact CD2-CE1 3.94Å; L363-F423 HydrophobicContact CD2-CE2 3.54Å; L363-F423 HydrophobicContact CD2-CG 3.96Å; L363-F423 HydrophobicContact CD2-CZ 3.66Å; L363-W464 HydrophobicContact CB-CZ3 4.39Å; L363-R467 HydrophobicContact CD1-CB 4.17Å; L363-L471 HydrophobicContact CD1-CD2 3.64Å; L363-L471 HydrophobicContact CD1-CG 4.36Å
364K98Very high98.2Very high80 Ų8012.3 Ų12.335%0.3486%0.063SC..Hα-helixtrans-68-45.3-178.9-169.8170.5-176.6174.30111.4L129 T362 F366 M367 V368 W464L129-K364 WeakPolarHBondContact O-CE 3.39Å; L129-K364 PolarHBondContact O-NZ 3.09Å; T362-K364 VanDerWaalsContact C-N 3.35Å; T362-K364 PolarHBondContact O-N 3.38Å; K364-F366 VanDerWaalsContact C-N 3.31Å; K364-F366 PolarHBondContact O-N 2.97Å; K364-M367 WeakPolarHBondContact O-CB 3.32Å; K364-M367 PolarHBondContact O-N 3.43Å; K364-V368 HydrophobicContact CG-CG2 4.42Å; K364-V368 WeakPolarHBondContact O-CG2 3.41Å; K364-V368 PolarHBondContact O-N 3.27Å; K364-W464 HydrophobicContact CB-CH2 4.13Å; K364-W464 HydrophobicContact CB-CZ3 3.75Å; K364-W464 HydrophobicContact CG-CZ3 4.47Å
365G98.4Very high98.3Very high0 Ų012.6 Ų12.60%07%0.065CC..Hα-helixtrans-64-33.8-178.700000113H359 Y360 T362 V368 L369H359-G365 WeakPolarHBondContact O-CA 3.29Å; Y360-G365 WeakPolarHBondContact CD1-O 3.42Å; T362-G365 PolarHBondContact O-N 3.05Å; T362-G365 PolarHBondContact OG1-N 3.32Å; G365-V368 WeakPolarHBondContact O-CB 3.47Å; G365-V368 PolarHBondContact O-N 3.38Å; G365-L369 WeakPolarHBondContact O-CB 3.35Å; G365-L369 PolarHBondContact O-N 2.69Å
366F98.8Very high98.3Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-65.4-40.4174.2-166.8-105.2000112.3L354 Y360 T362 K364 V368 L369 I370 F402 V406 F419 F423 L424 I427L354-F366 HydrophobicContact CD1-CE2 4.24Å; L354-F366 HydrophobicContact CD2-CD2 4.07Å; L354-F366 HydrophobicContact CD2-CE2 4.39Å; Y360-F366 WeakPolarHBondContact O-CA 3.47Å; Y360-F366 PolarHBondContact O-N 3.48Å; T362-F366 WeakPolarHBondContact O-CB 3.48Å; T362-F366 PolarHBondContact O-N 2.83Å; K364-F366 VanDerWaalsContact C-N 3.31Å; K364-F366 PolarHBondContact O-N 2.97Å; F366-V368 VanDerWaalsContact C-N 3.35Å; F366-L369 PolarHBondContact O-N 2.92Å; F366-I370 HydrophobicContact CD1-CD1 3.9Å; F366-I370 HydrophobicContact CE1-CD1 3.5Å; F366-I370 VanDerWaalsContact CE1-CD1 3.5Å; F366-I370 HydrophobicContact CE1-CG1 4.39Å; F366-I370 HydrophobicContact CZ-CD1 4.08Å; F366-I370 PolarHBondContact O-N 2.88Å; F366-I370 VanDerWaalsContact O-N 3.09Å; F366-F402 HydrophobicContact CE2-CE1 4.12Å; F366-F402 AromaticContact CE2-CZ 3.91Å; F366-F402 HydrophobicContact CE2-CZ 3.91Å; F366-F402 AromaticContact CZ-CE1 3.91Å; F366-F402 HydrophobicContact CZ-CE1 3.91Å; F366-F402 HydrophobicContact CZ-CZ 4.17Å; F366-V406 HydrophobicContact CE2-CB 4.39Å; F366-V406 HydrophobicContact CE2-CG1 3.94Å; F366-V406 HydrophobicContact CE2-CG2 3.63Å; F366-V406 HydrophobicContact CZ-CB 4.47Å; F366-V406 HydrophobicContact CZ-CG1 4.23Å; F366-V406 HydrophobicContact CZ-CG2 3.86Å; F366-F419 HydrophobicContact CB-CD1 4.27Å; F366-F419 HydrophobicContact CB-CE1 3.62Å; F366-F419 HydrophobicContact CB-CZ 4.18Å; F366-F419 HydrophobicContact CD1-CZ 4.38Å; F366-F419 AromaticContact CD2-CE1 3.96Å; F366-F419 HydrophobicContact CD2-CE1 3.96Å; F366-F419 AromaticContact CD2-CZ 3.67Å; F366-F419 HydrophobicContact CD2-CZ 3.67Å; F366-F419 HydrophobicContact CE2-CZ 4.12Å; F366-F419 AromaticContact CG-CE1 3.8Å; F366-F419 HydrophobicContact CG-CE1 3.8Å; F366-F419 AromaticContact CG-CZ 3.82Å; F366-F419 HydrophobicContact CG-CZ 3.82Å; F366-F423 HydrophobicContact CB-CE1 4.25Å; F366-F423 HydrophobicContact CD1-CD1 4.4Å; F366-F423 AromaticContact CD1-CE1 3.62Å; F366-F423 HydrophobicContact CD1-CE1 3.62Å; F366-F423 HydrophobicContact CD1-CZ 4.42Å; F366-F423 HydrophobicContact CE1-CE1 4.41Å; F366-F423 HydrophobicContact CG-CE1 4.26Å; F366-L424 HydrophobicContact CE1-CD2 3.83Å; F366-L424 HydrophobicContact CZ-CD2 3.89Å; F366-I427 HydrophobicContact CD1-CD1 3.91Å; F366-I427 HydrophobicContact CE1-CD1 3.81Å
367M98.7Very high98.3Very high2 Ų212.6 Ų12.61%0.017%0.065CC..Hα-helixtrans-63.2-41.9172.8-54.8172.5-173.200111.2I130 L363 K364 L369 I370 E371 F423 W460 L463 W464I130-M367 HydrophobicContact CD1-CB 3.51Å; L363-M367 VanDerWaalsContact O-CG 3.32Å; L363-M367 WeakPolarHBondContact O-CG 3.42Å; L363-M367 PolarHBondContact O-N 2.97Å; K364-M367 WeakPolarHBondContact O-CB 3.32Å; K364-M367 PolarHBondContact O-N 3.43Å; M367-L369 VanDerWaalsContact C-N 3.35Å; M367-L369 PolarHBondContact O-N 3.44Å; M367-I370 PolarHBondContact O-N 3.16Å; M367-E371 PolarHBondContact O-N 3.28Å; M367-F423 HydrophobicContact CE-CE2 3.64Å; M367-F423 HydrophobicContact CE-CZ 3.68Å; M367-F423 HydrophobicContact CG-CZ 4.13Å; M367-W460 HydrophobicContact CB-CD2 3.83Å; M367-W460 HydrophobicContact CB-CE3 3.78Å; M367-W460 HydrophobicContact CB-CG 4.3Å; M367-W460 HydrophobicContact CB-CH2 4.46Å; M367-W460 HydrophobicContact CB-CZ3 4.11Å; M367-W460 HydrophobicContact CE-CE3 4.48Å; M367-W460 HydrophobicContact CG-CD2 3.94Å; M367-W460 HydrophobicContact CG-CE3 3.4Å; M367-W460 VanDerWaalsContact CG-CE3 3.4Å; M367-W460 HydrophobicContact CG-CZ3 3.76Å; M367-W460 HydrophobicContact SD-CB 3.91Å; M367-W460 HydrophobicContact SD-CD2 4.2Å; M367-W460 HydrophobicContact SD-CE3 3.82Å; M367-W460 HydrophobicContact SD-CG 4.28Å; M367-L463 HydrophobicContact CE-CB 3.83Å; M367-W464 HydrophobicContact CE-CE3 4.47Å
368V98.8Very high98.3Very high8 Ų811.9 Ų11.95%0.0486%0.061CC..Hα-helixtrans-61-41.7174.9171.90000111.2I130 L132 E135 K364 G365 F366 I370 E371 K372I130-V368 HydrophobicContact CD1-CG2 4.49Å; I130-V368 HydrophobicContact CG1-CG2 4.2Å; I130-V368 HydrophobicContact CG2-CG2 4.01Å; L132-V368 HydrophobicContact CD2-CG1 4.44Å; E135-V368 HydrophobicContact CB-CG1 3.81Å; E135-V368 HydrophobicContact CG-CG1 3.62Å; K364-V368 HydrophobicContact CG-CG2 4.42Å; K364-V368 WeakPolarHBondContact O-CG2 3.41Å; K364-V368 PolarHBondContact O-N 3.27Å; G365-V368 WeakPolarHBondContact O-CB 3.47Å; G365-V368 PolarHBondContact O-N 3.38Å; F366-V368 VanDerWaalsContact C-N 3.35Å; V368-I370 PolarHBondContact O-N 2.91Å; V368-E371 PolarHBondContact O-N 3.11Å; V368-K372 VanDerWaalsContact O-CB 3.26Å; V368-K372 WeakPolarHBondContact O-CB 3.47Å; V368-K372 PolarHBondContact O-N 2.83Å
369L98.8Very high98.4Very high0 Ų010.1 Ų10.10%05%0.05CC..Hα-helixtrans-62-42.4176.9-177.762.2000111.7L354 Y360 G365 F366 M367 K372 D373 F402L354-L369 HydrophobicContact CD1-CD2 3.98Å; L354-L369 HydrophobicContact CD2-CD2 3.88Å; L354-L369 HydrophobicContact CG-CD2 3.6Å; Y360-L369 HydrophobicContact CD1-CB 3.75Å; Y360-L369 HydrophobicContact CD1-CD1 4.22Å; Y360-L369 HydrophobicContact CD1-CG 4.42Å; Y360-L369 HydrophobicContact CD2-CD1 4.43Å; Y360-L369 HydrophobicContact CE1-CB 4.21Å; Y360-L369 HydrophobicContact CE1-CD1 4.19Å; Y360-L369 HydrophobicContact CE2-CD1 4.46Å; Y360-L369 HydrophobicContact CG-CB 4.23Å; Y360-L369 HydrophobicContact CG-CD1 4.32Å; Y360-L369 HydrophobicContact CG-CD2 4.32Å; G365-L369 WeakPolarHBondContact O-CB 3.35Å; G365-L369 PolarHBondContact O-N 2.69Å; F366-L369 PolarHBondContact O-N 2.92Å; M367-L369 VanDerWaalsContact C-N 3.35Å; M367-L369 PolarHBondContact O-N 3.44Å; L369-K372 PolarHBondContact O-N 3.46Å; L369-D373 HydrophobicContact CD1-CB 4.3Å; L369-D373 PolarHBondContact O-N 3.22Å; L369-F402 HydrophobicContact CD2-CZ 4.14Å
370I98.9Very high98.5Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-67.8-45.7176.7-67.4174.4000111.2F366 M367 V368 K372 W374 I375 F402 I427 F439 W460F366-I370 HydrophobicContact CD1-CD1 3.9Å; F366-I370 HydrophobicContact CE1-CD1 3.5Å; F366-I370 VanDerWaalsContact CE1-CD1 3.5Å; F366-I370 HydrophobicContact CE1-CG1 4.39Å; F366-I370 HydrophobicContact CZ-CD1 4.08Å; F366-I370 PolarHBondContact O-N 2.88Å; F366-I370 VanDerWaalsContact O-N 3.09Å; M367-I370 PolarHBondContact O-N 3.16Å; V368-I370 PolarHBondContact O-N 2.91Å; I370-K372 VanDerWaalsContact C-N 3.3Å; I370-K372 PolarHBondContact O-N 3.1Å; I370-W374 WeakPolarHBondContact O-CB 3.27Å; I370-W374 PolarHBondContact O-N 3.48Å; I370-I375 HydrophobicContact CG2-CD1 4.12Å; I370-I375 PolarHBondContact O-N 3.31Å; I370-I375 VanDerWaalsContact O-N 3.07Å; I370-F402 HydrophobicContact CG1-CE1 4.39Å; I370-I427 HydrophobicContact CD1-CD1 4.37Å; I370-I427 HydrophobicContact CD1-CG2 4.21Å; I370-F439 HydrophobicContact CG2-CE1 3.73Å; I370-F439 HydrophobicContact CG2-CZ 4.15Å; I370-W460 HydrophobicContact CB-CH2 4.19Å; I370-W460 HydrophobicContact CB-CZ2 4.18Å; I370-W460 HydrophobicContact CD1-CH2 4.11Å; I370-W460 HydrophobicContact CG2-CH2 4.01Å; I370-W460 HydrophobicContact CG2-CZ2 3.87Å
371E98.6Very high98.5Very high23 Ų239.4 Ų9.411%0.1075%0.046CC..Iπ-helixtrans-59.8-40.3175.2-80-68163.200111.9I130 L132 M367 V368 I375 S376 N438 R447 W460I130-E371 HydrophobicContact CD1-CG 3.96Å; I130-E371 HydrophobicContact CG2-CB 4.06Å; I130-E371 HydrophobicContact CG2-CG 4.19Å; L132-E371 HydrophobicContact CD2-CB 4.23Å; M367-E371 PolarHBondContact O-N 3.28Å; V368-E371 PolarHBondContact O-N 3.11Å; E371-I375 VanDerWaalsContact CD-CD1 3.47Å; E371-I375 HydrophobicContact CG-CD1 4.25Å; E371-I375 VanDerWaalsContact OE1-CD1 3.3Å; E371-I375 WeakPolarHBondContact OE1-CD1 3.42Å; E371-I375 WeakPolarHBondContact OE2-CG2 3.4Å; E371-S376 VanDerWaalsContact O-CB 3.25Å; E371-S376 WeakPolarHBondContact O-CB 3.49Å; E371-S376 PolarHBondContact O-N 3.46Å; E371-N438 PolarHBondContact OE1-ND2 3.19Å; E371-R447 IonicContact OE1-NH2 3.31Å; E371-R447 IonicContact OE2-NH2 3.29Å; E371-W460 HydrophobicContact CG-CZ2 4.42Å; E371-W460 PolarHBondContact OE1-NE1 2.91Å
372K98.5Very high98.4Very high0 Ų010.1 Ų10.10%05%0.05CC..Iπ-helixtrans-70.4-73.2176.6-169.6167.65571.40111.7L132 E135 M139 S192 Y360 V368 L369 I370 W374 S376 F377L132-K372 HydrophobicContact CD2-CB 3.95Å; E135-K372 HydrophobicContact CG-CD 4.12Å; M139-K372 HydrophobicContact CE-CD 4.45Å; S192-K372 PolarHBondContact O-NZ 3.06Å; Y360-K372 WeakPolarHBondContact OH-CE 3.42Å; Y360-K372 PolarHBondContact OH-NZ 2.93Å; V368-K372 VanDerWaalsContact O-CB 3.26Å; V368-K372 WeakPolarHBondContact O-CB 3.47Å; V368-K372 PolarHBondContact O-N 2.83Å; L369-K372 PolarHBondContact O-N 3.46Å; I370-K372 VanDerWaalsContact C-N 3.3Å; I370-K372 PolarHBondContact O-N 3.1Å; K372-W374 VanDerWaalsContact C-N 3.33Å; K372-W374 PolarHBondContact O-N 3.39Å; K372-S376 PolarHBondContact O-OG 3.46Å; K372-F377 HydrophobicContact CG-CE2 4.4Å; K372-F377 VanDerWaalsContact O-CD2 3.27Å; K372-F377 WeakPolarHBondContact O-CD2 3.38Å; K372-F377 PolarHBondContact O-N 3.11Å
373D98.6Very high98.4Very high0 Ų011.8 Ų11.80%06%0.055CC..Iπ-helixtrans-76.9-16.1-161.3-84.542.6000114.8S192 R204 C349 S350 L369S192-D373 PolarHBondContact OG-OD1 3.43Å; S192-D373 PolarHBondContact OG-OD2 2.88Å; R204-D373 PolarHBondContact NH1-O 2.84Å; R204-D373 IonicContact NH1-OD2 3.19Å; R204-D373 PolarHBondContact NH1-OD2 3.46Å; R204-D373 PolarHBondContact NH2-O 2.93Å; C349-D373 WeakPolarHBondContact CB-OD2 3.19Å; S350-D373 WeakPolarHBondContact OG-CB 3.36Å; L369-D373 HydrophobicContact CD1-CB 4.3Å; L369-D373 PolarHBondContact O-N 3.22Å
374W98.8Very high98.4Very high0 Ų012 Ų120%06%0.056CC..Iπ-helixtrans-115-59.9-177.5-5973.2000111.6A346 Q347 S350 I370 K372 G378 H379 F381 V398 I399 F402A346-W374 HydrophobicContact CB-CD2 4.01Å; A346-W374 HydrophobicContact CB-CE3 4.08Å; A346-W374 HydrophobicContact CB-CH2 4.36Å; A346-W374 HydrophobicContact CB-CZ2 4.26Å; A346-W374 HydrophobicContact CB-CZ3 4.26Å; Q347-W374 HydrophobicContact CB-CH2 4.35Å; Q347-W374 HydrophobicContact CG-CH2 3.62Å; Q347-W374 HydrophobicContact CG-CZ2 4.27Å; S350-W374 PolarHBondContact OG-NE1 3.17Å; I370-W374 WeakPolarHBondContact O-CB 3.27Å; I370-W374 PolarHBondContact O-N 3.48Å; K372-W374 VanDerWaalsContact C-N 3.33Å; K372-W374 PolarHBondContact O-N 3.39Å; W374-G378 PolarHBondContact O-N 3.3Å; W374-H379 HydrophobicContact CB-CB 4.26Å; W374-H379 HydrophobicContact CE3-CB 4.17Å; W374-H379 AromaticContact CE3-CD2 3.92Å; W374-H379 AromaticContact CE3-CG 3.74Å; W374-H379 VanDerWaalsContact O-CB 3.25Å; W374-H379 WeakPolarHBondContact O-CB 3.33Å; W374-H379 PolarHBondContact O-N 2.81Å; W374-F381 HydrophobicContact CB-CE2 4.14Å; W374-F381 HydrophobicContact CB-CZ 3.92Å; W374-V398 HydrophobicContact CH2-CG1 4.4Å; W374-V398 HydrophobicContact CZ3-CG1 4.1Å; W374-I399 HydrophobicContact CD2-CD1 3.9Å; W374-I399 HydrophobicContact CD2-CG1 4.09Å; W374-I399 HydrophobicContact CE3-CB 4.03Å; W374-I399 HydrophobicContact CE3-CD1 3.74Å; W374-I399 HydrophobicContact CE3-CG1 3.75Å; W374-I399 HydrophobicContact CG-CD1 4.31Å; W374-I399 HydrophobicContact CH2-CB 4.14Å; W374-I399 HydrophobicContact CH2-CG1 3.95Å; W374-I399 HydrophobicContact CZ2-CG1 4.3Å; W374-I399 HydrophobicContact CZ3-CB 3.63Å; W374-I399 HydrophobicContact CZ3-CD1 4.19Å; W374-I399 HydrophobicContact CZ3-CG1 3.67Å; W374-F402 AromaticContact CE2-CD1 3.85Å; W374-F402 HydrophobicContact CH2-CB 3.54Å; W374-F402 HydrophobicContact CH2-CD1 4.26Å; W374-F402 HydrophobicContact CH2-CG 4Å; W374-F402 HydrophobicContact CZ2-CB 3.43Å; W374-F402 VanDerWaalsContact CZ2-CB 3.43Å; W374-F402 AromaticContact CZ2-CD1 3.5Å; W374-F402 HydrophobicContact CZ2-CD1 3.5Å; W374-F402 AromaticContact CZ2-CD2 3.98Å; W374-F402 HydrophobicContact CZ2-CD2 3.98Å; W374-F402 HydrophobicContact CZ2-CE1 4.24Å; W374-F402 AromaticContact CZ2-CG 3.34Å; W374-F402 HydrophobicContact CZ2-CG 3.34Å; W374-F402 AromaticContact NE1-CE1 3.92Å
375I98.7Very high98.3Very high6 Ų68.3 Ų8.33%0.0314%0.04CC..Iπ-helixtrans-71.4-56.5-173.7-72.9166.8000111.4I370 E371 F377 G378 F381 N438 F439 W460I370-I375 HydrophobicContact CG2-CD1 4.12Å; I370-I375 PolarHBondContact O-N 3.31Å; I370-I375 VanDerWaalsContact O-N 3.07Å; E371-I375 VanDerWaalsContact CD-CD1 3.47Å; E371-I375 HydrophobicContact CG-CD1 4.25Å; E371-I375 VanDerWaalsContact OE1-CD1 3.3Å; E371-I375 WeakPolarHBondContact OE1-CD1 3.42Å; E371-I375 WeakPolarHBondContact OE2-CG2 3.4Å; I375-F377 VanDerWaalsContact C-N 3.33Å; I375-F377 PolarHBondContact O-N 2.99Å; I375-G378 PolarHBondContact O-N 3.35Å; I375-F381 HydrophobicContact CG1-CE2 3.7Å; I375-F381 HydrophobicContact CG1-CZ 4.14Å; I375-N438 HydrophobicContact CD1-CB 4.35Å; I375-N438 WeakPolarHBondContact CD1-O 3.36Å; I375-N438 WeakPolarHBondContact CG1-O 3.44Å; I375-F439 HydrophobicContact CD1-CD1 4.18Å; I375-F439 HydrophobicContact CD1-CE1 3.96Å; I375-F439 HydrophobicContact CG1-CD1 4.48Å; I375-W460 HydrophobicContact CD1-CZ2 4.49Å
376S97.9Very high98Very high4 Ų49.1 Ų9.13%0.0285%0.048CC..Iπ-helixtrans-67.3-38.5-175.2850000111.2P162 E371 K372 G378P162-S376 VanDerWaalsContact CD-O 3.23Å; P162-S376 WeakPolarHBondContact CD-O 3.39Å; E371-S376 VanDerWaalsContact O-CB 3.25Å; E371-S376 WeakPolarHBondContact O-CB 3.49Å; E371-S376 PolarHBondContact O-N 3.46Å; K372-S376 PolarHBondContact O-OG 3.46Å; S376-G378 PolarHBondContact O-N 2.89Å
377F98.6Very high97.6Very high0 Ų09.2 Ų9.20%05%0.049CC..THydrogen-bonded Turntrans-80.410.5177.7-82.8-61.2000115.5S160 Y161 P162 L165 R187 V190 K372 I375S160-F377 CarbonylContact O-C 3.52Å; Y161-F377 AromaticContact CD1-CD1 3.71Å; Y161-F377 HydrophobicContact CD1-CD1 3.71Å; Y161-F377 HydrophobicContact CD1-CE1 4.19Å; Y161-F377 AromaticContact CE1-CD1 3.78Å; Y161-F377 HydrophobicContact CE1-CD1 3.78Å; Y161-F377 HydrophobicContact CE1-CE1 4.19Å; Y161-F377 HydrophobicContact CG-CD1 4.43Å; P162-F377 HydrophobicContact CG-CD1 4.26Å; P162-F377 HydrophobicContact CG-CE1 3.99Å; P162-F377 HydrophobicContact CG-CZ 4.29Å; L165-F377 HydrophobicContact CD2-CE1 3.82Å; L165-F377 HydrophobicContact CD2-CZ 4.26Å; R187-F377 PolarHBondContact NH1-O 3.31Å; R187-F377 VanDerWaalsContact NH1-O 3.16Å; R187-F377 PolarHBondContact NH2-O 3Å; V190-F377 HydrophobicContact CG2-CE1 3.51Å; V190-F377 HydrophobicContact CG2-CZ 3.71Å; K372-F377 HydrophobicContact CG-CE2 4.4Å; K372-F377 VanDerWaalsContact O-CD2 3.27Å; K372-F377 WeakPolarHBondContact O-CD2 3.38Å; K372-F377 PolarHBondContact O-N 3.11Å; I375-F377 VanDerWaalsContact C-N 3.33Å; I375-F377 PolarHBondContact O-N 2.99Å
378G98.4Very high97.4Very high1 Ų110.4 Ų10.41%0.016%0.055CC..THydrogen-bonded Turntrans70.844.7166.200000114.9S160 W342 W374 I375 S376 N442S160-G378 WeakPolarHBondContact O-CA 3.26Å; W342-G378 WeakPolarHBondContact CB-O 3.49Å; W374-G378 PolarHBondContact O-N 3.3Å; I375-G378 PolarHBondContact O-N 3.35Å; S376-G378 PolarHBondContact O-N 2.89Å; G378-N442 CarbonylContact C-O 3.58Å; G378-N442 WeakPolarHBondContact CA-O 3.32Å
379H98.8Very high96.9Very high2 Ų214.7 Ų14.71%0.0098%0.077CC..  trans-62.5132.6159.1-176.668.4000109.3W342 D343 W374 F381 Y385W342-H379 PolarHBondContact O-ND1 2.94Å; D343-H379 IonicContact OD1-CE1 3.35Å; D343-H379 PolarHBondContact OD1-CE1 3.07Å; D343-H379 VanDerWaalsContact OD1-CE1 3.24Å; D343-H379 IonicContact OD1-ND1 3.93Å; W374-H379 HydrophobicContact CB-CB 4.26Å; W374-H379 HydrophobicContact CE3-CB 4.17Å; W374-H379 AromaticContact CE3-CD2 3.92Å; W374-H379 AromaticContact CE3-CG 3.74Å; W374-H379 VanDerWaalsContact O-CB 3.25Å; W374-H379 WeakPolarHBondContact O-CB 3.33Å; W374-H379 PolarHBondContact O-N 2.81Å; H379-F381 VanDerWaalsContact C-N 3.26Å; H379-F381 HydrophobicContact CB-CD2 4.28Å; H379-F381 HydrophobicContact CB-CE2 3.93Å; H379-F381 HydrophobicContact CB-CZ 4.48Å; H379-F381 AromaticContact CD2-CD2 3.95Å; H379-F381 AromaticContact CD2-CE1 3.92Å; H379-F381 AromaticContact CD2-CE2 3.87Å; H379-F381 AromaticContact CD2-CZ 3.85Å; H379-F381 VanDerWaalsContact O-CD2 3.28Å; H379-F381 WeakPolarHBondContact O-CD2 3.37Å; H379-F381 PolarHBondContact O-N 3.19Å; H379-Y385 AromaticContact NE2-CE2 3.56Å; H379-Y385 AromaticContact NE2-CZ 3.73Å; H379-Y385 PolarHBondContact NE2-OH 3.09Å
380K98.3Very high96.6Very high31 Ų3117.2 Ų17.214%0.13510%0.103CC..  trans-79.563.1-169.7-62.9-163.5170.4-178.70113.1W342 N382 H383 R384 N442W342-K380 HydrophobicContact CD2-CG 4.32Å; W342-K380 HydrophobicContact CG-CG 4.45Å; W342-K380 VanDerWaalsContact CH2-CE 3.44Å; W342-K380 HydrophobicContact CZ2-CD 4.07Å; K380-N382 PolarHBondContact O-N 3.4Å; K380-H383 HydrophobicContact CB-CB 4.1Å; K380-H383 PolarHBondContact O-N 3.46Å; K380-H383 VanDerWaalsContact O-N 3.1Å; K380-R384 HydrophobicContact CB-CG 4.25Å; K380-R384 WeakPolarHBondContact O-CB 3.47Å; K380-R384 WeakPolarHBondContact O-CG 3.37Å; K380-R384 PolarHBondContact O-N 3.42Å; K380-N442 WeakPolarHBondContact CA-OD1 3.26Å; K380-N442 HydrophobicContact CB-CB 4.18Å; K380-N442 WeakPolarHBondContact CB-OD1 3.49Å; K380-N442 HydrophobicContact CG-CB 4.13Å
381F98.4Very high96.3Very high3 Ų321.1 Ų21.11%0.01312%0.124CC..Hα-helixtrans-52.6-49-173.2-75.7-84.2000113W374 I375 H379 H383 R384 Y385 I399 F439 C441W374-F381 HydrophobicContact CB-CE2 4.14Å; W374-F381 HydrophobicContact CB-CZ 3.92Å; I375-F381 HydrophobicContact CG1-CE2 3.7Å; I375-F381 HydrophobicContact CG1-CZ 4.14Å; H379-F381 VanDerWaalsContact C-N 3.26Å; H379-F381 HydrophobicContact CB-CD2 4.28Å; H379-F381 HydrophobicContact CB-CE2 3.93Å; H379-F381 HydrophobicContact CB-CZ 4.48Å; H379-F381 AromaticContact CD2-CD2 3.95Å; H379-F381 AromaticContact CD2-CE1 3.92Å; H379-F381 AromaticContact CD2-CE2 3.87Å; H379-F381 AromaticContact CD2-CZ 3.85Å; H379-F381 VanDerWaalsContact O-CD2 3.28Å; H379-F381 WeakPolarHBondContact O-CD2 3.37Å; H379-F381 PolarHBondContact O-N 3.19Å; F381-H383 VanDerWaalsContact C-N 3.32Å; F381-H383 PolarHBondContact O-N 3.11Å; F381-R384 PolarHBondContact O-N 3.4Å; F381-Y385 HydrophobicContact CB-CD2 4.15Å; F381-Y385 HydrophobicContact CB-CE2 4.44Å; F381-Y385 AromaticContact CD1-CD2 3.66Å; F381-Y385 HydrophobicContact CD1-CD2 3.66Å; F381-Y385 AromaticContact CD1-CE2 3.46Å; F381-Y385 HydrophobicContact CD1-CE2 3.46Å; F381-Y385 VanDerWaalsContact CD1-CE2 3.46Å; F381-Y385 HydrophobicContact CE1-CE2 4.02Å; F381-Y385 HydrophobicContact CG-CD2 4.33Å; F381-Y385 HydrophobicContact CG-CE2 4.24Å; F381-Y385 WeakPolarHBondContact O-CD2 3.23Å; F381-Y385 PolarHBondContact O-N 3.11Å; F381-I399 HydrophobicContact CE1-CD1 3.72Å; F381-I399 HydrophobicContact CZ-CD1 3.86Å; F381-F439 WeakPolarHBondContact CB-O 3.1Å; F381-F439 HydrophobicContact CD1-CB 3.95Å; F381-F439 AromaticContact CD1-CD1 3.8Å; F381-F439 HydrophobicContact CD1-CD1 3.8Å; F381-F439 HydrophobicContact CD1-CG 4.27Å; F381-F439 HydrophobicContact CE1-CB 4.37Å; F381-F439 AromaticContact CE1-CD1 3.35Å; F381-F439 HydrophobicContact CE1-CD1 3.35Å; F381-F439 AromaticContact CE1-CE1 3.94Å; F381-F439 HydrophobicContact CE1-CE1 3.94Å; F381-F439 HydrophobicContact CE1-CG 4.19Å; F381-F439 HydrophobicContact CE2-CD1 4.29Å; F381-F439 HydrophobicContact CG-CB 4.38Å; F381-F439 HydrophobicContact CG-CD1 4.46Å; F381-F439 AromaticContact CZ-CD1 3.62Å; F381-F439 HydrophobicContact CZ-CD1 3.62Å; F381-F439 AromaticContact CZ-CE1 3.99Å; F381-F439 HydrophobicContact CZ-CE1 3.99Å; F381-C441 PolarHBondContact N-O 3.08Å
382N97.1Very high96Very high17 Ų1724 Ų249%0.09115%0.145CC..Hα-helixtrans-56-44.9178.3178.848.2000112.7Y106 K380 G386 N387 L388 C441Y106-N382 PolarHBondContact OH-ND2 3.46Å; K380-N382 PolarHBondContact O-N 3.4Å; N382-G386 VanDerWaalsContact O-CA 3.31Å; N382-G386 WeakPolarHBondContact O-CA 3.34Å; N382-G386 PolarHBondContact O-N 2.8Å; N382-N387 VanDerWaalsContact CA-OD1 3.27Å; N382-N387 WeakPolarHBondContact CA-OD1 3.35Å; N382-N387 PolarHBondContact O-N 3.37Å; N382-N387 WeakPolarHBondContact OD1-CB 3.36Å; N382-L388 PolarHBondContact OD1-N 2.93Å; N382-L388 VanDerWaalsContact OD1-N 3.1Å; N382-C441 PolarHBondContact N-O 3.49Å
383H97.2Very high95.9Very high68 Ų6830.2 Ų30.232%0.31517%0.172SC..Hα-helixtrans-74.3-38.8-178.6-67-163.8000112.8K380 F381 E394 I395 N442K380-H383 HydrophobicContact CB-CB 4.1Å; K380-H383 PolarHBondContact O-N 3.46Å; K380-H383 VanDerWaalsContact O-N 3.1Å; F381-H383 VanDerWaalsContact C-N 3.32Å; F381-H383 PolarHBondContact O-N 3.11Å; H383-E394 HydrophobicContact CB-CB 4.01Å; H383-E394 IonicContact ND1-OE2 3.45Å; H383-E394 CarbonylContact O-C 3.25Å; H383-I395 PolarHBondContact O-N 3.23Å; H383-N442 PolarHBondContact CD2-ND2 3.39Å; H383-N442 PolarHBondContact CD2-OD1 3.44Å; H383-N442 PolarHBondContact N-OD1 3.24Å; H383-N442 PolarHBondContact NE2-ND2 3.11Å
384R97.8Very high95.8Very high6 Ų631 Ų312%0.02318%0.176CC..Hα-helixtrans-76.2-31.1-174.7-65.1-73.8173.2-93.71.1112.8D343 K380 F381 E394 I395 S396D343-R384 IonicContact OD1-CZ 3.71Å; D343-R384 IonicContact OD1-NE 3.96Å; D343-R384 PolarHBondContact OD1-NE 2.74Å; D343-R384 IonicContact OD1-NH2 2.99Å; D343-R384 IonicContact OD2-CZ 2.72Å; D343-R384 IonicContact OD2-NE 2.76Å; D343-R384 PolarHBondContact OD2-NE 2.62Å; D343-R384 IonicContact OD2-NH2 2.81Å; D343-R384 PolarHBondContact OD2-NH2 3.48Å; K380-R384 HydrophobicContact CB-CG 4.25Å; K380-R384 WeakPolarHBondContact O-CB 3.47Å; K380-R384 WeakPolarHBondContact O-CG 3.37Å; K380-R384 PolarHBondContact O-N 3.42Å; F381-R384 PolarHBondContact O-N 3.4Å; R384-E394 WeakPolarHBondContact CD-O 3.48Å; R384-E394 IonicContact CZ-OE2 3.1Å; R384-E394 PolarHBondContact NH1-O 2.98Å; R384-E394 IonicContact NH1-OE2 2.75Å; R384-E394 PolarHBondContact NH1-OE2 3.11Å; R384-E394 IonicContact NH2-OE2 3.24Å; R384-I395 WeakPolarHBondContact O-CA 3.46Å; R384-I395 WeakPolarHBondContact O-CG2 3.43Å; R384-S396 PolarHBondContact O-N 3Å
385Y95.7Very high95.7Very high3 Ų334.1 Ų34.11%0.01219%0.192CC..Hα-helixtrans-113.3-2.3-176-52-64.1000114K75 H379 F381 I399 I431 Y432K75-Y385 PolarHBondContact NZ-O 3.29Å; H379-Y385 AromaticContact NE2-CE2 3.56Å; H379-Y385 AromaticContact NE2-CZ 3.73Å; H379-Y385 PolarHBondContact NE2-OH 3.09Å; F381-Y385 HydrophobicContact CB-CD2 4.15Å; F381-Y385 HydrophobicContact CB-CE2 4.44Å; F381-Y385 AromaticContact CD1-CD2 3.66Å; F381-Y385 HydrophobicContact CD1-CD2 3.66Å; F381-Y385 AromaticContact CD1-CE2 3.46Å; F381-Y385 HydrophobicContact CD1-CE2 3.46Å; F381-Y385 VanDerWaalsContact CD1-CE2 3.46Å; F381-Y385 HydrophobicContact CE1-CE2 4.02Å; F381-Y385 HydrophobicContact CG-CD2 4.33Å; F381-Y385 HydrophobicContact CG-CE2 4.24Å; F381-Y385 WeakPolarHBondContact O-CD2 3.23Å; F381-Y385 PolarHBondContact O-N 3.11Å; Y385-I399 HydrophobicContact CE1-CG2 3.86Å; Y385-I399 HydrophobicContact CE2-CG2 4.14Å; Y385-I399 VanDerWaalsContact CZ-CG2 3.46Å; Y385-I399 WeakPolarHBondContact OH-CB 3.39Å; Y385-I399 VanDerWaalsContact OH-CG2 3.24Å; Y385-I399 WeakPolarHBondContact OH-CG2 3.34Å; Y385-I399 PolarHBondContact OH-N 2.91Å; Y385-I431 HydrophobicContact CD1-CG2 3.98Å; Y385-I431 HydrophobicContact CD2-CG2 3.74Å; Y385-I431 HydrophobicContact CE1-CG2 4.36Å; Y385-I431 HydrophobicContact CE2-CG2 4.18Å; Y385-I431 HydrophobicContact CG-CG2 3.7Å; Y385-Y432 HydrophobicContact CD1-CD1 4.39Å; Y385-Y432 AromaticContact CD1-CE1 3.54Å; Y385-Y432 HydrophobicContact CD1-CE1 3.54Å; Y385-Y432 HydrophobicContact CD1-CE2 4.44Å; Y385-Y432 AromaticContact CD1-CZ 3.58Å; Y385-Y432 WeakPolarHBondContact CD1-OH 3.41Å; Y385-Y432 HydrophobicContact CG-CE1 4.05Å
386G93.1Very high95.6Very high17 Ų1734 Ų3418%0.17519%0.191CC..THydrogen-bonded Turntrans57.660.2177.400000111.5K75 N382 L388K75-G386 PolarHBondContact NZ-O 2.61Å; N382-G386 VanDerWaalsContact O-CA 3.31Å; N382-G386 WeakPolarHBondContact O-CA 3.34Å; N382-G386 PolarHBondContact O-N 2.8Å; G386-L388 VanDerWaalsContact C-N 3.32Å
387N90.7Very high95.6Very high3 Ų334 Ų342%0.01619%0.191CC..SBendtrans-70.7-35.6174.1-52.8127.4000110.3L109 N382 C434 F439L109-N387 HydrophobicContact CD1-CB 4.37Å; L109-N387 WeakPolarHBondContact CD2-O 3.24Å; N382-N387 VanDerWaalsContact CA-OD1 3.27Å; N382-N387 WeakPolarHBondContact CA-OD1 3.35Å; N382-N387 PolarHBondContact O-N 3.37Å; N382-N387 WeakPolarHBondContact OD1-CB 3.36Å; N387-C434 PolarHBondContact ND2-SG 3.15Å; N387-F439 PolarHBondContact OD1-O 3Å
388L93.3Very high95.6Very high26 Ų2634.1 Ų34.114%0.13619%0.192CC..SBendtrans-112165.4171.3-56.4-177.8000111.7P103 K105 Y106 L109 N382 G386 G390P103-L388 HydrophobicContact CB-CD2 4.03Å; P103-L388 CarbonylContact O-C 3.53Å; P103-L388 VanDerWaalsContact O-CA 3.26Å; P103-L388 WeakPolarHBondContact O-CA 3.41Å; K105-L388 VanDerWaalsContact C-CD2 3.5Å; K105-L388 WeakPolarHBondContact O-CD2 3.17Å; Y106-L388 HydrophobicContact CD1-CD1 4.12Å; Y106-L388 HydrophobicContact CD1-CD2 4.49Å; Y106-L388 HydrophobicContact CD1-CG 4.43Å; Y106-L388 HydrophobicContact CD2-CD1 3.89Å; Y106-L388 HydrophobicContact CE1-CD1 3.91Å; Y106-L388 HydrophobicContact CE1-CG 4.24Å; Y106-L388 HydrophobicContact CE2-CD1 3.69Å; Y106-L388 HydrophobicContact CG-CD1 4.11Å; L109-L388 HydrophobicContact CD1-CD2 4.37Å; L109-L388 HydrophobicContact CD2-CD2 4.15Å; L109-L388 HydrophobicContact CG-CD2 4.27Å; N382-L388 PolarHBondContact OD1-N 2.93Å; N382-L388 VanDerWaalsContact OD1-N 3.1Å; G386-L388 VanDerWaalsContact C-N 3.32Å; L388-G390 PolarHBondContact O-N 3.28Å
389D89.9Confident95.6Very high98 Ų9834.1 Ų34.152%0.52419%0.192SC..SBendtrans-65.8111.3169.6-15938.6000109.9R102 P103R102-D389 HydrophobicContact CB-CB 4.39Å; R102-D389 IonicContact NH1-OD1 3.51Å; P103-D389 PolarHBondContact O-N 3.48Å
390G90.8Very high95.6Very high53 Ų5334.3 Ų34.355%0.54619%0.193SC..  trans-150.6-175.7-174.300000111.4L388 P392L388-G390 PolarHBondContact O-N 3.28Å; G390-P392 WeakPolarHBondContact O-CD 3.44Å
391D93.6Very high95.6Very high82 Ų8232.9 Ų32.944%0.43919%0.187SC..  trans-62.9116.5-176.5-173.4-7.6000111.6K393 E394D391-K393 PolarHBondContact O-N 3.33Å; D391-K393 VanDerWaalsContact OD1-CB 3.27Å; D391-K393 WeakPolarHBondContact OD1-CB 3.43Å; D391-K393 WeakPolarHBondContact OD1-CG 3.41Å; D391-K393 PolarHBondContact OD1-N 3.01Å; D391-E394 HydrophobicContact CB-CG 4.4Å; D391-E394 PolarHBondContact O-N 3.35Å
392P92.3Very high95.6Very high85 Ų8532.7 Ų32.755%0.55219%0.186SC*.THydrogen-bonded Turntrans-60.3-17.5177-23.135.3000114R280 G390 E394 I395R280-P392 PolarHBondContact NH1-O 3.01Å; G390-P392 WeakPolarHBondContact O-CD 3.44Å; P392-E394 VanDerWaalsContact C-N 3.31Å; P392-I395 PolarHBondContact O-N 3.48Å
393K95.4Very high95.7Very high130 Ų13032 Ų3257%0.56518%0.182SC*.THydrogen-bonded Turntrans-67.7-27.7174-64.1176.7-178.6177.10113.4H277 D391H277-K393 PolarHBondContact CE1-O 2.88Å; H277-K393 PolarHBondContact ND1-O 3.46Å; D391-K393 PolarHBondContact O-N 3.33Å; D391-K393 VanDerWaalsContact OD1-CB 3.27Å; D391-K393 WeakPolarHBondContact OD1-CB 3.43Å; D391-K393 WeakPolarHBondContact OD1-CG 3.41Å; D391-K393 PolarHBondContact OD1-N 3.01Å
394E96.5Very high95.8Very high15 Ų1528.7 Ų28.77%0.0717%0.167CC..SBendtrans-80.6-16178.9-73.6-66.8105.900113.6H383 R384 D391 P392 S396 S625H383-E394 HydrophobicContact CB-CB 4.01Å; H383-E394 IonicContact ND1-OE2 3.45Å; H383-E394 CarbonylContact O-C 3.25Å; R384-E394 WeakPolarHBondContact CD-O 3.48Å; R384-E394 IonicContact CZ-OE2 3.1Å; R384-E394 PolarHBondContact NH1-O 2.98Å; R384-E394 IonicContact NH1-OE2 2.75Å; R384-E394 PolarHBondContact NH1-OE2 3.11Å; R384-E394 IonicContact NH2-OE2 3.24Å; D391-E394 HydrophobicContact CB-CG 4.4Å; D391-E394 PolarHBondContact O-N 3.35Å; P392-E394 VanDerWaalsContact C-N 3.31Å; E394-S396 PolarHBondContact O-N 3.49Å; E394-S625 PolarHBondContact OE1-OG 2.95Å; E394-S625 VanDerWaalsContact OE1-OG 3.05Å
395I96.6Very high95.8Very high67 Ų6728.4 Ų28.434%0.34417%0.166SC..  trans-69.8128.4-178.9-62.1177.7000109.9R280 H383 R384 P392R280-I395 WeakPolarHBondContact CD-O 3.22Å; H383-I395 PolarHBondContact O-N 3.23Å; R384-I395 WeakPolarHBondContact O-CA 3.46Å; R384-I395 WeakPolarHBondContact O-CG2 3.43Å; P392-I395 PolarHBondContact O-N 3.48Å
396S98Very high95.9Very high2 Ų228.3 Ų28.31%0.01417%0.165CC..  trans-164.4139-178.7-166.90000112.6I276 R384 E394 V398I276-S396 WeakPolarHBondContact CA-OG 3.31Å; I276-S396 WeakPolarHBondContact CB-OG 3.28Å; I276-S396 WeakPolarHBondContact O-CB 3.38Å; I276-S396 PolarHBondContact O-OG 3.21Å; R384-S396 PolarHBondContact O-N 3Å; E394-S396 PolarHBondContact O-N 3.49Å; S396-V398 PolarHBondContact O-N 3.49Å
397P97.6Very high96.1Very high4 Ų428 Ų283%0.02616%0.159CC..  trans-81.950.4-171.737-40.5000113.3L283 W309 D400 Q401L283-P397 HydrophobicContact CB-CG 3.99Å; L283-P397 HydrophobicContact CD2-CB 3.57Å; L283-P397 HydrophobicContact CD2-CG 3.67Å; L283-P397 HydrophobicContact CG-CG 4.45Å; W309-P397 HydrophobicContact CH2-CB 4.14Å; W309-P397 HydrophobicContact CH2-CG 3.8Å; W309-P397 HydrophobicContact CZ3-CG 3.84Å; P397-D400 WeakPolarHBondContact CA-OD2 3.44Å; P397-D400 HydrophobicContact CB-CB 4.06Å; P397-D400 PolarHBondContact O-N 3.17Å; P397-Q401 WeakPolarHBondContact O-CG 3.48Å; P397-Q401 PolarHBondContact O-N 2.87Å; P397-Q401 VanDerWaalsContact O-N 3.11Å
398V98.6Very high96.4Very high4 Ų427.9 Ų27.92%0.02416%0.158CC..Hα-helixtrans-67.1-43-168.9-178.90000111.8I276 D343 Q347 W374 S396 F402I276-V398 HydrophobicContact CG2-CG2 4.24Å; D343-V398 HydrophobicContact CB-CG1 4.01Å; D343-V398 HydrophobicContact CB-CG2 4.41Å; Q347-V398 HydrophobicContact CG-CG1 3.87Å; Q347-V398 PolarHBondContact NE2-O 3.42Å; W374-V398 HydrophobicContact CH2-CG1 4.4Å; W374-V398 HydrophobicContact CZ3-CG1 4.1Å; S396-V398 PolarHBondContact O-N 3.49Å; V398-F402 PolarHBondContact O-N 3Å
399I98.4Very high96.5Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-77.7-29.6176.9-155.8167.8000111.9W374 F381 Y385 Q401 F402 I403 I431W374-I399 HydrophobicContact CD2-CD1 3.9Å; W374-I399 HydrophobicContact CD2-CG1 4.09Å; W374-I399 HydrophobicContact CE3-CB 4.03Å; W374-I399 HydrophobicContact CE3-CD1 3.74Å; W374-I399 HydrophobicContact CE3-CG1 3.75Å; W374-I399 HydrophobicContact CG-CD1 4.31Å; W374-I399 HydrophobicContact CH2-CB 4.14Å; W374-I399 HydrophobicContact CH2-CG1 3.95Å; W374-I399 HydrophobicContact CZ2-CG1 4.3Å; W374-I399 HydrophobicContact CZ3-CB 3.63Å; W374-I399 HydrophobicContact CZ3-CD1 4.19Å; W374-I399 HydrophobicContact CZ3-CG1 3.67Å; F381-I399 HydrophobicContact CE1-CD1 3.72Å; F381-I399 HydrophobicContact CZ-CD1 3.86Å; Y385-I399 HydrophobicContact CE1-CG2 3.86Å; Y385-I399 HydrophobicContact CE2-CG2 4.14Å; Y385-I399 VanDerWaalsContact CZ-CG2 3.46Å; Y385-I399 WeakPolarHBondContact OH-CB 3.39Å; Y385-I399 VanDerWaalsContact OH-CG2 3.24Å; Y385-I399 WeakPolarHBondContact OH-CG2 3.34Å; Y385-I399 PolarHBondContact OH-N 2.91Å; I399-Q401 VanDerWaalsContact C-N 3.3Å; I399-Q401 PolarHBondContact O-N 3.16Å; I399-F402 HydrophobicContact CG1-CD1 4.15Å; I399-F402 CarbonylContact O-C 3.42Å; I399-F402 WeakPolarHBondContact O-CA 3.48Å; I399-F402 WeakPolarHBondContact O-CB 3.46Å; I399-F402 PolarHBondContact O-N 3.46Å; I399-I403 HydrophobicContact CG1-CD1 4.34Å; I399-I403 HydrophobicContact CG1-CG1 4.45Å; I399-I403 HydrophobicContact CG2-CD1 4.45Å; I399-I403 VanDerWaalsContact O-CG1 3.31Å; I399-I403 WeakPolarHBondContact O-CG1 3.4Å; I399-I403 PolarHBondContact O-N 2.87Å; I399-I431 HydrophobicContact CD1-CD1 4.16Å; I399-I431 HydrophobicContact CG2-CD1 3.58Å; I399-I431 HydrophobicContact CG2-CG2 4.36Å
400D98.1Very high96.7Very high7 Ų723 Ų234%0.03713%0.132CC..Hα-helixtrans-61.6-41174.3-51.2-100000110.7P397 F402 I403 E404 Q428 Y432P397-D400 WeakPolarHBondContact CA-OD2 3.44Å; P397-D400 HydrophobicContact CB-CB 4.06Å; P397-D400 PolarHBondContact O-N 3.17Å; D400-F402 VanDerWaalsContact C-N 3.3Å; D400-F402 PolarHBondContact O-N 3.18Å; D400-I403 PolarHBondContact O-N 2.91Å; D400-E404 PolarHBondContact O-N 3.3Å; D400-Q428 WeakPolarHBondContact OD1-CG 3.27Å; D400-Q428 PolarHBondContact OD1-NE2 3.36Å; D400-Y432 WeakPolarHBondContact OD1-CE2 3.41Å; D400-Y432 PolarHBondContact OD2-OH 3.43Å
401Q98.7Very high96.6Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-60.8-37.2171.8-71.1-178.1-36.300112.8M279 W309 I313 I316 P397 I399 C405M279-Q401 PolarHBondContact SD-NE2 3.35Å; W309-Q401 HydrophobicContact CH2-CG 3.29Å; W309-Q401 HydrophobicContact CZ2-CG 3.74Å; W309-Q401 HydrophobicContact CZ3-CG 3.83Å; I313-Q401 HydrophobicContact CD1-CB 3.81Å; I313-Q401 HydrophobicContact CD1-CG 3.87Å; I316-Q401 HydrophobicContact CD1-CB 3.79Å; I316-Q401 HydrophobicContact CD1-CG 4.38Å; P397-Q401 WeakPolarHBondContact O-CG 3.48Å; P397-Q401 PolarHBondContact O-N 2.87Å; P397-Q401 VanDerWaalsContact O-N 3.11Å; I399-Q401 VanDerWaalsContact C-N 3.3Å; I399-Q401 PolarHBondContact O-N 3.16Å; Q401-C405 PolarHBondContact O-N 3.25Å; Q401-C405 PolarHBondContact O-SG 2.78Å
402F98.8Very high96.4Very high0 Ų021.7 Ų21.70%011%0.109CC..Hα-helixtrans-68.7-45.3174.3165.1-111.1000111.7Q347 V351 L354 F366 L369 I370 W374 V398 I399 D400 E404 C405 V406Q347-F402 HydrophobicContact CG-CB 4.43Å; V351-F402 HydrophobicContact CG2-CD2 3.94Å; V351-F402 HydrophobicContact CG2-CE2 4.2Å; L354-F402 HydrophobicContact CD1-CE2 3.73Å; L354-F402 HydrophobicContact CD1-CZ 3.87Å; F366-F402 HydrophobicContact CE2-CE1 4.12Å; F366-F402 AromaticContact CE2-CZ 3.91Å; F366-F402 HydrophobicContact CE2-CZ 3.91Å; F366-F402 AromaticContact CZ-CE1 3.91Å; F366-F402 HydrophobicContact CZ-CE1 3.91Å; F366-F402 HydrophobicContact CZ-CZ 4.17Å; L369-F402 HydrophobicContact CD2-CZ 4.14Å; I370-F402 HydrophobicContact CG1-CE1 4.39Å; W374-F402 AromaticContact CE2-CD1 3.85Å; W374-F402 HydrophobicContact CH2-CB 3.54Å; W374-F402 HydrophobicContact CH2-CD1 4.26Å; W374-F402 HydrophobicContact CH2-CG 4Å; W374-F402 HydrophobicContact CZ2-CB 3.43Å; W374-F402 VanDerWaalsContact CZ2-CB 3.43Å; W374-F402 AromaticContact CZ2-CD1 3.5Å; W374-F402 HydrophobicContact CZ2-CD1 3.5Å; W374-F402 AromaticContact CZ2-CD2 3.98Å; W374-F402 HydrophobicContact CZ2-CD2 3.98Å; W374-F402 HydrophobicContact CZ2-CE1 4.24Å; W374-F402 AromaticContact CZ2-CG 3.34Å; W374-F402 HydrophobicContact CZ2-CG 3.34Å; W374-F402 AromaticContact NE1-CE1 3.92Å; V398-F402 PolarHBondContact O-N 3Å; I399-F402 HydrophobicContact CG1-CD1 4.15Å; I399-F402 CarbonylContact O-C 3.42Å; I399-F402 WeakPolarHBondContact O-CA 3.48Å; I399-F402 WeakPolarHBondContact O-CB 3.46Å; I399-F402 PolarHBondContact O-N 3.46Å; D400-F402 VanDerWaalsContact C-N 3.3Å; D400-F402 PolarHBondContact O-N 3.18Å; F402-E404 VanDerWaalsContact C-N 3.27Å; F402-E404 PolarHBondContact O-N 2.61Å; F402-C405 WeakPolarHBondContact O-CA 3.25Å; F402-C405 VanDerWaalsContact O-CB 3.31Å; F402-C405 WeakPolarHBondContact O-CB 3.49Å; F402-C405 PolarHBondContact O-N 3.25Å; F402-V406 HydrophobicContact CD2-CG2 4.32Å; F402-V406 HydrophobicContact CE1-CG2 4.29Å; F402-V406 HydrophobicContact CE2-CG2 3.85Å; F402-V406 HydrophobicContact CZ-CG2 3.84Å; F402-V406 WeakPolarHBondContact O-CG2 3.5Å; F402-V406 PolarHBondContact O-N 3.16Å
403I98.7Very high96.3Very high1 Ų118.7 Ų18.71%0.0059%0.087CC..Hα-helixtrans-60.6-39.2177.2-67.8169.5000110.1I399 D400 V406 W407 L424 I427 Q428 I431 W500I399-I403 HydrophobicContact CG1-CD1 4.34Å; I399-I403 HydrophobicContact CG1-CG1 4.45Å; I399-I403 HydrophobicContact CG2-CD1 4.45Å; I399-I403 VanDerWaalsContact O-CG1 3.31Å; I399-I403 WeakPolarHBondContact O-CG1 3.4Å; I399-I403 PolarHBondContact O-N 2.87Å; D400-I403 PolarHBondContact O-N 2.91Å; I403-V406 WeakPolarHBondContact O-CB 3.33Å; I403-V406 PolarHBondContact O-N 2.86Å; I403-W407 PolarHBondContact O-N 3.42Å; I403-L424 HydrophobicContact CG2-CB 3.82Å; I403-L424 HydrophobicContact CG2-CD1 4.46Å; I403-L424 HydrophobicContact CG2-CD2 4.31Å; I403-L424 HydrophobicContact CG2-CG 4.43Å; I403-I427 HydrophobicContact CD1-CG2 4.06Å; I403-Q428 HydrophobicContact CD1-CB 4.26Å; I403-I431 HydrophobicContact CD1-CD1 3.73Å; I403-W500 HydrophobicContact CG2-CH2 3.81Å; I403-W500 HydrophobicContact CG2-CZ3 3.94Å
404E98.4Very high96.1Very high0 Ų015.3 Ų15.30%08%0.078CC..Hα-helixtrans-67.7-40.3171.7-175.3172.1158.100112.3W309 L310 I313 D400 F402 V406 W407 Q408 W500 Y504W309-E404 PolarHBondContact NE1-OE2 3.38Å; L310-E404 WeakPolarHBondContact CD2-OE1 3.41Å; I313-E404 HydrophobicContact CD1-CB 4.08Å; I313-E404 HydrophobicContact CD1-CG 4.25Å; I313-E404 HydrophobicContact CG1-CG 4.4Å; I313-E404 HydrophobicContact CG2-CG 4.45Å; D400-E404 PolarHBondContact O-N 3.3Å; F402-E404 VanDerWaalsContact C-N 3.27Å; F402-E404 PolarHBondContact O-N 2.61Å; E404-V406 PolarHBondContact O-N 3.18Å; E404-W407 HydrophobicContact CG-CE3 4.45Å; E404-W407 PolarHBondContact O-N 3.02Å; E404-Q408 HydrophobicContact CG-CG 4.14Å; E404-Q408 VanDerWaalsContact O-CG 3.25Å; E404-Q408 WeakPolarHBondContact O-CG 3.46Å; E404-Q408 PolarHBondContact O-N 2.83Å; E404-Q408 PolarHBondContact OE1-NE2 2.86Å; E404-W500 HydrophobicContact CB-CE3 3.83Å; E404-W500 HydrophobicContact CB-CZ3 4.01Å; E404-W500 HydrophobicContact CG-CE3 3.87Å; E404-W500 HydrophobicContact CG-CZ3 4.5Å; E404-Y504 PolarHBondContact OE2-OH 2.99Å
405C98.5Very high95.9Very high0 Ų015.8 Ų15.80%08%0.083CC..Hα-helixtrans-54.4-40.4171.8-71.30000111.5M317 V351 Q401 F402 Q408 L409M317-C405 HydrophobicContact CE-CB 3.59Å; M317-C405 WeakPolarHBondContact CE-O 3.27Å; V351-C405 HydrophobicContact CG2-CB 3.96Å; Q401-C405 PolarHBondContact O-N 3.25Å; Q401-C405 PolarHBondContact O-SG 2.78Å; F402-C405 WeakPolarHBondContact O-CA 3.25Å; F402-C405 VanDerWaalsContact O-CB 3.31Å; F402-C405 WeakPolarHBondContact O-CB 3.49Å; F402-C405 PolarHBondContact O-N 3.25Å; C405-Q408 PolarHBondContact O-N 3Å; C405-L409 WeakPolarHBondContact O-CG 3.39Å; C405-L409 PolarHBondContact O-N 2.87Å; C405-L409 VanDerWaalsContact O-N 3.1Å
406V98.5Very high95.8Very high0 Ų012.6 Ų12.60%07%0.067CC..Hα-helixtrans-64.8-44.8175.3-176.80000111.1L354 F366 F402 I403 E404 Q408 L409 M410 F417 F419 L424L354-V406 HydrophobicContact CD1-CG2 3.71Å; F366-V406 HydrophobicContact CE2-CB 4.39Å; F366-V406 HydrophobicContact CE2-CG1 3.94Å; F366-V406 HydrophobicContact CE2-CG2 3.63Å; F366-V406 HydrophobicContact CZ-CB 4.47Å; F366-V406 HydrophobicContact CZ-CG1 4.23Å; F366-V406 HydrophobicContact CZ-CG2 3.86Å; F402-V406 HydrophobicContact CD2-CG2 4.32Å; F402-V406 HydrophobicContact CE1-CG2 4.29Å; F402-V406 HydrophobicContact CE2-CG2 3.85Å; F402-V406 HydrophobicContact CZ-CG2 3.84Å; F402-V406 WeakPolarHBondContact O-CG2 3.5Å; F402-V406 PolarHBondContact O-N 3.16Å; I403-V406 WeakPolarHBondContact O-CB 3.33Å; I403-V406 PolarHBondContact O-N 2.86Å; E404-V406 PolarHBondContact O-N 3.18Å; V406-Q408 PolarHBondContact O-N 3.24Å; V406-L409 WeakPolarHBondContact O-CB 3.49Å; V406-L409 PolarHBondContact O-N 3.03Å; V406-L409 VanDerWaalsContact O-N 3.17Å; V406-M410 HydrophobicContact CG1-SD 4.23Å; V406-M410 WeakPolarHBondContact O-CG 3.48Å; V406-M410 PolarHBondContact O-N 3.25Å; V406-F417 HydrophobicContact CG1-CE1 4.12Å; V406-F419 HydrophobicContact CG1-CE2 3.82Å; V406-F419 HydrophobicContact CG1-CZ 3.9Å; V406-L424 HydrophobicContact CB-CD1 4.21Å; V406-L424 HydrophobicContact CB-CD2 4.43Å; V406-L424 HydrophobicContact CG1-CD1 4.05Å; V406-L424 HydrophobicContact CG1-CD2 4.03Å
407W97.7Very high95.7Very high12 Ų1212.5 Ų12.55%0.0457%0.066CC..Hα-helixtrans-60.7-43.5175.3178.880.3000112.6I403 E404 L409 M410 E411 E421 L424 K498 W500I403-W407 PolarHBondContact O-N 3.42Å; E404-W407 HydrophobicContact CG-CE3 4.45Å; E404-W407 PolarHBondContact O-N 3.02Å; W407-L409 VanDerWaalsContact C-N 3.26Å; W407-L409 PolarHBondContact O-N 3.3Å; W407-M410 WeakPolarHBondContact O-CB 3.33Å; W407-M410 PolarHBondContact O-N 3.22Å; W407-M410 VanDerWaalsContact O-N 3.1Å; W407-E411 HydrophobicContact CD2-CG 4.07Å; W407-E411 HydrophobicContact CE3-CG 4.36Å; W407-E411 HydrophobicContact CH2-CG 4.02Å; W407-E411 HydrophobicContact CZ2-CG 3.69Å; W407-E411 HydrophobicContact CZ3-CG 4.34Å; W407-E411 WeakPolarHBondContact O-CG 3.47Å; W407-E411 PolarHBondContact O-N 3.07Å; W407-E421 PolarHBondContact NE1-OE2 2.87Å; W407-L424 HydrophobicContact CB-CD1 3.91Å; W407-K498 HydrophobicContact CH2-CB 3.71Å; W407-K498 HydrophobicContact CZ3-CB 3.93Å; W407-W500 HydrophobicContact CB-CD2 4.09Å; W407-W500 HydrophobicContact CB-CE3 4.01Å; W407-W500 HydrophobicContact CB-CH2 3.82Å; W407-W500 HydrophobicContact CB-CZ2 3.93Å; W407-W500 HydrophobicContact CB-CZ3 3.87Å; W407-W500 AromaticContact CD1-CE2 3.48Å; W407-W500 VanDerWaalsContact CD1-CE2 3.48Å; W407-W500 AromaticContact CD1-CZ2 3.67Å; W407-W500 AromaticContact CD1-NE1 3.54Å; W407-W500 HydrophobicContact CD2-CB 4.16Å; W407-W500 AromaticContact CD2-CD1 3.7Å; W407-W500 AromaticContact CD2-CD2 3.68Å; W407-W500 HydrophobicContact CD2-CD2 3.68Å; W407-W500 AromaticContact CD2-CE2 3.85Å; W407-W500 HydrophobicContact CD2-CE3 4.32Å; W407-W500 AromaticContact CD2-CG 3.61Å; W407-W500 HydrophobicContact CD2-CG 3.61Å; W407-W500 AromaticContact CD2-NE1 3.88Å; W407-W500 AromaticContact CE2-CD1 3.35Å; W407-W500 AromaticContact CE2-CG 3.76Å; W407-W500 AromaticContact CE2-NE1 3.58Å; W407-W500 HydrophobicContact CE3-CB 3.77Å; W407-W500 HydrophobicContact CE3-CD2 4.04Å; W407-W500 HydrophobicContact CE3-CE3 4.47Å; W407-W500 AromaticContact CE3-CG 3.74Å; W407-W500 HydrophobicContact CE3-CG 3.74Å; W407-W500 AromaticContact CG-CD2 3.69Å; W407-W500 HydrophobicContact CG-CD2 3.69Å; W407-W500 AromaticContact CG-CE2 3.51Å; W407-W500 HydrophobicContact CG-CE3 4.12Å; W407-W500 HydrophobicContact CG-CG 4.13Å; W407-W500 HydrophobicContact CG-CH2 4.17Å; W407-W500 AromaticContact CG-CZ2 3.78Å; W407-W500 HydrophobicContact CG-CZ2 3.78Å; W407-W500 HydrophobicContact CG-CZ3 4.34Å; W407-W500 AromaticContact CG-NE1 3.87Å; W407-W500 HydrophobicContact CH2-CB 3.96Å; W407-W500 HydrophobicContact CH2-CG 4.16Å; W407-W500 HydrophobicContact CZ2-CB 4.34Å; W407-W500 AromaticContact CZ2-CD1 3.59Å; W407-W500 HydrophobicContact CZ2-CG 4.05Å; W407-W500 HydrophobicContact CZ3-CB 3.66Å; W407-W500 HydrophobicContact CZ3-CG 4.02Å; W407-W500 AromaticContact NE1-CD1 3.63Å; W407-W500 AromaticContact NE1-CE2 3.79Å; W407-W500 AromaticContact NE1-NE1 3.34Å
408Q95.7Very high95.7Very high0 Ų014.7 Ų14.70%08%0.076CC..Hα-helixtrans-60.9-35175.7-59-78.7-6.600111.4I313 E404 C405 V406 Q412 F495 K498I313-Q408 HydrophobicContact CG2-CG 4.03Å; E404-Q408 HydrophobicContact CG-CG 4.14Å; E404-Q408 VanDerWaalsContact O-CG 3.25Å; E404-Q408 WeakPolarHBondContact O-CG 3.46Å; E404-Q408 PolarHBondContact O-N 2.83Å; E404-Q408 PolarHBondContact OE1-NE2 2.86Å; C405-Q408 PolarHBondContact O-N 3Å; V406-Q408 PolarHBondContact O-N 3.24Å; Q408-Q412 WeakPolarHBondContact O-CG 3.41Å; Q408-Q412 PolarHBondContact O-N 2.85Å; Q408-F495 HydrophobicContact CB-CZ 4.19Å; Q408-K498 PolarHBondContact NE2-O 3.1Å
409L95Very high95.7Very high0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-69.5-39.6173-69.3173.3000112.6M317 L355 C405 V406 W407 E411 Q412 F413 F417 L488M317-L409 HydrophobicContact CE-CD1 4.15Å; M317-L409 HydrophobicContact CE-CD2 3.99Å; M317-L409 HydrophobicContact CE-CG 3.7Å; M317-L409 HydrophobicContact SD-CD1 4.37Å; M317-L409 HydrophobicContact SD-CD2 3.75Å; M317-L409 HydrophobicContact SD-CG 4.08Å; L355-L409 HydrophobicContact CD2-CD1 4.17Å; L355-L409 HydrophobicContact CD2-CD2 3.82Å; C405-L409 WeakPolarHBondContact O-CG 3.39Å; C405-L409 PolarHBondContact O-N 2.87Å; C405-L409 VanDerWaalsContact O-N 3.1Å; V406-L409 WeakPolarHBondContact O-CB 3.49Å; V406-L409 PolarHBondContact O-N 3.03Å; V406-L409 VanDerWaalsContact O-N 3.17Å; W407-L409 VanDerWaalsContact C-N 3.26Å; W407-L409 PolarHBondContact O-N 3.3Å; L409-E411 VanDerWaalsContact C-N 3.3Å; L409-E411 PolarHBondContact O-N 2.81Å; L409-Q412 PolarHBondContact O-N 3.04Å; L409-F413 HydrophobicContact CD2-CE2 4.26Å; L409-F413 WeakPolarHBondContact O-CD2 3.34Å; L409-F413 PolarHBondContact O-N 3.4Å; L409-F417 HydrophobicContact CB-CE2 3.86Å; L409-F417 HydrophobicContact CB-CZ 3.68Å; L409-F417 HydrophobicContact CD1-CZ 4.31Å; L409-L488 HydrophobicContact CD2-CD1 3.77Å; L409-L488 HydrophobicContact CD2-CD2 4.3Å
410M94.1Very high95.5Very high21 Ų2115 Ų1510%0.1038%0.078CC..Hα-helixtrans-62-39.3174.2-68.1168.561.200111.4V406 W407 Q412 F413 P414 F417 F419 L424V406-M410 HydrophobicContact CG1-SD 4.23Å; V406-M410 WeakPolarHBondContact O-CG 3.48Å; V406-M410 PolarHBondContact O-N 3.25Å; W407-M410 WeakPolarHBondContact O-CB 3.33Å; W407-M410 PolarHBondContact O-N 3.22Å; W407-M410 VanDerWaalsContact O-N 3.1Å; M410-Q412 VanDerWaalsContact C-N 3.31Å; M410-Q412 PolarHBondContact O-N 2.9Å; M410-F413 CarbonylContact O-C 3.41Å; M410-F413 VanDerWaalsContact O-C 3.25Å; M410-F413 PolarHBondContact O-N 2.88Å; M410-P414 WeakPolarHBondContact O-CA 3.44Å; M410-F417 HydrophobicContact CB-CD2 4.28Å; M410-F417 HydrophobicContact CG-CB 4.05Å; M410-F417 HydrophobicContact CG-CD1 4.17Å; M410-F417 HydrophobicContact CG-CD2 3.5Å; M410-F417 HydrophobicContact CG-CE2 3.93Å; M410-F417 HydrophobicContact CG-CG 3.64Å; M410-F417 HydrophobicContact CG-CZ 4.42Å; M410-F419 HydrophobicContact CE-CD2 4.26Å; M410-F419 WeakPolarHBondContact CE-O 3.3Å; M410-F419 HydrophobicContact SD-CD2 3.97Å; M410-F419 HydrophobicContact SD-CE2 3.64Å; M410-L424 HydrophobicContact SD-CD1 3.6Å; M410-L424 HydrophobicContact SD-CG 4.3Å
411E90.6Very high95.3Very high60 Ų6016.4 Ų16.428%0.288%0.084SC..Hα-helixtrans-65.2-28.9175-75-70.5103.700113.6W407 L409 K498W407-E411 HydrophobicContact CD2-CG 4.07Å; W407-E411 HydrophobicContact CE3-CG 4.36Å; W407-E411 HydrophobicContact CH2-CG 4.02Å; W407-E411 HydrophobicContact CZ2-CG 3.69Å; W407-E411 HydrophobicContact CZ3-CG 4.34Å; W407-E411 WeakPolarHBondContact O-CG 3.47Å; W407-E411 PolarHBondContact O-N 3.07Å; L409-E411 VanDerWaalsContact C-N 3.3Å; L409-E411 PolarHBondContact O-N 2.81Å; E411-K498 HydrophobicContact CG-CD 4.46Å; E411-K498 VanDerWaalsContact OE2-CD 3.25Å; E411-K498 WeakPolarHBondContact OE2-CD 3.42Å; E411-K498 WeakPolarHBondContact OE2-CE 3.25Å; E411-K498 IonicContact OE2-NZ 3.13Å; E411-K498 PolarHBondContact OE2-NZ 2.63Å
412Q88.4Confident95.2Very high48 Ų4821.8 Ų21.822%0.22410%0.104CC..Hα-helixtrans-85.4-31.1173.3-60.9-38.5-7400113.2Q408 L409 M410 L488 F495Q408-Q412 WeakPolarHBondContact O-CG 3.41Å; Q408-Q412 PolarHBondContact O-N 2.85Å; L409-Q412 PolarHBondContact O-N 3.04Å; M410-Q412 VanDerWaalsContact C-N 3.31Å; M410-Q412 PolarHBondContact O-N 2.9Å; Q412-L488 HydrophobicContact CG-CD2 4.31Å; Q412-F495 HydrophobicContact CG-CD2 3.57Å; Q412-F495 HydrophobicContact CG-CE2 3.26Å; Q412-F495 HydrophobicContact CG-CZ 3.94Å
413F91.1Very high95.1Very high22 Ų2221.8 Ų21.810%0.09610%0.104CC..  trans-128.171.4-175.3-53.2-72000111.2L409 M410 C415 A416 Q481 L486 L488L409-F413 HydrophobicContact CD2-CE2 4.26Å; L409-F413 WeakPolarHBondContact O-CD2 3.34Å; L409-F413 PolarHBondContact O-N 3.4Å; M410-F413 CarbonylContact O-C 3.41Å; M410-F413 VanDerWaalsContact O-C 3.25Å; M410-F413 PolarHBondContact O-N 2.88Å; F413-C415 PolarHBondContact O-N 2.94Å; F413-A416 HydrophobicContact CB-CB 3.49Å; F413-A416 VanDerWaalsContact CB-CB 3.49Å; F413-A416 HydrophobicContact CG-CB 4.47Å; F413-A416 WeakPolarHBondContact O-CB 3.45Å; F413-A416 PolarHBondContact O-N 2.9Å; F413-Q481 HydrophobicContact CD1-CG 4.4Å; F413-L486 HydrophobicContact CD1-CD2 4.12Å; F413-L486 HydrophobicContact CD2-CD1 3.9Å; F413-L486 HydrophobicContact CD2-CD2 4.24Å; F413-L486 HydrophobicContact CD2-CG 4.48Å; F413-L486 HydrophobicContact CE1-CD2 4.32Å; F413-L486 HydrophobicContact CE2-CB 4.09Å; F413-L486 HydrophobicContact CE2-CD1 4.2Å; F413-L486 HydrophobicContact CE2-CD2 4.41Å; F413-L486 HydrophobicContact CE2-CG 4.48Å; F413-L486 HydrophobicContact CG-CD1 4.4Å; F413-L486 HydrophobicContact CG-CD2 4.08Å; F413-L486 HydrophobicContact CZ-CB 4.25Å; F413-L486 HydrophobicContact CZ-CD2 4.45Å; F413-L488 HydrophobicContact CE2-CD2 3.55Å; F413-L488 HydrophobicContact CE2-CG 3.83Å; F413-L488 HydrophobicContact CZ-CD2 3.72Å; F413-L488 HydrophobicContact CZ-CG 3.87Å
414P90.1Very high95.1Very high58 Ų5821.8 Ų21.838%0.37710%0.104SC..THydrogen-bonded Turntrans-60.7-21.3-170.8-26.436.6000114.9M410 N472 L474M410-P414 WeakPolarHBondContact O-CA 3.44Å; P414-N472 PolarHBondContact O-ND2 2.69Å; P414-L474 HydrophobicContact CB-CD1 4.01Å
415C91.8Very high95Very high25 Ų2523 Ų2317%0.16911%0.111CC..THydrogen-bonded Turntrans-96.4-9.5178.7-52.70000113.3F413 L474 F475 T482F413-C415 PolarHBondContact O-N 2.94Å; C415-L474 WeakPolarHBondContact CA-O 3.36Å; C415-L474 WeakPolarHBondContact CB-O 3.31Å; C415-F475 WeakPolarHBondContact O-CD2 3.3Å; C415-T482 WeakPolarHBondContact O-CG2 3.37Å
416A94.5Very high95Very high0 Ų025.3 Ų25.30%012%0.121CC..SBendtrans-78.8-17.5-167.500000116R361 F413 Q481 L486R361-A416 WeakPolarHBondContact CB-O 3.41Å; R361-A416 PolarHBondContact NH1-O 2.86Å; F413-A416 HydrophobicContact CB-CB 3.49Å; F413-A416 VanDerWaalsContact CB-CB 3.49Å; F413-A416 HydrophobicContact CG-CB 4.47Å; F413-A416 WeakPolarHBondContact O-CB 3.45Å; F413-A416 PolarHBondContact O-N 2.9Å; A416-Q481 HydrophobicContact CB-CB 4.08Å; A416-Q481 WeakPolarHBondContact CB-O 3.4Å; A416-L486 HydrophobicContact CB-CD1 4.2Å; A416-L486 HydrophobicContact CB-CD2 4.1Å
417F96.9Very high94.9Very high1 Ų125.3 Ų25.30%0.00412%0.121CC..  trans-119.3132.1-172.4-65.7-95.5000110L354 R361 V406 L409 M410 F419 N472 F475 L486L354-F417 HydrophobicContact CD2-CE1 4.38Å; R361-F417 HydrophobicContact CB-CD1 3.8Å; R361-F417 HydrophobicContact CB-CE1 4.13Å; R361-F417 HydrophobicContact CB-CG 4.37Å; R361-F417 HydrophobicContact CG-CD1 3.9Å; R361-F417 HydrophobicContact CG-CE1 3.67Å; R361-F417 HydrophobicContact CG-CZ 4.24Å; R361-F417 WeakPolarHBondContact O-CA 3.44Å; V406-F417 HydrophobicContact CG1-CE1 4.12Å; L409-F417 HydrophobicContact CB-CE2 3.86Å; L409-F417 HydrophobicContact CB-CZ 3.68Å; L409-F417 HydrophobicContact CD1-CZ 4.31Å; M410-F417 HydrophobicContact CB-CD2 4.28Å; M410-F417 HydrophobicContact CG-CB 4.05Å; M410-F417 HydrophobicContact CG-CD1 4.17Å; M410-F417 HydrophobicContact CG-CD2 3.5Å; M410-F417 HydrophobicContact CG-CE2 3.93Å; M410-F417 HydrophobicContact CG-CG 3.64Å; M410-F417 HydrophobicContact CG-CZ 4.42Å; F417-F419 HydrophobicContact CB-CE2 4.48Å; F417-F419 HydrophobicContact CB-CZ 4.48Å; F417-F419 AromaticContact CD1-CE1 3.99Å; F417-F419 HydrophobicContact CD1-CE1 3.99Å; F417-F419 HydrophobicContact CD1-CE2 4.03Å; F417-F419 AromaticContact CD1-CZ 3.52Å; F417-F419 HydrophobicContact CD1-CZ 3.52Å; F417-F419 HydrophobicContact CE1-CZ 4.2Å; F417-F419 HydrophobicContact CG-CZ 4.41Å; F417-F419 PolarHBondContact O-N 3.29Å; F417-N472 WeakPolarHBondContact O-CB 3.41Å; F417-N472 PolarHBondContact O-ND2 3.24Å; F417-F475 WeakPolarHBondContact O-CD2 3.23Å; F417-L486 HydrophobicContact CE2-CD1 4.39Å; F417-L486 HydrophobicContact CZ-CD1 4.45Å
418E97.3Very high94.9Very high49 Ų4924.8 Ų24.823%0.22912%0.119CC..SBendtrans-68.6-24.8178.3-171.7-177.4-148.200111.9R361 T362 L363 L471 N472 F475R361-E418 PolarHBondContact O-N 3.47Å; T362-E418 VanDerWaalsContact CA-OE2 3.29Å; T362-E418 WeakPolarHBondContact CA-OE2 3.5Å; T362-E418 VanDerWaalsContact CB-OE2 3.23Å; T362-E418 WeakPolarHBondContact CB-OE2 3.31Å; L363-E418 HydrophobicContact CD1-CG 4.49Å; L363-E418 HydrophobicContact CG-CG 4.46Å; L363-E418 PolarHBondContact N-OE2 3.5Å; E418-L471 HydrophobicContact CG-CD2 3.88Å; E418-L471 WeakPolarHBondContact O-CA 3.38Å; E418-N472 WeakPolarHBondContact O-CB 3.01Å; E418-N472 PolarHBondContact O-N 3.23Å; E418-F475 HydrophobicContact CB-CD1 4.11Å; E418-F475 HydrophobicContact CB-CD2 4.13Å; E418-F475 HydrophobicContact CB-CE1 4.1Å; E418-F475 HydrophobicContact CB-CE2 4.1Å; E418-F475 HydrophobicContact CB-CG 4.12Å; E418-F475 HydrophobicContact CB-CZ 4.09Å; E418-F475 HydrophobicContact CG-CD1 3.98Å; E418-F475 HydrophobicContact CG-CE1 4.03Å; E418-F475 HydrophobicContact CG-CG 4.41Å; E418-F475 HydrophobicContact CG-CZ 4.49Å
419F97.6Very high94.9Very high0 Ų027.1 Ų27.10%013%0.13CC..BIsolated β-bridgetrans-101.7152.3-175.955.5-98.5000113.7L363 F366 V406 M410 F417 F423 L424 Y470L363-F419 HydrophobicContact CD2-CB 3.59Å; L363-F419 HydrophobicContact CG-CB 4Å; F366-F419 HydrophobicContact CB-CD1 4.27Å; F366-F419 HydrophobicContact CB-CE1 3.62Å; F366-F419 HydrophobicContact CB-CZ 4.18Å; F366-F419 HydrophobicContact CD1-CZ 4.38Å; F366-F419 AromaticContact CD2-CE1 3.96Å; F366-F419 HydrophobicContact CD2-CE1 3.96Å; F366-F419 AromaticContact CD2-CZ 3.67Å; F366-F419 HydrophobicContact CD2-CZ 3.67Å; F366-F419 HydrophobicContact CE2-CZ 4.12Å; F366-F419 AromaticContact CG-CE1 3.8Å; F366-F419 HydrophobicContact CG-CE1 3.8Å; F366-F419 AromaticContact CG-CZ 3.82Å; F366-F419 HydrophobicContact CG-CZ 3.82Å; V406-F419 HydrophobicContact CG1-CE2 3.82Å; V406-F419 HydrophobicContact CG1-CZ 3.9Å; M410-F419 HydrophobicContact CE-CD2 4.26Å; M410-F419 WeakPolarHBondContact CE-O 3.3Å; M410-F419 HydrophobicContact SD-CD2 3.97Å; M410-F419 HydrophobicContact SD-CE2 3.64Å; F417-F419 HydrophobicContact CB-CE2 4.48Å; F417-F419 HydrophobicContact CB-CZ 4.48Å; F417-F419 AromaticContact CD1-CE1 3.99Å; F417-F419 HydrophobicContact CD1-CE1 3.99Å; F417-F419 HydrophobicContact CD1-CE2 4.03Å; F417-F419 AromaticContact CD1-CZ 3.52Å; F417-F419 HydrophobicContact CD1-CZ 3.52Å; F417-F419 HydrophobicContact CE1-CZ 4.2Å; F417-F419 HydrophobicContact CG-CZ 4.41Å; F417-F419 PolarHBondContact O-N 3.29Å; F419-F423 HydrophobicContact CB-CB 4.02Å; F419-F423 HydrophobicContact CB-CD1 3.52Å; F419-F423 HydrophobicContact CB-CE1 4.11Å; F419-F423 HydrophobicContact CB-CG 3.92Å; F419-F423 HydrophobicContact CD1-CD1 4.09Å; F419-F423 HydrophobicContact CD1-CE1 4.04Å; F419-F423 AromaticContact CD2-CD1 3.64Å; F419-F423 HydrophobicContact CD2-CD1 3.64Å; F419-F423 HydrophobicContact CD2-CE1 4.34Å; F419-F423 HydrophobicContact CE2-CD1 4.34Å; F419-F423 AromaticContact CG-CD1 3.47Å; F419-F423 HydrophobicContact CG-CD1 3.47Å; F419-F423 VanDerWaalsContact CG-CD1 3.47Å; F419-F423 AromaticContact CG-CE1 3.91Å; F419-F423 HydrophobicContact CG-CE1 3.91Å; F419-F423 HydrophobicContact CG-CG 4.34Å; F419-L424 HydrophobicContact CD2-CD2 4.29Å; F419-L424 HydrophobicContact CD2-CG 4.46Å; F419-L424 HydrophobicContact CE2-CD2 3.8Å; F419-L424 HydrophobicContact CE2-CG 4.25Å; F419-Y470 CarbonylContact C-O 3.59Å; F419-Y470 WeakPolarHBondContact CA-O 3.02Å
420N95.1Very high95.1Very high12 Ų1228 Ų286%0.06413%0.134CC..  trans-97176179.56828.9000112.9R422 F423 D469 Y470 L471N420-R422 VanDerWaalsContact C-N 3.28Å; N420-R422 PolarHBondContact O-N 3.11Å; N420-R422 WeakPolarHBondContact OD1-CB 3.34Å; N420-R422 PolarHBondContact OD1-N 3.49Å; N420-R422 VanDerWaalsContact OD1-N 3.14Å; N420-F423 VanDerWaalsContact O-CB 3.31Å; N420-F423 WeakPolarHBondContact O-CB 3.48Å; N420-F423 PolarHBondContact O-N 3.25Å; N420-F423 PolarHBondContact OD1-N 2.8Å; N420-D469 PolarHBondContact ND2-O 3.29Å; N420-Y470 VanDerWaalsContact CG-O 3.29Å; N420-Y470 PolarHBondContact N-O 3.17Å; N420-Y470 VanDerWaalsContact ND2-C 3.26Å; N420-Y470 WeakPolarHBondContact ND2-CA 3.47Å; N420-Y470 PolarHBondContact ND2-O 3.18Å; N420-L471 PolarHBondContact ND2-O 2.61Å; N420-L471 VanDerWaalsContact ND2-O 3.09Å
421E95.1Very high95.2Very high35 Ų3527 Ų2716%0.16413%0.129CC..Hα-helixtrans-59.7-35.3-178.2-175178.6160.300113.2W407 F423 L424 I425 W500 G502W407-E421 PolarHBondContact NE1-OE2 2.87Å; E421-F423 VanDerWaalsContact C-N 3.25Å; E421-F423 PolarHBondContact O-N 3.01Å; E421-L424 WeakPolarHBondContact O-CB 3.44Å; E421-L424 PolarHBondContact O-N 3.18Å; E421-L424 VanDerWaalsContact O-N 3.12Å; E421-I425 HydrophobicContact CG-CD1 3.91Å; E421-I425 HydrophobicContact CG-CG1 4.46Å; E421-I425 PolarHBondContact O-N 2.95Å; E421-I425 VanDerWaalsContact O-N 3.07Å; E421-W500 HydrophobicContact CG-CZ2 3.95Å; E421-W500 PolarHBondContact OE1-NE1 3.25Å; E421-G502 WeakPolarHBondContact OE1-CA 3.32Å
422R95Very high95.5Very high114 Ų11425 Ų2543%0.4312%0.119SC..Hα-helixtrans-61.7-34179.9-172.8177174.5-157.8-12.3111.9N420 I425 H426 D469 Y470N420-R422 VanDerWaalsContact C-N 3.28Å; N420-R422 PolarHBondContact O-N 3.11Å; N420-R422 WeakPolarHBondContact OD1-CB 3.34Å; N420-R422 PolarHBondContact OD1-N 3.49Å; N420-R422 VanDerWaalsContact OD1-N 3.14Å; R422-I425 PolarHBondContact O-N 2.88Å; R422-H426 PolarHBondContact NE-NE2 3.26Å; R422-H426 WeakPolarHBondContact O-CB 3.15Å; R422-H426 PolarHBondContact O-CD2 3.28Å; R422-H426 PolarHBondContact O-N 3.1Å; R422-D469 IonicContact CZ-OD2 2.95Å; R422-D469 VanDerWaalsContact CZ-OD2 3.31Å; R422-D469 IonicContact NH1-OD2 2.74Å; R422-D469 PolarHBondContact NH1-OD2 3.18Å; R422-D469 VanDerWaalsContact NH1-OD2 3.1Å; R422-D469 IonicContact NH2-OD2 3.81Å; R422-D469 PolarHBondContact NH2-OD2 3Å; R422-Y470 HydrophobicContact CG-CE1 4.34Å
423F98.1Very high95.8Very high0 Ų022.7 Ų22.70%011%0.109CC..Hα-helixtrans-59.1-47.4173.7-174.5-120.6000112.1L363 F366 M367 F419 N420 E421 H426 I427 L463 Y470L363-F423 HydrophobicContact CD2-CD1 4.1Å; L363-F423 HydrophobicContact CD2-CD2 3.69Å; L363-F423 HydrophobicContact CD2-CE1 3.94Å; L363-F423 HydrophobicContact CD2-CE2 3.54Å; L363-F423 HydrophobicContact CD2-CG 3.96Å; L363-F423 HydrophobicContact CD2-CZ 3.66Å; F366-F423 HydrophobicContact CB-CE1 4.25Å; F366-F423 HydrophobicContact CD1-CD1 4.4Å; F366-F423 AromaticContact CD1-CE1 3.62Å; F366-F423 HydrophobicContact CD1-CE1 3.62Å; F366-F423 HydrophobicContact CD1-CZ 4.42Å; F366-F423 HydrophobicContact CE1-CE1 4.41Å; F366-F423 HydrophobicContact CG-CE1 4.26Å; M367-F423 HydrophobicContact CE-CE2 3.64Å; M367-F423 HydrophobicContact CE-CZ 3.68Å; M367-F423 HydrophobicContact CG-CZ 4.13Å; F419-F423 HydrophobicContact CB-CB 4.02Å; F419-F423 HydrophobicContact CB-CD1 3.52Å; F419-F423 HydrophobicContact CB-CE1 4.11Å; F419-F423 HydrophobicContact CB-CG 3.92Å; F419-F423 HydrophobicContact CD1-CD1 4.09Å; F419-F423 HydrophobicContact CD1-CE1 4.04Å; F419-F423 AromaticContact CD2-CD1 3.64Å; F419-F423 HydrophobicContact CD2-CD1 3.64Å; F419-F423 HydrophobicContact CD2-CE1 4.34Å; F419-F423 HydrophobicContact CE2-CD1 4.34Å; F419-F423 AromaticContact CG-CD1 3.47Å; F419-F423 HydrophobicContact CG-CD1 3.47Å; F419-F423 VanDerWaalsContact CG-CD1 3.47Å; F419-F423 AromaticContact CG-CE1 3.91Å; F419-F423 HydrophobicContact CG-CE1 3.91Å; F419-F423 HydrophobicContact CG-CG 4.34Å; N420-F423 VanDerWaalsContact O-CB 3.31Å; N420-F423 WeakPolarHBondContact O-CB 3.48Å; N420-F423 PolarHBondContact O-N 3.25Å; N420-F423 PolarHBondContact OD1-N 2.8Å; E421-F423 VanDerWaalsContact C-N 3.25Å; E421-F423 PolarHBondContact O-N 3.01Å; F423-H426 PolarHBondContact O-N 2.98Å; F423-I427 HydrophobicContact CD1-CD1 3.98Å; F423-I427 HydrophobicContact CD2-CD1 4.41Å; F423-I427 HydrophobicContact CE1-CD1 3.65Å; F423-I427 HydrophobicContact CE2-CD1 4.09Å; F423-I427 HydrophobicContact CG-CD1 4.37Å; F423-I427 HydrophobicContact CZ-CD1 3.71Å; F423-I427 WeakPolarHBondContact O-CG1 3.3Å; F423-I427 PolarHBondContact O-N 3.45Å; F423-L463 HydrophobicContact CD2-CD1 4.38Å; F423-L463 HydrophobicContact CE2-CB 4.28Å; F423-L463 HydrophobicContact CE2-CD1 3.84Å; F423-Y470 HydrophobicContact CB-CD1 3.98Å; F423-Y470 HydrophobicContact CB-CG 4.13Å; F423-Y470 HydrophobicContact CD2-CD1 4.13Å; F423-Y470 AromaticContact CD2-CD2 3.98Å; F423-Y470 HydrophobicContact CD2-CD2 3.98Å; F423-Y470 AromaticContact CD2-CG 3.72Å; F423-Y470 HydrophobicContact CD2-CG 3.72Å; F423-Y470 HydrophobicContact CG-CG 4.36Å
424L98.2Very high96Very high0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-64.4-43.8178.3-64.2-173.7000111.7F366 I403 V406 W407 M410 F419 E421 H426 I427 Q428 W500F366-L424 HydrophobicContact CE1-CD2 3.83Å; F366-L424 HydrophobicContact CZ-CD2 3.89Å; I403-L424 HydrophobicContact CG2-CB 3.82Å; I403-L424 HydrophobicContact CG2-CD1 4.46Å; I403-L424 HydrophobicContact CG2-CD2 4.31Å; I403-L424 HydrophobicContact CG2-CG 4.43Å; V406-L424 HydrophobicContact CB-CD1 4.21Å; V406-L424 HydrophobicContact CB-CD2 4.43Å; V406-L424 HydrophobicContact CG1-CD1 4.05Å; V406-L424 HydrophobicContact CG1-CD2 4.03Å; W407-L424 HydrophobicContact CB-CD1 3.91Å; M410-L424 HydrophobicContact SD-CD1 3.6Å; M410-L424 HydrophobicContact SD-CG 4.3Å; F419-L424 HydrophobicContact CD2-CD2 4.29Å; F419-L424 HydrophobicContact CD2-CG 4.46Å; F419-L424 HydrophobicContact CE2-CD2 3.8Å; F419-L424 HydrophobicContact CE2-CG 4.25Å; E421-L424 WeakPolarHBondContact O-CB 3.44Å; E421-L424 PolarHBondContact O-N 3.18Å; E421-L424 VanDerWaalsContact O-N 3.12Å; L424-H426 VanDerWaalsContact C-N 3.33Å; L424-H426 PolarHBondContact O-N 2.73Å; L424-I427 PolarHBondContact O-N 2.98Å; L424-Q428 WeakPolarHBondContact O-CB 3.35Å; L424-Q428 PolarHBondContact O-N 3.13Å; L424-W500 HydrophobicContact CB-CH2 3.92Å; L424-W500 HydrophobicContact CB-CZ2 4.32Å; L424-W500 HydrophobicContact CD1-CH2 4.13Å
425I96.3Very high96.3Very high27 Ų2720.7 Ų20.714%0.13810%0.095CC..Hα-helixtrans-63.3-38.7176.8-65.3168.3000111.3E421 R422 Q428 H429 W500 G502 M503E421-I425 HydrophobicContact CG-CD1 3.91Å; E421-I425 HydrophobicContact CG-CG1 4.46Å; E421-I425 PolarHBondContact O-N 2.95Å; E421-I425 VanDerWaalsContact O-N 3.07Å; R422-I425 PolarHBondContact O-N 2.88Å; I425-Q428 PolarHBondContact O-N 3.1Å; I425-H429 WeakPolarHBondContact O-CB 3.31Å; I425-H429 PolarHBondContact O-N 3.02Å; I425-W500 HydrophobicContact CG1-CZ2 4.04Å; I425-G502 VanDerWaalsContact CD1-O 3.27Å; I425-G502 WeakPolarHBondContact CD1-O 3.21Å; I425-M503 HydrophobicContact CG1-CE 3.96Å
426H97.3Very high96.6Very high48 Ų4820 Ų2022%0.2229%0.089CC..Hα-helixtrans-69.6-39.2177.1-80.2-147.6000112.1R422 F423 L424 H429 H430 L463 Y470R422-H426 PolarHBondContact NE-NE2 3.26Å; R422-H426 WeakPolarHBondContact O-CB 3.15Å; R422-H426 PolarHBondContact O-CD2 3.28Å; R422-H426 PolarHBondContact O-N 3.1Å; F423-H426 PolarHBondContact O-N 2.98Å; L424-H426 VanDerWaalsContact C-N 3.33Å; L424-H426 PolarHBondContact O-N 2.73Å; H426-H429 PolarHBondContact O-N 3.23Å; H426-H430 PolarHBondContact O-CD2 3.42Å; H426-H430 PolarHBondContact O-N 2.86Å; H426-L463 HydrophobicContact CB-CD2 4.33Å; H426-Y470 HydrophobicContact CB-CE1 4.33Å; H426-Y470 AromaticContact CE1-CE1 3.91Å; H426-Y470 AromaticContact CG-CE1 3.92Å; H426-Y470 AromaticContact ND1-CE1 3.43Å; H426-Y470 WeakPolarHBondContact ND1-CE1 3.29Å; H426-Y470 AromaticContact ND1-CZ 3.55Å; H426-Y470 PolarHBondContact ND1-OH 3.21Å
427I98.3Very high96.7Very high0 Ų020 Ų200%09%0.089CC..Hα-helixtrans-61.7-49172.1-70.2170.8000110.3F366 I370 I403 F423 L424 H429 H430 I431 F439 W460 L463F366-I427 HydrophobicContact CD1-CD1 3.91Å; F366-I427 HydrophobicContact CE1-CD1 3.81Å; I370-I427 HydrophobicContact CD1-CD1 4.37Å; I370-I427 HydrophobicContact CD1-CG2 4.21Å; I403-I427 HydrophobicContact CD1-CG2 4.06Å; F423-I427 HydrophobicContact CD1-CD1 3.98Å; F423-I427 HydrophobicContact CD2-CD1 4.41Å; F423-I427 HydrophobicContact CE1-CD1 3.65Å; F423-I427 HydrophobicContact CE2-CD1 4.09Å; F423-I427 HydrophobicContact CG-CD1 4.37Å; F423-I427 HydrophobicContact CZ-CD1 3.71Å; F423-I427 WeakPolarHBondContact O-CG1 3.3Å; F423-I427 PolarHBondContact O-N 3.45Å; L424-I427 PolarHBondContact O-N 2.98Å; I427-H429 VanDerWaalsContact C-N 3.34Å; I427-H429 PolarHBondContact O-N 3.45Å; I427-H430 PolarHBondContact O-N 3.32Å; I427-H430 VanDerWaalsContact O-N 3.08Å; I427-I431 HydrophobicContact CG2-CD1 4.01Å; I427-I431 WeakPolarHBondContact O-CD1 3.42Å; I427-I431 WeakPolarHBondContact O-CG1 2.91Å; I427-I431 PolarHBondContact O-N 3.37Å; I427-F439 HydrophobicContact CG2-CZ 4.27Å; I427-W460 HydrophobicContact CD1-CZ3 4.17Å; I427-W460 HydrophobicContact CG1-CZ3 4.23Å; I427-L463 HydrophobicContact CD1-CD1 4.47Å; I427-L463 HydrophobicContact CG1-CD1 3.84Å
428Q96.9Very high96.8Very high1 Ų120 Ų201%0.0059%0.089CC..Hα-helixtrans-55.1-48.6176.3-166.8-85-18.200111.5D400 I403 L424 I425 H430 I431 Y432 M503D400-Q428 WeakPolarHBondContact OD1-CG 3.27Å; D400-Q428 PolarHBondContact OD1-NE2 3.36Å; I403-Q428 HydrophobicContact CD1-CB 4.26Å; L424-Q428 WeakPolarHBondContact O-CB 3.35Å; L424-Q428 PolarHBondContact O-N 3.13Å; I425-Q428 PolarHBondContact O-N 3.1Å; Q428-H430 VanDerWaalsContact C-N 3.33Å; Q428-H430 PolarHBondContact O-N 3.24Å; Q428-I431 PolarHBondContact O-N 3.38Å; Q428-Y432 VanDerWaalsContact NE2-CE2 3.31Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.48Å; Q428-M503 HydrophobicContact CB-CE 3.77Å; Q428-M503 HydrophobicContact CB-SD 4.34Å; Q428-M503 HydrophobicContact CG-CE 3.74Å; Q428-M503 HydrophobicContact CG-SD 3.88Å
429H96.2Very high96.8Very high49 Ų4918 Ų1823%0.2278%0.079CC..Hα-helixtrans-57-46.3175.3177.369.4000111.7Q54 I425 H426 I427 I431 Y432 S433Q54-H429 PolarHBondContact NE2-CE1 3.02Å; Q54-H429 PolarHBondContact NE2-ND1 3.38Å; Q54-H429 VanDerWaalsContact NE2-ND1 3.14Å; Q54-H429 PolarHBondContact NE2-O 3.26Å; I425-H429 WeakPolarHBondContact O-CB 3.31Å; I425-H429 PolarHBondContact O-N 3.02Å; H426-H429 PolarHBondContact O-N 3.23Å; I427-H429 VanDerWaalsContact C-N 3.34Å; I427-H429 PolarHBondContact O-N 3.45Å; H429-I431 PolarHBondContact O-N 3.07Å; H429-Y432 PolarHBondContact O-N 3.46Å; H429-S433 PolarHBondContact O-N 3.1Å
430H97.6Very high96.7Very high17 Ų1718.1 Ų18.18%0.0798%0.08CC..Hα-helixtrans-74-24.5-173.5-75.8-56.1000115.1H426 I427 Q428 Y432 S433 Q435 F436 L459H426-H430 PolarHBondContact O-CD2 3.42Å; H426-H430 PolarHBondContact O-N 2.86Å; I427-H430 PolarHBondContact O-N 3.32Å; I427-H430 VanDerWaalsContact O-N 3.08Å; Q428-H430 VanDerWaalsContact C-N 3.33Å; Q428-H430 PolarHBondContact O-N 3.24Å; H430-Y432 PolarHBondContact O-N 3.02Å; H430-S433 VanDerWaalsContact CA-OG 3.31Å; H430-S433 WeakPolarHBondContact CA-OG 3.45Å; H430-S433 PolarHBondContact ND1-OG 2.93Å; H430-S433 PolarHBondContact O-N 3.44Å; H430-S433 PolarHBondContact O-OG 2.93Å; H430-Q435 PolarHBondContact CE1-OE1 3.07Å; H430-F436 HydrophobicContact CB-CD2 4.44Å; H430-F436 AromaticContact CE1-CE2 3.63Å; H430-F436 AromaticContact CG-CD2 3.99Å; H430-F436 AromaticContact ND1-CD2 3.72Å; H430-F436 AromaticContact ND1-CE2 3.67Å; H430-F436 AromaticContact NE2-CE2 3.97Å; H430-L459 HydrophobicContact CB-CD1 3.81Å; H430-L459 HydrophobicContact CB-CD2 3.79Å; H430-L459 HydrophobicContact CB-CG 4.43Å; H430-L459 VanDerWaalsContact CD2-CD1 3.45Å; H430-L459 WeakPolarHBondContact CD2-CD1 3.33Å
431I97Very high96.9Very high1 Ų117.6 Ų17.61%0.0058%0.077CC..Hα-helixtrans-54.2-42.2168.1-71.1154000111.3Y385 I399 I403 I427 Q428 H429 F439Y385-I431 HydrophobicContact CD1-CG2 3.98Å; Y385-I431 HydrophobicContact CD2-CG2 3.74Å; Y385-I431 HydrophobicContact CE1-CG2 4.36Å; Y385-I431 HydrophobicContact CE2-CG2 4.18Å; Y385-I431 HydrophobicContact CG-CG2 3.7Å; I399-I431 HydrophobicContact CD1-CD1 4.16Å; I399-I431 HydrophobicContact CG2-CD1 3.58Å; I399-I431 HydrophobicContact CG2-CG2 4.36Å; I403-I431 HydrophobicContact CD1-CD1 3.73Å; I427-I431 HydrophobicContact CG2-CD1 4.01Å; I427-I431 WeakPolarHBondContact O-CD1 3.42Å; I427-I431 WeakPolarHBondContact O-CG1 2.91Å; I427-I431 PolarHBondContact O-N 3.37Å; Q428-I431 PolarHBondContact O-N 3.38Å; H429-I431 PolarHBondContact O-N 3.07Å; I431-F439 HydrophobicContact CB-CD2 4.13Å; I431-F439 HydrophobicContact CB-CG 4.34Å; I431-F439 HydrophobicContact CD1-CE2 4.46Å; I431-F439 HydrophobicContact CD1-CZ 4.44Å; I431-F439 HydrophobicContact CG1-CB 4.4Å; I431-F439 HydrophobicContact CG1-CD1 4.01Å; I431-F439 HydrophobicContact CG1-CD2 3.46Å; I431-F439 VanDerWaalsContact CG1-CD2 3.46Å; I431-F439 HydrophobicContact CG1-CE1 4.08Å; I431-F439 HydrophobicContact CG1-CE2 3.51Å; I431-F439 HydrophobicContact CG1-CG 3.7Å; I431-F439 HydrophobicContact CG1-CZ 3.83Å
432Y95.9Very high97Very high18 Ų1816.8 Ų16.87%0.0717%0.074CC..Hα-helixtrans-89.9-20.2179.1-65.3-72.1000114.4K75 Y385 D400 Q428 H429 H430 C434K75-Y432 HydrophobicContact CB-CD1 3.55Å; K75-Y432 HydrophobicContact CB-CD2 4.25Å; K75-Y432 HydrophobicContact CB-CE1 3.88Å; K75-Y432 HydrophobicContact CB-CG 3.69Å; K75-Y432 HydrophobicContact CD-CD1 3.35Å; K75-Y432 HydrophobicContact CD-CE1 3.88Å; K75-Y432 HydrophobicContact CD-CG 4.14Å; K75-Y432 HydrophobicContact CG-CD1 4.04Å; K75-Y432 HydrophobicContact CG-CE1 4.35Å; Y385-Y432 HydrophobicContact CD1-CD1 4.39Å; Y385-Y432 AromaticContact CD1-CE1 3.54Å; Y385-Y432 HydrophobicContact CD1-CE1 3.54Å; Y385-Y432 HydrophobicContact CD1-CE2 4.44Å; Y385-Y432 AromaticContact CD1-CZ 3.58Å; Y385-Y432 WeakPolarHBondContact CD1-OH 3.41Å; Y385-Y432 HydrophobicContact CG-CE1 4.05Å; D400-Y432 WeakPolarHBondContact OD1-CE2 3.41Å; D400-Y432 PolarHBondContact OD2-OH 3.43Å; Q428-Y432 VanDerWaalsContact NE2-CE2 3.31Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.48Å; H429-Y432 PolarHBondContact O-N 3.46Å; H430-Y432 PolarHBondContact O-N 3.02Å; Y432-C434 VanDerWaalsContact C-N 3.27Å; Y432-C434 PolarHBondContact O-N 3.23Å
433S95.2Very high97.2Very high0 Ų011.7 Ų11.70%06%0.056CC..Hα-helixtrans-65-28.1-173.472.10000114.1S53 Q54 H429 H430 Q435S53-S433 WeakPolarHBondContact CB-O 3.45Å; S53-S433 PolarHBondContact OG-O 3.33Å; Q54-S433 VanDerWaalsContact NE2-N 3.18Å; H429-S433 PolarHBondContact O-N 3.1Å; H430-S433 VanDerWaalsContact CA-OG 3.31Å; H430-S433 WeakPolarHBondContact CA-OG 3.45Å; H430-S433 PolarHBondContact ND1-OG 2.93Å; H430-S433 PolarHBondContact O-N 3.44Å; H430-S433 PolarHBondContact O-OG 2.93Å; S433-Q435 PolarHBondContact O-N 3.24Å; S433-Q435 WeakPolarHBondContact OG-CB 3.33Å; S433-Q435 PolarHBondContact OG-N 3.04Å; S433-Q435 VanDerWaalsContact OG-N 3.08Å
434C95.8Very high97.1Very high3 Ų313.4 Ų13.42%0.026%0.064CC..  trans48.226.3-165.3-55.80000113.6L109 C111 N387 Y432L109-C434 HydrophobicContact CB-CB 4.32Å; L109-C434 HydrophobicContact CD2-CB 4.26Å; C111-C434 WeakPolarHBondContact CA-O 3.14Å; C111-C434 WeakPolarHBondContact CB-O 3.49Å; C111-C434 PolarHBondContact N-O 2.89Å; N387-C434 PolarHBondContact ND2-SG 3.15Å; Y432-C434 VanDerWaalsContact C-N 3.27Å; Y432-C434 PolarHBondContact O-N 3.23Å
435Q96.1Very high97.1Very high34 Ų3416.6 Ų16.616%0.1598%0.078CC..  trans-82.8-30.8178.8-178.1174.26.500112.3Y110 C111 F114 H430 S433Y110-Q435 HydrophobicContact CD1-CB 3.82Å; Y110-Q435 HydrophobicContact CD1-CG 3.95Å; Y110-Q435 HydrophobicContact CE1-CB 4.03Å; Y110-Q435 HydrophobicContact CE1-CG 3.67Å; C111-Q435 WeakPolarHBondContact CA-O 3.5Å; C111-Q435 WeakPolarHBondContact CB-O 3.11Å; F114-Q435 HydrophobicContact CD1-CG 3.89Å; F114-Q435 WeakPolarHBondContact CD1-O 3.26Å; F114-Q435 HydrophobicContact CD2-CG 4.19Å; F114-Q435 HydrophobicContact CE1-CG 3.97Å; F114-Q435 HydrophobicContact CE2-CG 4.28Å; F114-Q435 HydrophobicContact CG-CG 4Å; F114-Q435 HydrophobicContact CZ-CG 4.17Å; F114-Q435 VanDerWaalsContact CZ-NE2 3.27Å; H430-Q435 PolarHBondContact CE1-OE1 3.07Å; S433-Q435 PolarHBondContact O-N 3.24Å; S433-Q435 WeakPolarHBondContact OG-CB 3.33Å; S433-Q435 PolarHBondContact OG-N 3.04Å; S433-Q435 VanDerWaalsContact OG-N 3.08Å
436F97.8Very high97.2Very high12 Ų1217.8 Ų17.85%0.0538%0.083CC..SBendtrans-118.1158179.5-61.1-77.2000110.7F114 H430 N438 Y457 L459 H462F114-F436 HydrophobicContact CE1-CD1 4.43Å; F114-F436 AromaticContact CE1-CE1 3.88Å; F114-F436 HydrophobicContact CE1-CE1 3.88Å; F114-F436 HydrophobicContact CE1-CZ 4.31Å; H430-F436 HydrophobicContact CB-CD2 4.44Å; H430-F436 AromaticContact CE1-CE2 3.63Å; H430-F436 AromaticContact CG-CD2 3.99Å; H430-F436 AromaticContact ND1-CD2 3.72Å; H430-F436 AromaticContact ND1-CE2 3.67Å; H430-F436 AromaticContact NE2-CE2 3.97Å; F436-N438 VanDerWaalsContact C-N 3.33Å; F436-N438 PolarHBondContact O-N 2.65Å; F436-Y457 WeakPolarHBondContact CA-O 3.47Å; F436-Y457 WeakPolarHBondContact CB-O 3.43Å; F436-L459 HydrophobicContact CB-CB 3.82Å; F436-L459 HydrophobicContact CD1-CB 4.45Å; F436-L459 HydrophobicContact CD2-CB 4Å; F436-L459 HydrophobicContact CD2-CD1 3.61Å; F436-L459 HydrophobicContact CD2-CG 4.38Å; F436-L459 HydrophobicContact CE2-CD1 3.7Å; F436-L459 HydrophobicContact CG-CB 3.85Å; F436-L459 HydrophobicContact CG-CD1 4.32Å; F436-L459 HydrophobicContact CZ-CD1 4.49Å; F436-H462 HydrophobicContact CE1-CB 3.84Å; F436-H462 HydrophobicContact CZ-CB 3.63Å; F436-H462 AromaticContact CZ-CD2 3.98Å; F436-H462 AromaticContact CZ-CG 3.62Å
437G97.5Very high97.3Very high0 Ų016.6 Ų16.60%08%0.076CC..G310 helixtrans-76.6-11.1-175.100000115.9F439 T456 Y457G437-F439 VanDerWaalsContact C-N 3.32Å; G437-F439 PolarHBondContact O-N 3.01Å; G437-T456 WeakPolarHBondContact CA-OG1 3.49Å; G437-Y457 PolarHBondContact N-O 3.05Å
438N98.1Very high97.2Very high1 Ų122.4 Ų22.41%0.00510%0.098CC..G310 helixtrans-70.9-20.8-164.7-61.276.7000115.1W127 E371 I375 F436 R447 S458 L459 W460W127-N438 WeakPolarHBondContact CH2-OD1 3.4Å; W127-N438 VanDerWaalsContact CZ3-ND2 3.26Å; W127-N438 WeakPolarHBondContact CZ3-ND2 3.47Å; E371-N438 PolarHBondContact OE1-ND2 3.19Å; I375-N438 HydrophobicContact CD1-CB 4.35Å; I375-N438 WeakPolarHBondContact CD1-O 3.36Å; I375-N438 WeakPolarHBondContact CG1-O 3.44Å; F436-N438 VanDerWaalsContact C-N 3.33Å; F436-N438 PolarHBondContact O-N 2.65Å; N438-R447 PolarHBondContact O-NH1 3.47Å; N438-S458 WeakPolarHBondContact OD1-CA 3.19Å; N438-L459 HydrophobicContact CB-CB 4.45Å; N438-L459 WeakPolarHBondContact OD1-CB 3.37Å; N438-L459 PolarHBondContact OD1-N 2.86Å; N438-W460 PolarHBondContact ND2-NE1 2.84Å
439F97.9Very high97.2Very high6 Ų628.2 Ų28.23%0.02613%0.126CC..G310 helixtrans-120.234.1-176.4-57.7-58.2000112.1I370 I375 F381 N387 I427 I431 G437 L459 W460I370-F439 HydrophobicContact CG2-CE1 3.73Å; I370-F439 HydrophobicContact CG2-CZ 4.15Å; I375-F439 HydrophobicContact CD1-CD1 4.18Å; I375-F439 HydrophobicContact CD1-CE1 3.96Å; I375-F439 HydrophobicContact CG1-CD1 4.48Å; F381-F439 WeakPolarHBondContact CB-O 3.1Å; F381-F439 HydrophobicContact CD1-CB 3.95Å; F381-F439 AromaticContact CD1-CD1 3.8Å; F381-F439 HydrophobicContact CD1-CD1 3.8Å; F381-F439 HydrophobicContact CD1-CG 4.27Å; F381-F439 HydrophobicContact CE1-CB 4.37Å; F381-F439 AromaticContact CE1-CD1 3.35Å; F381-F439 HydrophobicContact CE1-CD1 3.35Å; F381-F439 AromaticContact CE1-CE1 3.94Å; F381-F439 HydrophobicContact CE1-CE1 3.94Å; F381-F439 HydrophobicContact CE1-CG 4.19Å; F381-F439 HydrophobicContact CE2-CD1 4.29Å; F381-F439 HydrophobicContact CG-CB 4.38Å; F381-F439 HydrophobicContact CG-CD1 4.46Å; F381-F439 AromaticContact CZ-CD1 3.62Å; F381-F439 HydrophobicContact CZ-CD1 3.62Å; F381-F439 AromaticContact CZ-CE1 3.99Å; F381-F439 HydrophobicContact CZ-CE1 3.99Å; N387-F439 PolarHBondContact OD1-O 3Å; I427-F439 HydrophobicContact CG2-CZ 4.27Å; I431-F439 HydrophobicContact CB-CD2 4.13Å; I431-F439 HydrophobicContact CB-CG 4.34Å; I431-F439 HydrophobicContact CD1-CE2 4.46Å; I431-F439 HydrophobicContact CD1-CZ 4.44Å; I431-F439 HydrophobicContact CG1-CB 4.4Å; I431-F439 HydrophobicContact CG1-CD1 4.01Å; I431-F439 HydrophobicContact CG1-CD2 3.46Å; I431-F439 VanDerWaalsContact CG1-CD2 3.46Å; I431-F439 HydrophobicContact CG1-CE1 4.08Å; I431-F439 HydrophobicContact CG1-CE2 3.51Å; I431-F439 HydrophobicContact CG1-CG 3.7Å; I431-F439 HydrophobicContact CG1-CZ 3.83Å; G437-F439 VanDerWaalsContact C-N 3.32Å; G437-F439 PolarHBondContact O-N 3.01Å; F439-L459 HydrophobicContact CD2-CD2 4.33Å; F439-L459 HydrophobicContact CE2-CD2 3.49Å; F439-L459 VanDerWaalsContact CE2-CD2 3.49Å; F439-L459 HydrophobicContact CZ-CD2 4.26Å; F439-W460 AromaticContact CZ-CH2 3.8Å; F439-W460 HydrophobicContact CZ-CH2 3.8Å; F439-W460 HydrophobicContact CZ-CZ2 4.04Å
440L96.2Very high97.3Very high2 Ų228 Ų281%0.0113%0.126CC..  trans-103.6159.5176-54.6-180000111.1L109 C111 F112 I452L109-L440 HydrophobicContact CD1-CD2 3.72Å; C111-L440 VanDerWaalsContact SG-CD1 3.54Å; F112-L440 HydrophobicContact CE2-CD1 4.46Å; L440-I452 HydrophobicContact CD1-CD1 4.24Å
441C97.7Very high97.2Very high1 Ų132 Ų321%0.00714%0.143CC..SBendtrans64.3-173.3179.7-43.30000113.4Y106 F381 N382 E446 R447Y106-C441 WeakPolarHBondContact OH-CA 3.45Å; F381-C441 PolarHBondContact N-O 3.08Å; N382-C441 PolarHBondContact N-O 3.49Å; C441-E446 HydrophobicContact CB-CB 3.65Å; C441-E446 WeakPolarHBondContact CB-OE2 3.42Å; C441-R447 HydrophobicContact CB-CG 3.81Å
442N98.1Very high97.3Very high18 Ų1832 Ų3210%0.09614%0.143CC..SBendtrans-114.7-9.7177.3-55.6-66.6000114.1G378 K380 H383 E446G378-N442 CarbonylContact C-O 3.58Å; G378-N442 WeakPolarHBondContact CA-O 3.32Å; K380-N442 WeakPolarHBondContact CA-OD1 3.26Å; K380-N442 HydrophobicContact CB-CB 4.18Å; K380-N442 WeakPolarHBondContact CB-OD1 3.49Å; K380-N442 HydrophobicContact CG-CB 4.13Å; H383-N442 PolarHBondContact CD2-ND2 3.39Å; H383-N442 PolarHBondContact CD2-OD1 3.44Å; H383-N442 PolarHBondContact N-OD1 3.24Å; H383-N442 PolarHBondContact NE2-ND2 3.11Å; N442-E446 WeakPolarHBondContact CB-OE1 3.18Å; N442-E446 PolarHBondContact N-OE2 3.18Å; N442-E446 PolarHBondContact ND2-OE2 2.93Å
443S98.3Very high97.2Very high7 Ų736.5 Ų36.55%0.04917%0.165CC..SBendtrans-149.5160.6-175.364.50000112.7K445 E446 R447S443-K445 PolarHBondContact O-N 2.98Å; S443-E446 WeakPolarHBondContact CB-OE1 3.17Å; S443-E446 PolarHBondContact N-OE1 3.36Å; S443-E446 VanDerWaalsContact OG-CD 3.29Å; S443-E446 WeakPolarHBondContact OG-CG 3.35Å; S443-E446 PolarHBondContact OG-N 2.85Å; S443-E446 VanDerWaalsContact OG-N 3.17Å; S443-E446 PolarHBondContact OG-OE1 2.89Å; S443-R447 WeakPolarHBondContact O-CD 3.32Å; S443-R447 WeakPolarHBondContact O-CG 3.36Å; S443-R447 PolarHBondContact O-N 3.16Å
444Q97.7Very high97.2Very high37 Ų3741.3 Ų41.317%0.17319%0.187CC..Hα-helixtrans-60.9-32.4170.5-163.2-166.853.800111.4Y155 R447 R448Y155-Q444 HydrophobicContact CE1-CB 4.22Å; Y155-Q444 WeakPolarHBondContact OH-CG 3.27Å; Y155-Q444 PolarHBondContact OH-O 3.41Å; Y155-Q444 PolarHBondContact OH-OE1 2.8Å; Q444-R447 PolarHBondContact O-N 3.12Å; Q444-R448 PolarHBondContact O-N 2.97Å; Q444-R448 VanDerWaalsContact O-N 3.16Å
445K98.3Very high97.2Very high66 Ų6645.4 Ų45.429%0.28720%0.202SC..Hα-helixtrans-60.8-58177.9-179.7-178.6169.7-172.10112Y155 D159 S443 R447 R448 E449Y155-K445 HydrophobicContact CD1-CB 3.93Å; Y155-K445 HydrophobicContact CD2-CB 3.73Å; Y155-K445 HydrophobicContact CD2-CD 4.07Å; Y155-K445 HydrophobicContact CD2-CG 3.62Å; Y155-K445 HydrophobicContact CE1-CB 3.91Å; Y155-K445 HydrophobicContact CE2-CB 3.69Å; Y155-K445 HydrophobicContact CE2-CG 3.91Å; Y155-K445 HydrophobicContact CG-CB 3.84Å; Y155-K445 HydrophobicContact CG-CD 4.06Å; Y155-K445 HydrophobicContact CG-CG 3.99Å; Y155-K445 VanDerWaalsContact CZ-CA 3.47Å; Y155-K445 PolarHBondContact OH-N 2.9Å; D159-K445 HydrophobicContact CB-CD 3.95Å; S443-K445 PolarHBondContact O-N 2.98Å; K445-R447 PolarHBondContact O-N 3.06Å; K445-R448 PolarHBondContact O-N 2.93Å; K445-E449 WeakPolarHBondContact CE-OE1 3.38Å; K445-E449 IonicContact NZ-OE1 2.67Å; K445-E449 WeakPolarHBondContact O-CG 3.39Å; K445-E449 PolarHBondContact O-N 3.01Å
446E98.1Very high97.3Very high53 Ų5343.8 Ų43.825%0.24819%0.194CC..Hα-helixtrans-54.4-38.7177.9-72.6155-110.200111.8C441 N442 S443 R448 E449 L450C441-E446 HydrophobicContact CB-CB 3.65Å; C441-E446 WeakPolarHBondContact CB-OE2 3.42Å; N442-E446 WeakPolarHBondContact CB-OE1 3.18Å; N442-E446 PolarHBondContact N-OE2 3.18Å; N442-E446 PolarHBondContact ND2-OE2 2.93Å; S443-E446 WeakPolarHBondContact CB-OE1 3.17Å; S443-E446 PolarHBondContact N-OE1 3.36Å; S443-E446 VanDerWaalsContact OG-CD 3.29Å; S443-E446 WeakPolarHBondContact OG-CG 3.35Å; S443-E446 PolarHBondContact OG-N 2.85Å; S443-E446 VanDerWaalsContact OG-N 3.17Å; S443-E446 PolarHBondContact OG-OE1 2.89Å; E446-R448 VanDerWaalsContact C-N 3.35Å; E446-R448 PolarHBondContact O-N 3.48Å; E446-E449 PolarHBondContact O-N 2.91Å; E446-L450 WeakPolarHBondContact O-CB 3.46Å; E446-L450 PolarHBondContact O-N 3.32Å
447R97.8Very high97.3Very high23 Ų2344.7 Ų44.79%0.08720%0.198CC..Hα-helixtrans-66.6-33.3179-69.2166.663.2137.7-10.5113.3E371 N438 C441 S443 Q444 K445 K451 I452E371-R447 IonicContact OE1-NH2 3.31Å; E371-R447 IonicContact OE2-NH2 3.29Å; N438-R447 PolarHBondContact O-NH1 3.47Å; C441-R447 HydrophobicContact CB-CG 3.81Å; S443-R447 WeakPolarHBondContact O-CD 3.32Å; S443-R447 WeakPolarHBondContact O-CG 3.36Å; S443-R447 PolarHBondContact O-N 3.16Å; Q444-R447 PolarHBondContact O-N 3.12Å; K445-R447 PolarHBondContact O-N 3.06Å; R447-K451 PolarHBondContact O-N 2.92Å; R447-I452 HydrophobicContact CB-CB 4.44Å; R447-I452 HydrophobicContact CB-CG1 4.08Å; R447-I452 HydrophobicContact CG-CG1 4.23Å; R447-I452 WeakPolarHBondContact O-CG1 3.01Å; R447-I452 PolarHBondContact O-N 3.29Å
448R96.9Very high97.3Very high122 Ų12245 Ų4546%0.4620%0.2SC..Hα-helixtrans-73.9-44.1172.9-70.4-171.9-173.4167.29110.9Y155 T163 Q444 K445 E446 L450 K451Y155-R448 WeakPolarHBondContact OH-CD 3.43Å; Y155-R448 VanDerWaalsContact OH-CZ 3.24Å; Y155-R448 PolarHBondContact OH-NE 3.03Å; Y155-R448 PolarHBondContact OH-NH1 3.25Å; T163-R448 PolarHBondContact OG1-NH1 3.42Å; T163-R448 PolarHBondContact OG1-NH2 2.78Å; Q444-R448 PolarHBondContact O-N 2.97Å; Q444-R448 VanDerWaalsContact O-N 3.16Å; K445-R448 PolarHBondContact O-N 2.93Å; E446-R448 VanDerWaalsContact C-N 3.35Å; E446-R448 PolarHBondContact O-N 3.48Å; R448-L450 PolarHBondContact O-N 2.87Å; R448-K451 PolarHBondContact O-N 2.8Å
449E97.4Very high97.3Very high123 Ų12344.9 Ų44.958%0.57520%0.199SC*.Hα-helixtrans-61.2-42.8178.7-69.8170.7165.500112K445 E446 K451K445-E449 WeakPolarHBondContact CE-OE1 3.38Å; K445-E449 IonicContact NZ-OE1 2.67Å; K445-E449 WeakPolarHBondContact O-CG 3.39Å; K445-E449 PolarHBondContact O-N 3.01Å; E446-E449 PolarHBondContact O-N 2.91Å; E449-K451 VanDerWaalsContact C-N 3.25Å; E449-K451 PolarHBondContact O-N 2.88Å
450L97.1Very high97.3Very high45 Ų4544.8 Ų44.824%0.23620%0.199CC..THydrogen-bonded Turntrans-80.2-1.3175-69.4170.4000114.2Y106 E446 R448 I452 R455Y106-L450 HydrophobicContact CD2-CD1 3.39Å; Y106-L450 HydrophobicContact CD2-CD2 4.49Å; Y106-L450 HydrophobicContact CE2-CD1 3.65Å; Y106-L450 HydrophobicContact CG-CD1 3.88Å; E446-L450 WeakPolarHBondContact O-CB 3.46Å; E446-L450 PolarHBondContact O-N 3.32Å; R448-L450 PolarHBondContact O-N 2.87Å; L450-I452 VanDerWaalsContact C-N 3.33Å; L450-I452 HydrophobicContact CB-CD1 3.88Å; L450-I452 HydrophobicContact CB-CG1 4.17Å; L450-I452 PolarHBondContact O-N 2.87Å; L450-R455 VanDerWaalsContact O-CD 3.29Å; L450-R455 WeakPolarHBondContact O-CD 3.5Å; L450-R455 PolarHBondContact O-NH1 2.8Å; L450-R455 VanDerWaalsContact O-NH1 3.1Å
451K97.4Very high97.3Very high100 Ų10046.2 Ų46.244%0.43521%0.211SC..THydrogen-bonded Turntrans53.244.2179.5-62.7171.4153.1-105.50113.3R447 R448 E449 Q453 E454 R455R447-K451 PolarHBondContact O-N 2.92Å; R448-K451 PolarHBondContact O-N 2.8Å; E449-K451 VanDerWaalsContact C-N 3.25Å; E449-K451 PolarHBondContact O-N 2.88Å; K451-Q453 VanDerWaalsContact C-N 3.28Å; K451-Q453 PolarHBondContact O-N 3.35Å; K451-E454 HydrophobicContact CB-CB 4.16Å; K451-E454 HydrophobicContact CB-CG 4.27Å; K451-E454 IonicContact NZ-OE1 2.78Å; K451-E454 PolarHBondContact NZ-OE1 3.39Å; K451-E454 IonicContact NZ-OE2 2.86Å; K451-E454 PolarHBondContact NZ-OE2 3.04Å; K451-E454 PolarHBondContact O-N 2.98Å; K451-R455 HydrophobicContact CB-CG 4.42Å; K451-R455 WeakPolarHBondContact O-CG 3.41Å; K451-R455 PolarHBondContact O-N 2.77Å
452I97.2Very high97.2Very high2 Ų249.5 Ų49.51%0.0123%0.226CC..Hα-helixtrans-55.5-42.1-172.7-63.5-58.8000112.1F112 W127 L440 R447 L450 E454 R455 T456F112-I452 HydrophobicContact CE1-CD1 4.36Å; F112-I452 HydrophobicContact CZ-CD1 3.72Å; W127-I452 HydrophobicContact CH2-CG2 4.36Å; W127-I452 HydrophobicContact CZ2-CG2 4.45Å; L440-I452 HydrophobicContact CD1-CD1 4.24Å; R447-I452 HydrophobicContact CB-CB 4.44Å; R447-I452 HydrophobicContact CB-CG1 4.08Å; R447-I452 HydrophobicContact CG-CG1 4.23Å; R447-I452 WeakPolarHBondContact O-CG1 3.01Å; R447-I452 PolarHBondContact O-N 3.29Å; L450-I452 VanDerWaalsContact C-N 3.33Å; L450-I452 HydrophobicContact CB-CD1 3.88Å; L450-I452 HydrophobicContact CB-CG1 4.17Å; L450-I452 PolarHBondContact O-N 2.87Å; I452-E454 VanDerWaalsContact C-N 3.34Å; I452-E454 PolarHBondContact O-N 3.4Å; I452-R455 PolarHBondContact O-N 2.81Å; I452-T456 WeakPolarHBondContact CG2-OG1 3.42Å; I452-T456 PolarHBondContact O-N 2.78Å; I452-T456 PolarHBondContact O-OG1 2.76Å
453Q95.3Very high97.2Very high112 Ų11248.6 Ų48.652%0.52322%0.221SC..Hα-helixtrans-66.1-31.8178.7-64.1178.1-29.400113.1W127 K451 R455W127-Q453 HydrophobicContact CB-CG 4.42Å; W127-Q453 HydrophobicContact CD2-CB 4.17Å; W127-Q453 HydrophobicContact CD2-CG 3.76Å; W127-Q453 HydrophobicContact CE3-CG 3.9Å; W127-Q453 HydrophobicContact CG-CB 4.04Å; W127-Q453 HydrophobicContact CG-CG 3.99Å; W127-Q453 HydrophobicContact CZ3-CG 4.44Å; W127-Q453 PolarHBondContact NE1-O 3.06Å; K451-Q453 VanDerWaalsContact C-N 3.28Å; K451-Q453 PolarHBondContact O-N 3.35Å; Q453-R455 VanDerWaalsContact C-N 3.34Å
454E95Very high97.1Very high100 Ų10052.4 Ų52.447%0.46724%0.235SC..Hα-helixtrans-81.4-12.3177.7-57.8175.5-14400113.2R123 K451 I452R123-E454 PolarHBondContact NH1-O 2.87Å; R123-E454 PolarHBondContact NH2-O 2.84Å; K451-E454 HydrophobicContact CB-CB 4.16Å; K451-E454 HydrophobicContact CB-CG 4.27Å; K451-E454 IonicContact NZ-OE1 2.78Å; K451-E454 PolarHBondContact NZ-OE1 3.39Å; K451-E454 IonicContact NZ-OE2 2.86Å; K451-E454 PolarHBondContact NZ-OE2 3.04Å; K451-E454 PolarHBondContact O-N 2.98Å; I452-E454 VanDerWaalsContact C-N 3.34Å; I452-E454 PolarHBondContact O-N 3.4Å
455R95.6Very high97Very high89 Ų8958 Ų5834%0.33626%0.259SS..Hα-helixtrans-123.8-13.9-167.8-66.8174.869-161.22.1114.8E107 F112 L450 K451 I452 Q453E107-R455 IonicContact OE1-CZ 3.76Å; E107-R455 IonicContact OE1-NH1 3.26Å; E107-R455 PolarHBondContact OE1-NH1 3.12Å; E107-R455 IonicContact OE1-NH2 3.96Å; E107-R455 PolarHBondContact OE1-NH2 3.2Å; F112-R455 HydrophobicContact CD1-CB 3.97Å; F112-R455 HydrophobicContact CE1-CB 3.79Å; F112-R455 VanDerWaalsContact CE1-CZ 3.4Å; L450-R455 VanDerWaalsContact O-CD 3.29Å; L450-R455 WeakPolarHBondContact O-CD 3.5Å; L450-R455 PolarHBondContact O-NH1 2.8Å; L450-R455 VanDerWaalsContact O-NH1 3.1Å; K451-R455 HydrophobicContact CB-CG 4.42Å; K451-R455 WeakPolarHBondContact O-CG 3.41Å; K451-R455 PolarHBondContact O-N 2.77Å; I452-R455 PolarHBondContact O-N 2.81Å; Q453-R455 VanDerWaalsContact C-N 3.34Å
456T97.1Very high96.8Very high0 Ų057.7 Ų57.70%026%0.26CS..SBendtrans-138.9172.4-174.569.50000111.3C111 F112 W127 G437 I452C111-T456 HydrophobicContact CB-CG2 3.95Å; F112-T456 HydrophobicContact CD1-CG2 3.82Å; F112-T456 HydrophobicContact CE1-CG2 3.68Å; F112-T456 HydrophobicContact CE2-CG2 4.42Å; F112-T456 HydrophobicContact CG-CG2 4.28Å; F112-T456 HydrophobicContact CZ-CG2 4.01Å; W127-T456 WeakPolarHBondContact CZ2-OG1 3.44Å; W127-T456 PolarHBondContact NE1-O 3.4Å; G437-T456 WeakPolarHBondContact CA-OG1 3.49Å; I452-T456 WeakPolarHBondContact CG2-OG1 3.42Å; I452-T456 PolarHBondContact O-N 2.78Å; I452-T456 PolarHBondContact O-OG1 2.76Å
457Y97.6Very high96.7Very high31 Ų3160.8 Ų60.812%0.12227%0.269CS..  trans-101.9150.7-179.8-64.2-87.6000112.2F114 P116 L118 R123 W127 F436 G437F114-Y457 HydrophobicContact CD1-CD2 4.1Å; F114-Y457 VanDerWaalsContact O-CE2 3.29Å; F114-Y457 WeakPolarHBondContact O-CE2 3.37Å; P116-Y457 VanDerWaalsContact CD-CZ 3.47Å; P116-Y457 HydrophobicContact CG-CD1 3.75Å; P116-Y457 HydrophobicContact CG-CD2 4.04Å; P116-Y457 HydrophobicContact CG-CE1 3.73Å; P116-Y457 HydrophobicContact CG-CE2 4.03Å; P116-Y457 HydrophobicContact CG-CG 3.91Å; L118-Y457 HydrophobicContact CB-CE1 3.98Å; L118-Y457 HydrophobicContact CD1-CD1 4.13Å; L118-Y457 HydrophobicContact CD1-CE1 4.22Å; R123-Y457 HydrophobicContact CB-CD1 4.03Å; R123-Y457 HydrophobicContact CB-CE1 3.72Å; R123-Y457 HydrophobicContact CG-CD1 3.65Å; R123-Y457 HydrophobicContact CG-CE1 3.61Å; R123-Y457 HydrophobicContact CG-CG 4.42Å; W127-Y457 VanDerWaalsContact CZ2-C 3.46Å; W127-Y457 WeakPolarHBondContact CZ2-O 3.36Å; F436-Y457 WeakPolarHBondContact CA-O 3.47Å; F436-Y457 WeakPolarHBondContact CB-O 3.43Å; G437-Y457 PolarHBondContact N-O 3.05Å
458S97.8Very high96.6Very high6 Ų662.8 Ų62.84%0.04229%0.291CS..  trans-83.2126.9177.5177.60000111.6G126 N438 W460 A461G126-S458 WeakPolarHBondContact O-CB 3.47Å; G126-S458 PolarHBondContact O-OG 3.31Å; N438-S458 WeakPolarHBondContact OD1-CA 3.19Å; S458-W460 VanDerWaalsContact C-N 3.26Å; S458-W460 PolarHBondContact O-N 3.02Å; S458-W460 PolarHBondContact OG-N 3.04Å; S458-A461 PolarHBondContact O-N 3.35Å
459L98.2Very high96.4Very high0 Ų060.2 Ų60.20%029%0.286CS..Hα-helixtrans-59-39.8170.2173.562.6000111.1H430 F436 N438 F439 A461 H462 L463H430-L459 HydrophobicContact CB-CD1 3.81Å; H430-L459 HydrophobicContact CB-CD2 3.79Å; H430-L459 HydrophobicContact CB-CG 4.43Å; H430-L459 VanDerWaalsContact CD2-CD1 3.45Å; H430-L459 WeakPolarHBondContact CD2-CD1 3.33Å; F436-L459 HydrophobicContact CB-CB 3.82Å; F436-L459 HydrophobicContact CD1-CB 4.45Å; F436-L459 HydrophobicContact CD2-CB 4Å; F436-L459 HydrophobicContact CD2-CD1 3.61Å; F436-L459 HydrophobicContact CD2-CG 4.38Å; F436-L459 HydrophobicContact CE2-CD1 3.7Å; F436-L459 HydrophobicContact CG-CB 3.85Å; F436-L459 HydrophobicContact CG-CD1 4.32Å; F436-L459 HydrophobicContact CZ-CD1 4.49Å; N438-L459 HydrophobicContact CB-CB 4.45Å; N438-L459 WeakPolarHBondContact OD1-CB 3.37Å; N438-L459 PolarHBondContact OD1-N 2.86Å; F439-L459 HydrophobicContact CD2-CD2 4.33Å; F439-L459 HydrophobicContact CE2-CD2 3.49Å; F439-L459 VanDerWaalsContact CE2-CD2 3.49Å; F439-L459 HydrophobicContact CZ-CD2 4.26Å; L459-A461 VanDerWaalsContact C-N 3.29Å; L459-A461 PolarHBondContact O-N 3.37Å; L459-H462 WeakPolarHBondContact O-CB 3.49Å; L459-H462 PolarHBondContact O-N 2.73Å; L459-L463 HydrophobicContact CD1-CD1 3.9Å; L459-L463 HydrophobicContact CD1-CD2 4.16Å; L459-L463 HydrophobicContact CD1-CG 3.75Å; L459-L463 HydrophobicContact CD2-CD1 4.14Å; L459-L463 HydrophobicContact CG-CD1 3.77Å; L459-L463 HydrophobicContact CG-CG 4.02Å; L459-L463 PolarHBondContact O-N 3.39Å
460W98.1Very high96.3Very high4 Ų454.6 Ų54.62%0.01526%0.26CS..Hα-helixtrans-63.5-37.8-175.9-50.1134.2000111.7L129 I130 M367 I370 E371 I375 I427 N438 F439 S458 H462 L463 W464L129-W460 HydrophobicContact CD2-CB 3.91Å; I130-W460 HydrophobicContact CD1-CB 4.21Å; I130-W460 VanDerWaalsContact CD1-CD1 3.47Å; I130-W460 HydrophobicContact CD1-CD2 4.33Å; I130-W460 HydrophobicContact CD1-CG 3.76Å; M367-W460 HydrophobicContact CB-CD2 3.83Å; M367-W460 HydrophobicContact CB-CE3 3.78Å; M367-W460 HydrophobicContact CB-CG 4.3Å; M367-W460 HydrophobicContact CB-CH2 4.46Å; M367-W460 HydrophobicContact CB-CZ3 4.11Å; M367-W460 HydrophobicContact CE-CE3 4.48Å; M367-W460 HydrophobicContact CG-CD2 3.94Å; M367-W460 HydrophobicContact CG-CE3 3.4Å; M367-W460 VanDerWaalsContact CG-CE3 3.4Å; M367-W460 HydrophobicContact CG-CZ3 3.76Å; M367-W460 HydrophobicContact SD-CB 3.91Å; M367-W460 HydrophobicContact SD-CD2 4.2Å; M367-W460 HydrophobicContact SD-CE3 3.82Å; M367-W460 HydrophobicContact SD-CG 4.28Å; I370-W460 HydrophobicContact CB-CH2 4.19Å; I370-W460 HydrophobicContact CB-CZ2 4.18Å; I370-W460 HydrophobicContact CD1-CH2 4.11Å; I370-W460 HydrophobicContact CG2-CH2 4.01Å; I370-W460 HydrophobicContact CG2-CZ2 3.87Å; E371-W460 HydrophobicContact CG-CZ2 4.42Å; E371-W460 PolarHBondContact OE1-NE1 2.91Å; I375-W460 HydrophobicContact CD1-CZ2 4.49Å; I427-W460 HydrophobicContact CD1-CZ3 4.17Å; I427-W460 HydrophobicContact CG1-CZ3 4.23Å; N438-W460 PolarHBondContact ND2-NE1 2.84Å; F439-W460 AromaticContact CZ-CH2 3.8Å; F439-W460 HydrophobicContact CZ-CH2 3.8Å; F439-W460 HydrophobicContact CZ-CZ2 4.04Å; S458-W460 VanDerWaalsContact C-N 3.26Å; S458-W460 PolarHBondContact O-N 3.02Å; S458-W460 PolarHBondContact OG-N 3.04Å; W460-H462 VanDerWaalsContact C-N 3.34Å; W460-H462 PolarHBondContact O-N 2.81Å; W460-L463 HydrophobicContact CE3-CD1 4.06Å; W460-L463 HydrophobicContact CZ3-CD1 4.08Å; W460-L463 PolarHBondContact O-N 3.48Å; W460-W464 WeakPolarHBondContact O-CB 3.44Å; W460-W464 PolarHBondContact O-N 2.88Å
461A96.6Very high96.1Very high32 Ų3255.5 Ų55.526%0.26426%0.264SS..Hα-helixtrans-61.3-42.6172.900000112.1S458 L459 K465S458-A461 PolarHBondContact O-N 3.35Å; L459-A461 VanDerWaalsContact C-N 3.29Å; L459-A461 PolarHBondContact O-N 3.37Å; A461-K465 WeakPolarHBondContact O-CB 3.32Å; A461-K465 PolarHBondContact O-N 2.79Å
462H96.4Very high95.9Very high69 Ų6951.5 Ų51.532%0.31925%0.248SC..Hα-helixtrans-65.3-48177.2179.179.6000112.2F436 L459 W460 W464 K465 N466F436-H462 HydrophobicContact CE1-CB 3.84Å; F436-H462 HydrophobicContact CZ-CB 3.63Å; F436-H462 AromaticContact CZ-CD2 3.98Å; F436-H462 AromaticContact CZ-CG 3.62Å; L459-H462 WeakPolarHBondContact O-CB 3.49Å; L459-H462 PolarHBondContact O-N 2.73Å; W460-H462 VanDerWaalsContact C-N 3.34Å; W460-H462 PolarHBondContact O-N 2.81Å; H462-W464 VanDerWaalsContact C-N 3.34Å; H462-W464 PolarHBondContact O-N 3.19Å; H462-K465 PolarHBondContact O-N 2.97Å; H462-N466 PolarHBondContact CE1-ND2 3Å; H462-N466 VanDerWaalsContact CE1-ND2 3.3Å; H462-N466 PolarHBondContact NE2-ND2 3.14Å; H462-N466 PolarHBondContact O-N 2.83Å
463L97.3Very high95.5Very high0 Ų053.1 Ų53.10%026%0.259CS..Hα-helixtrans-66.1-36.3178.3-63.2-179.7000112M367 F423 H426 I427 L459 W460 N466 R467 Y470M367-L463 HydrophobicContact CE-CB 3.83Å; F423-L463 HydrophobicContact CD2-CD1 4.38Å; F423-L463 HydrophobicContact CE2-CB 4.28Å; F423-L463 HydrophobicContact CE2-CD1 3.84Å; H426-L463 HydrophobicContact CB-CD2 4.33Å; I427-L463 HydrophobicContact CD1-CD1 4.47Å; I427-L463 HydrophobicContact CG1-CD1 3.84Å; L459-L463 HydrophobicContact CD1-CD1 3.9Å; L459-L463 HydrophobicContact CD1-CD2 4.16Å; L459-L463 HydrophobicContact CD1-CG 3.75Å; L459-L463 HydrophobicContact CD2-CD1 4.14Å; L459-L463 HydrophobicContact CG-CD1 3.77Å; L459-L463 HydrophobicContact CG-CG 4.02Å; L459-L463 PolarHBondContact O-N 3.39Å; W460-L463 HydrophobicContact CE3-CD1 4.06Å; W460-L463 HydrophobicContact CZ3-CD1 4.08Å; W460-L463 PolarHBondContact O-N 3.48Å; L463-N466 CarbonylContact O-C 3.57Å; L463-N466 PolarHBondContact O-N 3.34Å; L463-R467 WeakPolarHBondContact O-CA 3.41Å; L463-R467 PolarHBondContact O-N 3.05Å; L463-R467 VanDerWaalsContact O-N 3.1Å; L463-Y470 HydrophobicContact CB-CE2 4.13Å; L463-Y470 HydrophobicContact CD2-CE2 3.64Å; L463-Y470 WeakPolarHBondContact CD2-OH 3.42Å; L463-Y470 HydrophobicContact CG-CE2 4.49Å; L463-Y470 WeakPolarHBondContact O-CE2 3.46Å
464W96.6Very high95.2Very high87 Ų8750.7 Ų50.733%0.3325%0.249SC..Hα-helixtrans-70.1-36.1178.2-169.5-103.6000113.4L129 L363 K364 M367 W460 H462 N466 R467L129-W464 HydrophobicContact CD1-CD2 4.5Å; L129-W464 HydrophobicContact CD1-CG 4.26Å; L129-W464 HydrophobicContact CD2-CB 3.76Å; L129-W464 HydrophobicContact CD2-CG 4.01Å; L363-W464 HydrophobicContact CB-CZ3 4.39Å; K364-W464 HydrophobicContact CB-CH2 4.13Å; K364-W464 HydrophobicContact CB-CZ3 3.75Å; K364-W464 HydrophobicContact CG-CZ3 4.47Å; M367-W464 HydrophobicContact CE-CE3 4.47Å; W460-W464 WeakPolarHBondContact O-CB 3.44Å; W460-W464 PolarHBondContact O-N 2.88Å; H462-W464 VanDerWaalsContact C-N 3.34Å; H462-W464 PolarHBondContact O-N 3.19Å; W464-N466 VanDerWaalsContact C-N 3.33Å; W464-R467 WeakPolarHBondContact O-CB 3.44Å; W464-R467 WeakPolarHBondContact O-CD 3.46Å; W464-R467 WeakPolarHBondContact O-CG 3.41Å; W464-R467 PolarHBondContact O-N 2.9Å; W464-R467 PolarHBondContact O-NH1 3.34Å
465K94.9Very high95Very high155 Ų15548.7 Ų48.767%0.67424%0.239SC*.Hα-helixtrans-61.1-44.1172.3-174170.8-177.6170.10110.8A461 H462 R467A461-K465 WeakPolarHBondContact O-CB 3.32Å; A461-K465 PolarHBondContact O-N 2.79Å; H462-K465 PolarHBondContact O-N 2.97Å; K465-R467 VanDerWaalsContact C-N 3.35Å; K465-R467 PolarHBondContact O-N 2.84Å
466N95.2Very high94.4Very high58 Ų5850.9 Ų50.931%0.3125%0.247SC..THydrogen-bonded Turntrans-94.924.8-177.9-59-24.7000113.2H462 L463 W464 A468 D469 Y470H462-N466 PolarHBondContact CE1-ND2 3Å; H462-N466 VanDerWaalsContact CE1-ND2 3.3Å; H462-N466 PolarHBondContact NE2-ND2 3.14Å; H462-N466 PolarHBondContact O-N 2.83Å; L463-N466 CarbonylContact O-C 3.57Å; L463-N466 PolarHBondContact O-N 3.34Å; W464-N466 VanDerWaalsContact C-N 3.33Å; N466-A468 PolarHBondContact O-N 2.87Å; N466-A468 VanDerWaalsContact O-N 3.1Å; N466-D469 PolarHBondContact O-N 3.01Å; N466-Y470 HydrophobicContact CB-CE2 4.12Å; N466-Y470 WeakPolarHBondContact O-CD2 3.38Å; N466-Y470 WeakPolarHBondContact O-CE2 3.35Å
467R95.6Very high93.7Very high118 Ų11854 Ų5445%0.44527%0.273SS..G310 helixtrans-61.1-23.3-16968-170.4174.4-70.6-7.9115.7L363 L463 W464 K465 D469 Y470 L471L363-R467 HydrophobicContact CD1-CB 4.17Å; L463-R467 WeakPolarHBondContact O-CA 3.41Å; L463-R467 PolarHBondContact O-N 3.05Å; L463-R467 VanDerWaalsContact O-N 3.1Å; W464-R467 WeakPolarHBondContact O-CB 3.44Å; W464-R467 WeakPolarHBondContact O-CD 3.46Å; W464-R467 WeakPolarHBondContact O-CG 3.41Å; W464-R467 PolarHBondContact O-N 2.9Å; W464-R467 PolarHBondContact O-NH1 3.34Å; K465-R467 VanDerWaalsContact C-N 3.35Å; K465-R467 PolarHBondContact O-N 2.84Å; R467-D469 VanDerWaalsContact C-N 3.35Å; R467-D469 PolarHBondContact O-N 3.04Å; R467-Y470 PolarHBondContact O-N 2.79Å; R467-Y470 VanDerWaalsContact O-N 3.1Å; R467-L471 PolarHBondContact O-N 3.11Å
468A94.4Very high93Very high66 Ų6658 Ų5855%0.54530%0.296SS..G310 helixtrans-59.2-44.4178.700000112N466 Y470 L471N466-A468 PolarHBondContact O-N 2.87Å; N466-A468 VanDerWaalsContact O-N 3.1Å; A468-Y470 PolarHBondContact O-N 3.34Å; A468-L471 PolarHBondContact O-N 2.75Å
469D92.6Very high92.5Very high68 Ų6860.3 Ų60.336%0.36431%0.306SS..G310 helixtrans-56.7-21175.3-7037.7000113.9N420 R422 N466 R467N420-D469 PolarHBondContact ND2-O 3.29Å; R422-D469 IonicContact CZ-OD2 2.95Å; R422-D469 VanDerWaalsContact CZ-OD2 3.31Å; R422-D469 IonicContact NH1-OD2 2.74Å; R422-D469 PolarHBondContact NH1-OD2 3.18Å; R422-D469 VanDerWaalsContact NH1-OD2 3.1Å; R422-D469 IonicContact NH2-OD2 3.81Å; R422-D469 PolarHBondContact NH2-OD2 3Å; N466-D469 PolarHBondContact O-N 3.01Å; R467-D469 VanDerWaalsContact C-N 3.35Å; R467-D469 PolarHBondContact O-N 3.04Å
470Y95.6Very high91.7Very high4 Ų465 Ų652%0.01634%0.339CS..G310 helixtrans-105.8-6.3-172.5-55.9-47.3000113.5F419 N420 R422 F423 H426 L463 N466 R467 A468F419-Y470 CarbonylContact C-O 3.59Å; F419-Y470 WeakPolarHBondContact CA-O 3.02Å; N420-Y470 VanDerWaalsContact CG-O 3.29Å; N420-Y470 PolarHBondContact N-O 3.17Å; N420-Y470 VanDerWaalsContact ND2-C 3.26Å; N420-Y470 WeakPolarHBondContact ND2-CA 3.47Å; N420-Y470 PolarHBondContact ND2-O 3.18Å; R422-Y470 HydrophobicContact CG-CE1 4.34Å; F423-Y470 HydrophobicContact CB-CD1 3.98Å; F423-Y470 HydrophobicContact CB-CG 4.13Å; F423-Y470 HydrophobicContact CD2-CD1 4.13Å; F423-Y470 AromaticContact CD2-CD2 3.98Å; F423-Y470 HydrophobicContact CD2-CD2 3.98Å; F423-Y470 AromaticContact CD2-CG 3.72Å; F423-Y470 HydrophobicContact CD2-CG 3.72Å; F423-Y470 HydrophobicContact CG-CG 4.36Å; H426-Y470 HydrophobicContact CB-CE1 4.33Å; H426-Y470 AromaticContact CE1-CE1 3.91Å; H426-Y470 AromaticContact CG-CE1 3.92Å; H426-Y470 AromaticContact ND1-CE1 3.43Å; H426-Y470 WeakPolarHBondContact ND1-CE1 3.29Å; H426-Y470 AromaticContact ND1-CZ 3.55Å; H426-Y470 PolarHBondContact ND1-OH 3.21Å; L463-Y470 HydrophobicContact CB-CE2 4.13Å; L463-Y470 HydrophobicContact CD2-CE2 3.64Å; L463-Y470 WeakPolarHBondContact CD2-OH 3.42Å; L463-Y470 HydrophobicContact CG-CE2 4.49Å; L463-Y470 WeakPolarHBondContact O-CE2 3.46Å; N466-Y470 HydrophobicContact CB-CE2 4.12Å; N466-Y470 WeakPolarHBondContact O-CD2 3.38Å; N466-Y470 WeakPolarHBondContact O-CE2 3.35Å; R467-Y470 PolarHBondContact O-N 2.79Å; R467-Y470 VanDerWaalsContact O-N 3.1Å; A468-Y470 PolarHBondContact O-N 3.34Å
471L94.4Very high91Very high64 Ų6467.2 Ų67.234%0.33535%0.35SS..BIsolated β-bridgetrans-70.4138.4179.4-70.2171.8000111.4L363 E418 N420 R467 A468L363-L471 HydrophobicContact CD1-CD2 3.64Å; L363-L471 HydrophobicContact CD1-CG 4.36Å; E418-L471 HydrophobicContact CG-CD2 3.88Å; E418-L471 WeakPolarHBondContact O-CA 3.38Å; N420-L471 PolarHBondContact ND2-O 2.61Å; N420-L471 VanDerWaalsContact ND2-O 3.09Å; R467-L471 PolarHBondContact O-N 3.11Å; A468-L471 PolarHBondContact O-N 2.75Å
472N92.6Very high90.2Very high17 Ų1766.1 Ų66.19%0.09134%0.339CS..  trans-84.4119.8169.9174.89.9000109.4P414 F417 E418 L474 F475P414-N472 PolarHBondContact O-ND2 2.69Å; F417-N472 WeakPolarHBondContact O-CB 3.41Å; F417-N472 PolarHBondContact O-ND2 3.24Å; E418-N472 WeakPolarHBondContact O-CB 3.01Å; E418-N472 PolarHBondContact O-N 3.23Å; N472-L474 PolarHBondContact O-N 3.19Å; N472-L474 WeakPolarHBondContact OD1-CB 3.33Å; N472-L474 PolarHBondContact OD1-N 3.27Å; N472-F475 HydrophobicContact CB-CB 4.15Å; N472-F475 WeakPolarHBondContact O-CB 3.26Å; N472-F475 PolarHBondContact O-N 3.45Å; N472-F475 VanDerWaalsContact O-N 3.15Å
473P88.8Confident89.7Confident36 Ų3668.2 Ų68.223%0.23435%0.349CS..THydrogen-bonded Turntrans-69.3-17.7-179.230.8-36.2000113.2T518 L521 M522 K525P473-T518 HydrophobicContact CG-CG2 4.5Å; P473-L521 HydrophobicContact CG-CB 4.33Å; P473-M522 HydrophobicContact CB-SD 3.9Å; P473-M522 HydrophobicContact CG-CG 3.97Å; P473-M522 HydrophobicContact CG-SD 3.66Å; P473-K525 HydrophobicContact CB-CD 4.05Å
474L89Confident89.2Confident60 Ų6070 Ų7031%0.31437%0.368SS..THydrogen-bonded Turntrans-88-8.3175.9-61.6178000113.1P414 C415 N472 R476 L521P414-L474 HydrophobicContact CB-CD1 4.01Å; C415-L474 WeakPolarHBondContact CA-O 3.36Å; C415-L474 WeakPolarHBondContact CB-O 3.31Å; N472-L474 PolarHBondContact O-N 3.19Å; N472-L474 WeakPolarHBondContact OD1-CB 3.33Å; N472-L474 PolarHBondContact OD1-N 3.27Å; L474-R476 PolarHBondContact O-N 2.6Å; L474-L521 HydrophobicContact CD1-CD1 3.99Å; L474-L521 HydrophobicContact CD2-CD1 3.91Å; L474-L521 HydrophobicContact CG-CD1 4.08Å
475F91.4Very high89Confident58 Ų5866.9 Ų66.925%0.25436%0.359SS..  trans-65.9129176.8-179.9-106.3000110.8C415 F417 E418 N472 T482C415-F475 WeakPolarHBondContact O-CD2 3.3Å; F417-F475 WeakPolarHBondContact O-CD2 3.23Å; E418-F475 HydrophobicContact CB-CD1 4.11Å; E418-F475 HydrophobicContact CB-CD2 4.13Å; E418-F475 HydrophobicContact CB-CE1 4.1Å; E418-F475 HydrophobicContact CB-CE2 4.1Å; E418-F475 HydrophobicContact CB-CG 4.12Å; E418-F475 HydrophobicContact CB-CZ 4.09Å; E418-F475 HydrophobicContact CG-CD1 3.98Å; E418-F475 HydrophobicContact CG-CE1 4.03Å; E418-F475 HydrophobicContact CG-CG 4.41Å; E418-F475 HydrophobicContact CG-CZ 4.49Å; N472-F475 HydrophobicContact CB-CB 4.15Å; N472-F475 WeakPolarHBondContact O-CB 3.26Å; N472-F475 PolarHBondContact O-N 3.45Å; N472-F475 VanDerWaalsContact O-N 3.15Å; F475-T482 HydrophobicContact CD2-CG2 3.67Å; F475-T482 HydrophobicContact CE2-CG2 3.4Å; F475-T482 HydrophobicContact CZ-CG2 4.22Å
476R81.9Confident88.9Confident136 Ų13660 Ų6051%0.51333%0.329SS..  trans-139.9108.5-176.6-85.8-169.365.4160.33.8110L474 D478 H479 T482L474-R476 PolarHBondContact O-N 2.6Å; R476-D478 WeakPolarHBondContact CB-OD1 3.48Å; R476-D478 IonicContact CZ-OD1 2.8Å; R476-D478 IonicContact CZ-OD2 2.8Å; R476-D478 IonicContact NE-OD1 3.97Å; R476-D478 PolarHBondContact NE-OD1 3.24Å; R476-D478 IonicContact NE-OD2 3.13Å; R476-D478 IonicContact NH2-OD1 3.43Å; R476-D478 PolarHBondContact NH2-OD1 2.93Å; R476-D478 IonicContact NH2-OD2 3.89Å; R476-D478 PolarHBondContact NH2-OD2 3.31Å; R476-D478 PolarHBondContact O-N 2.96Å; R476-H479 HydrophobicContact CB-CB 3.75Å; R476-H479 VanDerWaalsContact O-CB 3.24Å; R476-H479 WeakPolarHBondContact O-CB 3.34Å; R476-H479 PolarHBondContact O-N 3.18Å; R476-T482 WeakPolarHBondContact O-CG2 3.36Å; R476-T482 PolarHBondContact O-OG1 3.34Å
477A83.4Confident88.4Confident65 Ų6562.1 Ų62.154%0.53734%0.337SS..THydrogen-bonded Turntrans-57.5-24.7-177.200000114T482 Q483A477-T482 PolarHBondContact O-OG1 3.37Å; A477-Q483 PolarHBondContact O-NE2 3.44Å
478D83.3Confident87.6Confident115 Ų11557 Ų5762%0.61532%0.319SS*.THydrogen-bonded Turntrans-88.5-1.5178.468.9-32.6000114.6R476R476-D478 WeakPolarHBondContact CB-OD1 3.48Å; R476-D478 IonicContact CZ-OD1 2.8Å; R476-D478 IonicContact CZ-OD2 2.8Å; R476-D478 IonicContact NE-OD1 3.97Å; R476-D478 PolarHBondContact NE-OD1 3.24Å; R476-D478 IonicContact NE-OD2 3.13Å; R476-D478 IonicContact NH2-OD1 3.43Å; R476-D478 PolarHBondContact NH2-OD1 2.93Å; R476-D478 IonicContact NH2-OD2 3.89Å; R476-D478 PolarHBondContact NH2-OD2 3.31Å; R476-D478 PolarHBondContact O-N 2.96Å
479H85.8Confident86.1Confident55 Ų5557 Ų5726%0.25531%0.313SS..SBendtrans-83.8148.3-173.9-166.8-107.2000112.6R476 Q481 T482R476-H479 HydrophobicContact CB-CB 3.75Å; R476-H479 VanDerWaalsContact O-CB 3.24Å; R476-H479 WeakPolarHBondContact O-CB 3.34Å; R476-H479 PolarHBondContact O-N 3.18Å; H479-Q481 WeakPolarHBondContact ND1-CB 3.22Å; H479-Q481 PolarHBondContact ND1-N 3.35Å; H479-Q481 PolarHBondContact O-N 2.95Å; H479-T482 PolarHBondContact O-N 2.86Å; H479-T482 PolarHBondContact O-OG1 2.99Å
480S82.6Confident84.2Confident98 Ų9859 Ų5969%0.68533%0.328SS*.G310 helixtrans-58.3-37.2179.5560000112.8T482 Q483S480-T482 VanDerWaalsContact C-N 3.31Å; S480-T482 PolarHBondContact O-N 2.97Å; S480-Q483 PolarHBondContact O-N 3.21Å
481Q82.4Confident82.3Confident51 Ų5161.1 Ų61.124%0.23835%0.346CS..G310 helixtrans-68.5-21.6177.5-64.3-178.3-7.800114.2R361 F413 A416 H479 Q483 L486R361-Q481 PolarHBondContact NH1-O 2.92Å; F413-Q481 HydrophobicContact CD1-CG 4.4Å; A416-Q481 HydrophobicContact CB-CB 4.08Å; A416-Q481 WeakPolarHBondContact CB-O 3.4Å; H479-Q481 WeakPolarHBondContact ND1-CB 3.22Å; H479-Q481 PolarHBondContact ND1-N 3.35Å; H479-Q481 PolarHBondContact O-N 2.95Å; Q481-Q483 VanDerWaalsContact C-N 3.34Å; Q481-L486 WeakPolarHBondContact O-CD2 3.41Å
482T80.5Confident80.2Confident8 Ų864.3 Ų64.35%0.04937%0.371CS..G310 helixtrans-88-5.1177.756.30000113.1P358 C415 F475 R476 A477 H479 S480P358-T482 WeakPolarHBondContact CB-O 3.42Å; C415-T482 WeakPolarHBondContact O-CG2 3.37Å; F475-T482 HydrophobicContact CD2-CG2 3.67Å; F475-T482 HydrophobicContact CE2-CG2 3.4Å; F475-T482 HydrophobicContact CZ-CG2 4.22Å; R476-T482 WeakPolarHBondContact O-CG2 3.36Å; R476-T482 PolarHBondContact O-OG1 3.34Å; A477-T482 PolarHBondContact O-OG1 3.37Å; H479-T482 PolarHBondContact O-N 2.86Å; H479-T482 PolarHBondContact O-OG1 2.99Å; S480-T482 VanDerWaalsContact C-N 3.31Å; S480-T482 PolarHBondContact O-N 2.97Å
483Q84.8Confident78Confident113 Ų11369 Ų6953%0.52840%0.403SS..SBendtrans-109.3148.1-176.1-62.6-60.5-27.100111.2A477 S480 Q481A477-Q483 PolarHBondContact O-NE2 3.44Å; S480-Q483 PolarHBondContact O-N 3.21Å; Q481-Q483 VanDerWaalsContact C-N 3.34Å
484G87.8Confident76.2Confident39 Ų3972 Ų7240%0.40242%0.418SS..SBendtrans55.9-149.3174.700000115.8P358 R361P358-G484 WeakPolarHBondContact CD-O 3.46Å; P358-G484 WeakPolarHBondContact CG-O 3.43Å; R361-G484 PolarHBondContact NH2-O 3.04Å
485T92.3Very high75Confident21 Ų2170.7 Ų70.713%0.12941%0.409CS..  trans-84.2137.4-179.2-65.20000111.6L355 L356 H487L355-T485 CarbonylContact O-C 3.54Å; L355-T485 VanDerWaalsContact O-CA 3.26Å; L355-T485 WeakPolarHBondContact O-CA 3.39Å; L356-T485 HydrophobicContact CD2-CG2 4.32Å; T485-H487 PolarHBondContact O-CD2 3.18Å; T485-H487 VanDerWaalsContact O-CD2 3.27Å; T485-H487 PolarHBondContact O-N 3.4Å
486L92.6Very high74.2Confident11 Ų1174.5 Ų74.56%0.05843%0.429CS..  trans-82105170.6-69.6178.8000110.7L355 F413 A416 F417 Q481L355-L486 HydrophobicContact CD2-CB 3.93Å; L355-L486 PolarHBondContact O-N 2.85Å; F413-L486 HydrophobicContact CD1-CD2 4.12Å; F413-L486 HydrophobicContact CD2-CD1 3.9Å; F413-L486 HydrophobicContact CD2-CD2 4.24Å; F413-L486 HydrophobicContact CD2-CG 4.48Å; F413-L486 HydrophobicContact CE1-CD2 4.32Å; F413-L486 HydrophobicContact CE2-CB 4.09Å; F413-L486 HydrophobicContact CE2-CD1 4.2Å; F413-L486 HydrophobicContact CE2-CD2 4.41Å; F413-L486 HydrophobicContact CE2-CG 4.48Å; F413-L486 HydrophobicContact CG-CD1 4.4Å; F413-L486 HydrophobicContact CG-CD2 4.08Å; F413-L486 HydrophobicContact CZ-CB 4.25Å; F413-L486 HydrophobicContact CZ-CD2 4.45Å; A416-L486 HydrophobicContact CB-CD1 4.2Å; A416-L486 HydrophobicContact CB-CD2 4.1Å; F417-L486 HydrophobicContact CE2-CD1 4.39Å; F417-L486 HydrophobicContact CZ-CD1 4.45Å; Q481-L486 WeakPolarHBondContact O-CD2 3.41Å
487H85.3Confident74.4Confident102 Ų10269.9 Ų69.947%0.47241%0.412SS..  trans-89.4118.3174.4-60.2-93.4000110.6E329 T485E329-H487 IonicContact OE1-CE1 2.6Å; E329-H487 PolarHBondContact OE1-CE1 2.74Å; E329-H487 IonicContact OE1-ND1 3.88Å; E329-H487 PolarHBondContact OE1-ND1 3.3Å; T485-H487 PolarHBondContact O-CD2 3.18Å; T485-H487 VanDerWaalsContact O-CD2 3.27Å; T485-H487 PolarHBondContact O-N 3.4Å
488L77.3Confident74.7Confident11 Ų1170.6 Ų70.66%0.05840%0.403CS..  trans-84.5129.9179.6-80.2151000111.1M317 I321 L355 L409 Q412 F413 T490 F495M317-L488 HydrophobicContact SD-CD1 4.41Å; I321-L488 HydrophobicContact CD1-CB 4.23Å; I321-L488 HydrophobicContact CD1-CD1 3.76Å; I321-L488 HydrophobicContact CG1-CB 4.45Å; I321-L488 HydrophobicContact CG1-CD1 3.57Å; L355-L488 HydrophobicContact CD1-CD1 4.31Å; L355-L488 HydrophobicContact CD2-CD1 3.67Å; L409-L488 HydrophobicContact CD2-CD1 3.77Å; L409-L488 HydrophobicContact CD2-CD2 4.3Å; Q412-L488 HydrophobicContact CG-CD2 4.31Å; F413-L488 HydrophobicContact CE2-CD2 3.55Å; F413-L488 HydrophobicContact CE2-CG 3.83Å; F413-L488 HydrophobicContact CZ-CD2 3.72Å; F413-L488 HydrophobicContact CZ-CG 3.87Å; L488-T490 PolarHBondContact O-N 3Å; L488-T490 PolarHBondContact O-OG1 3.23Å; L488-F495 HydrophobicContact CD2-CD2 3.5Å; L488-F495 HydrophobicContact CD2-CE2 3.47Å; L488-F495 VanDerWaalsContact CD2-CE2 3.47Å
489P64.4Low75.2Confident66 Ų6666.8 Ų66.843%0.42938%0.381SS..  trans-58.6113179.1-2232.1000110.3A491 N494P489-A491 PolarHBondContact O-N 2.99Å; P489-A491 VanDerWaalsContact O-N 3.1Å; P489-N494 HydrophobicContact CB-CB 4.01Å
490T53Low75.5Confident110 Ų11064.3 Ų64.368%0.67537%0.37SS*.  trans-79.910.2-173.6-36.10000112.6K325 L488K325-T490 PolarHBondContact NZ-OG1 3.15Å; L488-T490 PolarHBondContact O-N 3Å; L488-T490 PolarHBondContact O-OG1 3.23Å
491A54.8Low75.9Confident48 Ų4863 Ų6340%0.39736%0.36SS..SBendtrans-82.3132.1176.300000110.7P489 C493 N494P489-A491 PolarHBondContact O-N 2.99Å; P489-A491 VanDerWaalsContact O-N 3.1Å; A491-C493 PolarHBondContact O-N 3.09Å; A491-N494 PolarHBondContact O-N 2.99Å; A491-N494 VanDerWaalsContact O-N 3.17Å
492P50.5Low76.1Confident131 Ų13161.6 Ų61.685%0.85136%0.36SS*.THydrogen-bonded Turntrans-64.5-12.8-170.424.7-34.7000115.1
493C46.1Very low76.7Confident115 Ų11561.4 Ų61.478%0.77736%0.358SS*.THydrogen-bonded Turntrans-92.9-10.7-179-53.90000114.4A491A491-C493 PolarHBondContact O-N 3.09Å
494N51.3Low77Confident100 Ų10056.5 Ų56.554%0.53534%0.335SS..THydrogen-bonded Turntrans-105.1-28.3-166-72.510000114.6P489 A491P489-N494 HydrophobicContact CB-CB 4.01Å; A491-N494 PolarHBondContact O-N 2.99Å; A491-N494 VanDerWaalsContact O-N 3.17Å
495F63Low77Confident32 Ų3255.8 Ų55.814%0.1432%0.322CS..  trans-97.599.9173.2-165.2-70.9000109.8M317 Q408 Q412 L488 Y497M317-F495 HydrophobicContact CG-CZ 4.43Å; Q408-F495 HydrophobicContact CB-CZ 4.19Å; Q412-F495 HydrophobicContact CG-CD2 3.57Å; Q412-F495 HydrophobicContact CG-CE2 3.26Å; Q412-F495 HydrophobicContact CG-CZ 3.94Å; L488-F495 HydrophobicContact CD2-CD2 3.5Å; L488-F495 HydrophobicContact CD2-CE2 3.47Å; L488-F495 VanDerWaalsContact CD2-CE2 3.47Å; F495-Y497 HydrophobicContact CD1-CD1 4.36Å; F495-Y497 AromaticContact CD1-CD2 3.59Å; F495-Y497 HydrophobicContact CD1-CD2 3.59Å; F495-Y497 HydrophobicContact CD1-CE1 4.09Å; F495-Y497 AromaticContact CD1-CE2 3.25Å; F495-Y497 HydrophobicContact CD1-CE2 3.25Å; F495-Y497 HydrophobicContact CD1-CG 4.1Å; F495-Y497 AromaticContact CD1-CZ 3.5Å; F495-Y497 VanDerWaalsContact CD1-CZ 3.5Å; F495-Y497 AromaticContact CE1-CD1 3.61Å; F495-Y497 HydrophobicContact CE1-CD1 3.61Å; F495-Y497 AromaticContact CE1-CD2 3.71Å; F495-Y497 HydrophobicContact CE1-CD2 3.71Å; F495-Y497 AromaticContact CE1-CE1 3.34Å; F495-Y497 HydrophobicContact CE1-CE1 3.34Å; F495-Y497 AromaticContact CE1-CE2 3.43Å; F495-Y497 HydrophobicContact CE1-CE2 3.43Å; F495-Y497 VanDerWaalsContact CE1-CE2 3.43Å; F495-Y497 AromaticContact CE1-CG 3.76Å; F495-Y497 HydrophobicContact CE1-CG 3.76Å; F495-Y497 AromaticContact CE1-CZ 3.19Å; F495-Y497 HydrophobicContact CG-CE2 4.36Å; F495-Y497 HydrophobicContact CZ-CE1 4.04Å
496M74.6Confident76.6Confident137 Ų13757.9 Ų57.968%0.67533%0.328SS*.  trans-101.4107.5175.9-171.5165.263.700110K498M496-K498 PolarHBondContact O-N 3.19Å
497Y86.6Confident76.2Confident40 Ų4061 Ų6116%0.15734%0.341CS..PPolyproline II helixtrans-61.4119.5172.4-69.5-92.2000109.4I313 K314 M317 F495I313-Y497 HydrophobicContact CG2-CD1 4.07Å; I313-Y497 HydrophobicContact CG2-CE1 4.15Å; K314-Y497 VanDerWaalsContact CA-CE1 3.48Å; K314-Y497 VanDerWaalsContact CA-CZ 3.49Å; K314-Y497 HydrophobicContact CB-CD1 4.33Å; K314-Y497 HydrophobicContact CB-CD2 4.23Å; K314-Y497 HydrophobicContact CB-CE1 3.83Å; K314-Y497 HydrophobicContact CB-CE2 3.72Å; K314-Y497 HydrophobicContact CD-CD2 4.45Å; K314-Y497 HydrophobicContact CD-CE2 3.85Å; K314-Y497 HydrophobicContact CG-CD2 4.39Å; K314-Y497 HydrophobicContact CG-CE1 4.38Å; K314-Y497 HydrophobicContact CG-CE2 3.55Å; M317-Y497 HydrophobicContact CB-CE1 4.21Å; M317-Y497 WeakPolarHBondContact CB-OH 3.27Å; M317-Y497 HydrophobicContact CG-CE1 4.5Å; M317-Y497 WeakPolarHBondContact CG-OH 3.4Å; F495-Y497 HydrophobicContact CD1-CD1 4.36Å; F495-Y497 AromaticContact CD1-CD2 3.59Å; F495-Y497 HydrophobicContact CD1-CD2 3.59Å; F495-Y497 HydrophobicContact CD1-CE1 4.09Å; F495-Y497 AromaticContact CD1-CE2 3.25Å; F495-Y497 HydrophobicContact CD1-CE2 3.25Å; F495-Y497 HydrophobicContact CD1-CG 4.1Å; F495-Y497 AromaticContact CD1-CZ 3.5Å; F495-Y497 VanDerWaalsContact CD1-CZ 3.5Å; F495-Y497 AromaticContact CE1-CD1 3.61Å; F495-Y497 HydrophobicContact CE1-CD1 3.61Å; F495-Y497 AromaticContact CE1-CD2 3.71Å; F495-Y497 HydrophobicContact CE1-CD2 3.71Å; F495-Y497 AromaticContact CE1-CE1 3.34Å; F495-Y497 HydrophobicContact CE1-CE1 3.34Å; F495-Y497 AromaticContact CE1-CE2 3.43Å; F495-Y497 HydrophobicContact CE1-CE2 3.43Å; F495-Y497 VanDerWaalsContact CE1-CE2 3.43Å; F495-Y497 AromaticContact CE1-CG 3.76Å; F495-Y497 HydrophobicContact CE1-CG 3.76Å; F495-Y497 AromaticContact CE1-CZ 3.19Å; F495-Y497 HydrophobicContact CG-CE2 4.36Å; F495-Y497 HydrophobicContact CZ-CE1 4.04Å
498K90.3Very high75.7Confident79 Ų7958 Ų5834%0.34333%0.327SS..PPolyproline II helixtrans-96.1151.7-178.9-64.9179.4-170.5173.50110.6L310 W407 Q408 E411 M496L310-K498 WeakPolarHBondContact CD2-O 3.16Å; W407-K498 HydrophobicContact CH2-CB 3.71Å; W407-K498 HydrophobicContact CZ3-CB 3.93Å; Q408-K498 PolarHBondContact NE2-O 3.1Å; E411-K498 HydrophobicContact CG-CD 4.46Å; E411-K498 VanDerWaalsContact OE2-CD 3.25Å; E411-K498 WeakPolarHBondContact OE2-CD 3.42Å; E411-K498 WeakPolarHBondContact OE2-CE 3.25Å; E411-K498 IonicContact OE2-NZ 3.13Å; E411-K498 PolarHBondContact OE2-NZ 2.63Å; M496-K498 PolarHBondContact O-N 3.19Å
499F92.5Very high74.9Confident36 Ų3664.4 Ų64.416%0.15836%0.355CS..PPolyproline II helixtrans-74.8126.1165.9174.4-106.7000110M286 F300 L304 S501 Y504M286-F499 HydrophobicContact CG-CE2 4.25Å; M286-F499 HydrophobicContact SD-CD2 4.43Å; M286-F499 HydrophobicContact SD-CE2 3.96Å; F300-F499 HydrophobicContact CE1-CD1 4.49Å; F300-F499 AromaticContact CZ-CD1 3.88Å; F300-F499 HydrophobicContact CZ-CD1 3.88Å; F300-F499 HydrophobicContact CZ-CD2 4.49Å; F300-F499 AromaticContact CZ-CE1 3.89Å; F300-F499 HydrophobicContact CZ-CE1 3.89Å; F300-F499 HydrophobicContact CZ-CG 4.18Å; F300-F499 HydrophobicContact CZ-CZ 4.21Å; L304-F499 HydrophobicContact CD1-CD2 3.78Å; L304-F499 HydrophobicContact CD1-CE2 4.32Å; L304-F499 HydrophobicContact CD2-CB 3.91Å; L304-F499 HydrophobicContact CD2-CD2 4.19Å; L304-F499 HydrophobicContact CD2-CG 4.27Å; F499-S501 VanDerWaalsContact C-N 3.33Å; F499-S501 PolarHBondContact O-N 3.25Å; F499-Y504 AromaticContact CE2-CD2 3.8Å; F499-Y504 HydrophobicContact CE2-CD2 3.8Å; F499-Y504 HydrophobicContact CE2-CG 4.32Å; F499-Y504 HydrophobicContact CZ-CD2 4.07Å; F499-Y504 HydrophobicContact CZ-CG 4.29Å
500W93.4Very high74.2Confident2 Ų263.5 Ų63.51%0.00836%0.357CS..  trans-8175.4-177.7-168.46.3000112.6I403 E404 W407 E421 L424 I425 G502 M503 Y504I403-W500 HydrophobicContact CG2-CH2 3.81Å; I403-W500 HydrophobicContact CG2-CZ3 3.94Å; E404-W500 HydrophobicContact CB-CE3 3.83Å; E404-W500 HydrophobicContact CB-CZ3 4.01Å; E404-W500 HydrophobicContact CG-CE3 3.87Å; E404-W500 HydrophobicContact CG-CZ3 4.5Å; W407-W500 HydrophobicContact CB-CD2 4.09Å; W407-W500 HydrophobicContact CB-CE3 4.01Å; W407-W500 HydrophobicContact CB-CH2 3.82Å; W407-W500 HydrophobicContact CB-CZ2 3.93Å; W407-W500 HydrophobicContact CB-CZ3 3.87Å; W407-W500 AromaticContact CD1-CE2 3.48Å; W407-W500 VanDerWaalsContact CD1-CE2 3.48Å; W407-W500 AromaticContact CD1-CZ2 3.67Å; W407-W500 AromaticContact CD1-NE1 3.54Å; W407-W500 HydrophobicContact CD2-CB 4.16Å; W407-W500 AromaticContact CD2-CD1 3.7Å; W407-W500 AromaticContact CD2-CD2 3.68Å; W407-W500 HydrophobicContact CD2-CD2 3.68Å; W407-W500 AromaticContact CD2-CE2 3.85Å; W407-W500 HydrophobicContact CD2-CE3 4.32Å; W407-W500 AromaticContact CD2-CG 3.61Å; W407-W500 HydrophobicContact CD2-CG 3.61Å; W407-W500 AromaticContact CD2-NE1 3.88Å; W407-W500 AromaticContact CE2-CD1 3.35Å; W407-W500 AromaticContact CE2-CG 3.76Å; W407-W500 AromaticContact CE2-NE1 3.58Å; W407-W500 HydrophobicContact CE3-CB 3.77Å; W407-W500 HydrophobicContact CE3-CD2 4.04Å; W407-W500 HydrophobicContact CE3-CE3 4.47Å; W407-W500 AromaticContact CE3-CG 3.74Å; W407-W500 HydrophobicContact CE3-CG 3.74Å; W407-W500 AromaticContact CG-CD2 3.69Å; W407-W500 HydrophobicContact CG-CD2 3.69Å; W407-W500 AromaticContact CG-CE2 3.51Å; W407-W500 HydrophobicContact CG-CE3 4.12Å; W407-W500 HydrophobicContact CG-CG 4.13Å; W407-W500 HydrophobicContact CG-CH2 4.17Å; W407-W500 AromaticContact CG-CZ2 3.78Å; W407-W500 HydrophobicContact CG-CZ2 3.78Å; W407-W500 HydrophobicContact CG-CZ3 4.34Å; W407-W500 AromaticContact CG-NE1 3.87Å; W407-W500 HydrophobicContact CH2-CB 3.96Å; W407-W500 HydrophobicContact CH2-CG 4.16Å; W407-W500 HydrophobicContact CZ2-CB 4.34Å; W407-W500 AromaticContact CZ2-CD1 3.59Å; W407-W500 HydrophobicContact CZ2-CG 4.05Å; W407-W500 HydrophobicContact CZ3-CB 3.66Å; W407-W500 HydrophobicContact CZ3-CG 4.02Å; W407-W500 AromaticContact NE1-CD1 3.63Å; W407-W500 AromaticContact NE1-CE2 3.79Å; W407-W500 AromaticContact NE1-NE1 3.34Å; E421-W500 HydrophobicContact CG-CZ2 3.95Å; E421-W500 PolarHBondContact OE1-NE1 3.25Å; L424-W500 HydrophobicContact CB-CH2 3.92Å; L424-W500 HydrophobicContact CB-CZ2 4.32Å; L424-W500 HydrophobicContact CD1-CH2 4.13Å; I425-W500 HydrophobicContact CG1-CZ2 4.04Å; W500-G502 VanDerWaalsContact C-N 3.26Å; W500-G502 PolarHBondContact O-N 2.95Å; W500-M503 HydrophobicContact CB-CB 4.29Å; W500-M503 HydrophobicContact CD2-CB 3.4Å; W500-M503 HydrophobicContact CD2-CG 4.35Å; W500-M503 HydrophobicContact CE3-CB 3.72Å; W500-M503 HydrophobicContact CE3-CE 4.14Å; W500-M503 HydrophobicContact CE3-CG 4.18Å; W500-M503 HydrophobicContact CG-CB 3.64Å; W500-M503 HydrophobicContact CH2-CE 3.32Å; W500-M503 HydrophobicContact CZ2-CB 4.25Å; W500-M503 HydrophobicContact CZ2-CE 3.79Å; W500-M503 HydrophobicContact CZ3-CB 4.28Å; W500-M503 HydrophobicContact CZ3-CE 3.5Å; W500-M503 HydrophobicContact CZ3-CG 4.45Å; W500-M503 PolarHBondContact O-N 2.92Å; W500-Y504 HydrophobicContact CB-CD2 4.27Å; W500-Y504 HydrophobicContact CB-CE2 4.19Å; W500-Y504 VanDerWaalsContact O-CD2 3.28Å; W500-Y504 WeakPolarHBondContact O-CD2 3.24Å; W500-Y504 PolarHBondContact O-N 2.85Å; W500-Y504 VanDerWaalsContact O-N 3.11Å
501S89.6Confident74Confident70 Ų7064 Ų6449%0.4935%0.354SS..Hα-helixtrans-57.9-35.5178.855.30000113.5F499 M503 Y504 N505F499-S501 VanDerWaalsContact C-N 3.33Å; F499-S501 PolarHBondContact O-N 3.25Å; S501-M503 PolarHBondContact O-N 2.89Å; S501-Y504 PolarHBondContact O-N 2.96Å; S501-N505 WeakPolarHBondContact O-CA 3.28Å; S501-N505 PolarHBondContact O-N 2.93Å
502G88.5Confident73.4Confident22 Ų2270.5 Ų70.523%0.22738%0.375CS..Hα-helixtrans-66.9-16.4176.100000115.1E421 I425 W500 R506E421-G502 WeakPolarHBondContact OE1-CA 3.32Å; I425-G502 VanDerWaalsContact CD1-O 3.27Å; I425-G502 WeakPolarHBondContact CD1-O 3.21Å; W500-G502 VanDerWaalsContact C-N 3.26Å; W500-G502 PolarHBondContact O-N 2.95Å; G502-R506 VanDerWaalsContact O-CB 3.3Å; G502-R506 WeakPolarHBondContact O-CB 3.27Å
503M92.1Very high73.2Confident4 Ų469.1 Ų69.12%0.0237%0.367CS..Hα-helixtrans-90.9-57.2166.9179.363.771.700110.9F77 I425 Q428 W500 S501 R506F77-M503 HydrophobicContact CD2-CG 4.05Å; F77-M503 HydrophobicContact CD2-SD 4.22Å; F77-M503 HydrophobicContact CE2-CG 3.66Å; F77-M503 HydrophobicContact CE2-SD 3.77Å; I425-M503 HydrophobicContact CG1-CE 3.96Å; Q428-M503 HydrophobicContact CB-CE 3.77Å; Q428-M503 HydrophobicContact CB-SD 4.34Å; Q428-M503 HydrophobicContact CG-CE 3.74Å; Q428-M503 HydrophobicContact CG-SD 3.88Å; W500-M503 HydrophobicContact CB-CB 4.29Å; W500-M503 HydrophobicContact CD2-CB 3.4Å; W500-M503 HydrophobicContact CD2-CG 4.35Å; W500-M503 HydrophobicContact CE3-CB 3.72Å; W500-M503 HydrophobicContact CE3-CE 4.14Å; W500-M503 HydrophobicContact CE3-CG 4.18Å; W500-M503 HydrophobicContact CG-CB 3.64Å; W500-M503 HydrophobicContact CH2-CE 3.32Å; W500-M503 HydrophobicContact CZ2-CB 4.25Å; W500-M503 HydrophobicContact CZ2-CE 3.79Å; W500-M503 HydrophobicContact CZ3-CB 4.28Å; W500-M503 HydrophobicContact CZ3-CE 3.5Å; W500-M503 HydrophobicContact CZ3-CG 4.45Å; W500-M503 PolarHBondContact O-N 2.92Å; S501-M503 PolarHBondContact O-N 2.89Å; M503-R506 WeakPolarHBondContact O-CD 3.48Å; M503-R506 PolarHBondContact O-NH1 3.14Å; M503-R506 PolarHBondContact SD-NH1 2.67Å
504Y92.1Very high73.3Confident10 Ų1075.4 Ų75.44%0.03937%0.374CS..Hα-helixtrans-83.6-31.8-164-62.6-63.4000114.7F77 L283 M286 L287 W309 E404 F499 W500 S501F77-Y504 HydrophobicContact CD1-CD1 4.28Å; F77-Y504 HydrophobicContact CD1-CE1 4.5Å; F77-Y504 AromaticContact CD2-CD1 3.59Å; F77-Y504 HydrophobicContact CD2-CD1 3.59Å; F77-Y504 AromaticContact CD2-CE1 3.94Å; F77-Y504 HydrophobicContact CD2-CE1 3.94Å; F77-Y504 HydrophobicContact CE1-CD1 4.35Å; F77-Y504 HydrophobicContact CE1-CE1 4.11Å; F77-Y504 AromaticContact CE2-CD1 3.67Å; F77-Y504 HydrophobicContact CE2-CD1 3.67Å; F77-Y504 AromaticContact CE2-CE1 3.49Å; F77-Y504 HydrophobicContact CE2-CE1 3.49Å; F77-Y504 VanDerWaalsContact CE2-CE1 3.49Å; F77-Y504 AromaticContact CG-CD1 3.93Å; F77-Y504 HydrophobicContact CG-CD1 3.93Å; F77-Y504 HydrophobicContact CG-CE1 4.43Å; F77-Y504 HydrophobicContact CZ-CD1 4.07Å; F77-Y504 AromaticContact CZ-CE1 3.6Å; F77-Y504 HydrophobicContact CZ-CE1 3.6Å; L283-Y504 HydrophobicContact CD1-CE1 4.05Å; M286-Y504 HydrophobicContact CE-CD1 3.48Å; M286-Y504 VanDerWaalsContact CE-CD1 3.48Å; M286-Y504 HydrophobicContact CE-CD2 3.69Å; M286-Y504 HydrophobicContact CE-CE1 3.31Å; M286-Y504 HydrophobicContact CE-CE2 3.53Å; M286-Y504 HydrophobicContact CE-CG 3.68Å; M286-Y504 HydrophobicContact SD-CD2 4.38Å; M286-Y504 HydrophobicContact SD-CE2 4.17Å; L287-Y504 HydrophobicContact CD2-CD1 4.1Å; W309-Y504 VanDerWaalsContact CZ2-OH 3.27Å; W309-Y504 WeakPolarHBondContact CZ2-OH 3.35Å; W309-Y504 PolarHBondContact NE1-OH 2.99Å; E404-Y504 PolarHBondContact OE2-OH 2.99Å; F499-Y504 AromaticContact CE2-CD2 3.8Å; F499-Y504 HydrophobicContact CE2-CD2 3.8Å; F499-Y504 HydrophobicContact CE2-CG 4.32Å; F499-Y504 HydrophobicContact CZ-CD2 4.07Å; F499-Y504 HydrophobicContact CZ-CG 4.29Å; W500-Y504 HydrophobicContact CB-CD2 4.27Å; W500-Y504 HydrophobicContact CB-CE2 4.19Å; W500-Y504 VanDerWaalsContact O-CD2 3.28Å; W500-Y504 WeakPolarHBondContact O-CD2 3.24Å; W500-Y504 PolarHBondContact O-N 2.85Å; W500-Y504 VanDerWaalsContact O-N 3.11Å; S501-Y504 PolarHBondContact O-N 2.96Å
505N86.7Confident73.3Confident24 Ų2477 Ų7713%0.12838%0.378CS..SBendtrans-10910-176.5-64.817.2000112.7S501 F507 E508S501-N505 WeakPolarHBondContact O-CA 3.28Å; S501-N505 PolarHBondContact O-N 2.93Å; N505-F507 PolarHBondContact O-N 3.14Å; N505-E508 HydrophobicContact CB-CG 4.4Å; N505-E508 WeakPolarHBondContact O-CB 3.36Å; N505-E508 PolarHBondContact O-N 3.11Å
506R84.9Confident73.1Confident66 Ų6676.8 Ų76.825%0.24938%0.381CS..THydrogen-bonded Turntrans-59.7-15-170.473.9-174.3-174.8-110.624.4116.9N76 G502 M503N76-R506 PolarHBondContact O-NH1 2.98Å; G502-R506 VanDerWaalsContact O-CB 3.3Å; G502-R506 WeakPolarHBondContact O-CB 3.27Å; M503-R506 WeakPolarHBondContact O-CD 3.48Å; M503-R506 PolarHBondContact O-NH1 3.14Å; M503-R506 PolarHBondContact SD-NH1 2.67Å
507F83.4Confident72.7Confident75 Ų7575.5 Ų75.533%0.32938%0.38SS..THydrogen-bonded Turntrans-98.2-2.9178.4-62.4-73.7000113.6N76 Q78 N505 K509N76-F507 WeakPolarHBondContact O-CE2 3.38Å; Q78-F507 HydrophobicContact CB-CD1 4.41Å; Q78-F507 HydrophobicContact CB-CD2 3.61Å; Q78-F507 HydrophobicContact CB-CE1 4.42Å; Q78-F507 HydrophobicContact CB-CE2 3.63Å; Q78-F507 HydrophobicContact CB-CG 4.02Å; Q78-F507 HydrophobicContact CB-CZ 4.04Å; Q78-F507 HydrophobicContact CG-CB 4.24Å; Q78-F507 HydrophobicContact CG-CD1 3.89Å; Q78-F507 HydrophobicContact CG-CD2 3.88Å; Q78-F507 HydrophobicContact CG-CE1 4.18Å; Q78-F507 HydrophobicContact CG-CE2 4.17Å; Q78-F507 HydrophobicContact CG-CG 3.72Å; Q78-F507 HydrophobicContact CG-CZ 4.31Å; N505-F507 PolarHBondContact O-N 3.14Å; F507-K509 PolarHBondContact O-N 2.9Å
508E75.4Confident71.7Confident39 Ų3975.2 Ų75.218%0.18238%0.383CS..  trans-81.5110.8-179.1-61.4-168172.300111.6R17 N505 G510R17-E508 IonicContact CZ-OE1 3.33Å; R17-E508 IonicContact NH1-OE1 2.62Å; R17-E508 PolarHBondContact NH1-OE1 3.26Å; R17-E508 VanDerWaalsContact NH1-OE1 3.15Å; R17-E508 IonicContact NH2-OE1 2.74Å; R17-E508 PolarHBondContact NH2-OE1 3.29Å; N505-E508 HydrophobicContact CB-CG 4.4Å; N505-E508 WeakPolarHBondContact O-CB 3.36Å; N505-E508 PolarHBondContact O-N 3.11Å; E508-G510 VanDerWaalsContact C-N 3.31Å; E508-G510 PolarHBondContact O-N 3.17Å
509K59.1Low70.6Confident147 Ų14776.1 Ų76.164%0.63939%0.391SS*.SBendtrans-85.53.1-174-67165.8-177.7155.10114.6F507F507-K509 PolarHBondContact O-N 2.9Å
510G51.2Low69.6Low47 Ų4780.9 Ų80.949%0.48541%0.409SS..SBendtrans-118.7-24.4-168.700000115.7E508E508-G510 VanDerWaalsContact C-N 3.31Å; E508-G510 PolarHBondContact O-N 3.17Å
511M49.1Very low68.7Low121 Ų12183.7 Ų83.760%0.59642%0.424SS*.SBendtrans-70.4129.4156.5-70.6-168.3170.100106.5P513M511-P513 WeakPolarHBondContact O-CD 3.44Å
512Q41.2Very low68.1Low183 Ų18381.9 Ų81.986%0.85541%0.408SS*.PPolyproline II helixtrans-58.7128.2164.7-74.9-157.9-10.200106.9R514Q512-R514 PolarHBondContact O-N 3.12Å
513P45.3Very low67.6Low103 Ų10383.2 Ų83.267%0.66942%0.417SS*.PPolyproline II helixtrans-55.1118.2160.7-15.628.9000105M511 Q515M511-P513 WeakPolarHBondContact O-CD 3.44Å; P513-Q515 PolarHBondContact O-N 3.35Å
514R48.7Very low67Low247 Ų24785.5 Ų85.593%0.93243%0.431SS*.  trans-60.796.2146.3-77-177.8171.5174.5-3102.6Q512 S516Q512-R514 PolarHBondContact O-N 3.12Å; R514-S516 PolarHBondContact O-N 3.11Å; R514-S516 VanDerWaalsContact O-N 3.15Å
515Q52.2Low66.5Low134 Ų13489.9 Ų89.963%0.62645%0.45SS*.  trans-45.3127.1-178.9-72.2174.4-39.600106.1P513 V517P513-Q515 PolarHBondContact O-N 3.35Å; Q515-V517 PolarHBondContact O-N 3.16Å
516S58Low66.3Low27 Ų2793.7 Ų93.719%0.18947%0.467CS..  trans-53.8137.8178-1790000106.7R514 T518 D519 Y520R514-S516 PolarHBondContact O-N 3.11Å; R514-S516 VanDerWaalsContact O-N 3.15Å; S516-T518 PolarHBondContact O-N 3.08Å; S516-T518 VanDerWaalsContact O-N 3.08Å; S516-D519 VanDerWaalsContact CB-OD2 3.22Å; S516-D519 WeakPolarHBondContact CB-OD2 3.45Å; S516-D519 PolarHBondContact N-OD2 3.05Å; S516-D519 WeakPolarHBondContact O-CA 3.47Å; S516-D519 WeakPolarHBondContact O-CB 3.3Å; S516-D519 PolarHBondContact O-N 3.05Å; S516-Y520 PolarHBondContact O-N 3.49Å
517V66.3Low66.3Low110 Ų11096.2 Ų96.267%0.66748%0.482SS*.Hα-helixtrans-55.6-32.8178.7178.80000109Q515 L521Q515-V517 PolarHBondContact O-N 3.16Å; V517-L521 HydrophobicContact CG1-CD1 4.01Å; V517-L521 HydrophobicContact CG1-CG 4.45Å; V517-L521 WeakPolarHBondContact O-CB 3.37Å; V517-L521 WeakPolarHBondContact O-CD1 3.32Å; V517-L521 WeakPolarHBondContact O-CG 3.43Å; V517-L521 PolarHBondContact O-N 2.87Å
518T66Low66.4Low33 Ų3395.7 Ų95.720%0.20249%0.485CS..Hα-helixtrans-63.1-43.5170.5-45.60000113.7P473 S516 L521 M522P473-T518 HydrophobicContact CG-CG2 4.5Å; S516-T518 PolarHBondContact O-N 3.08Å; S516-T518 VanDerWaalsContact O-N 3.08Å; T518-L521 PolarHBondContact O-N 3.42Å; T518-M522 WeakPolarHBondContact O-CB 3.37Å; T518-M522 WeakPolarHBondContact O-CG 3.48Å; T518-M522 PolarHBondContact O-N 3.38Å
519D67.6Low66.8Low98 Ų9898.5 Ų98.552%0.52450%0.498SS..Hα-helixtrans-64.3-42.4177-62.1-27.5000111S516 M522 A523S516-D519 VanDerWaalsContact CB-OD2 3.22Å; S516-D519 WeakPolarHBondContact CB-OD2 3.45Å; S516-D519 PolarHBondContact N-OD2 3.05Å; S516-D519 WeakPolarHBondContact O-CA 3.47Å; S516-D519 WeakPolarHBondContact O-CB 3.3Å; S516-D519 PolarHBondContact O-N 3.05Å; D519-M522 PolarHBondContact O-N 3.4Å; D519-A523 WeakPolarHBondContact O-CB 3.49Å; D519-A523 PolarHBondContact O-N 2.93Å
520Y70.9Confident68.2Low137 Ų13797 Ų9754%0.53749%0.494SS..Hα-helixtrans-65-44176.5-176.6-97.4000111.2S516 M522 A523 V524S516-Y520 PolarHBondContact O-N 3.49Å; Y520-M522 VanDerWaalsContact C-N 3.33Å; Y520-M522 PolarHBondContact O-N 2.95Å; Y520-A523 PolarHBondContact O-N 3.39Å; Y520-V524 HydrophobicContact CD1-CG2 4.16Å; Y520-V524 HydrophobicContact CE1-CG2 3.74Å; Y520-V524 HydrophobicContact CE2-CG2 4.33Å; Y520-V524 WeakPolarHBondContact O-CB 3.21Å; Y520-V524 VanDerWaalsContact O-CG2 3.31Å; Y520-V524 WeakPolarHBondContact O-CG2 3.44Å; Y520-V524 PolarHBondContact O-N 3.42Å
521L75.6Confident70.1Confident60 Ų6099.6 Ų99.631%0.31450%0.496SS..Hα-helixtrans-62.9-37.2174.4-74.8167.4000112.6P473 L474 V517 T518 K525P473-L521 HydrophobicContact CG-CB 4.33Å; L474-L521 HydrophobicContact CD1-CD1 3.99Å; L474-L521 HydrophobicContact CD2-CD1 3.91Å; L474-L521 HydrophobicContact CG-CD1 4.08Å; V517-L521 HydrophobicContact CG1-CD1 4.01Å; V517-L521 HydrophobicContact CG1-CG 4.45Å; V517-L521 WeakPolarHBondContact O-CB 3.37Å; V517-L521 WeakPolarHBondContact O-CD1 3.32Å; V517-L521 WeakPolarHBondContact O-CG 3.43Å; V517-L521 PolarHBondContact O-N 2.87Å; T518-L521 PolarHBondContact O-N 3.42Å; L521-K525 VanDerWaalsContact O-CB 3.24Å; L521-K525 WeakPolarHBondContact O-CB 3.44Å; L521-K525 PolarHBondContact O-N 2.79Å
522M75.5Confident72Confident32 Ų3299.8 Ų99.816%0.15850%0.495CS..Hα-helixtrans-65.7-47.5174.1-79.3-62.2-63.400111.4P473 T518 D519 Y520 V524 K525 E526P473-M522 HydrophobicContact CB-SD 3.9Å; P473-M522 HydrophobicContact CG-CG 3.97Å; P473-M522 HydrophobicContact CG-SD 3.66Å; T518-M522 WeakPolarHBondContact O-CB 3.37Å; T518-M522 WeakPolarHBondContact O-CG 3.48Å; T518-M522 PolarHBondContact O-N 3.38Å; D519-M522 PolarHBondContact O-N 3.4Å; Y520-M522 VanDerWaalsContact C-N 3.33Å; Y520-M522 PolarHBondContact O-N 2.95Å; M522-V524 PolarHBondContact O-N 3.5Å; M522-K525 WeakPolarHBondContact O-CB 3.44Å; M522-K525 PolarHBondContact O-N 3.33Å; M522-K525 VanDerWaalsContact O-N 3.15Å; M522-E526 WeakPolarHBondContact O-CG 3.45Å; M522-E526 PolarHBondContact O-N 3.49Å
523A78.1Confident74.4Confident51 Ų5196.3 Ų96.342%0.42148%0.479SS..Hα-helixtrans-60-45.2176.800000112.2D519 Y520 K525 E526 E527D519-A523 WeakPolarHBondContact O-CB 3.49Å; D519-A523 PolarHBondContact O-N 2.93Å; Y520-A523 PolarHBondContact O-N 3.39Å; A523-K525 VanDerWaalsContact C-N 3.32Å; A523-K525 PolarHBondContact O-N 3Å; A523-E526 PolarHBondContact O-N 3.13Å; A523-E527 WeakPolarHBondContact O-CB 3.43Å; A523-E527 PolarHBondContact O-N 2.9Å
524V80.6Confident76.7Confident51 Ų5197.3 Ų97.331%0.30948%0.475SS..Hα-helixtrans-63.3-37.2175.3170.20000111.5Y520 M522 T528Y520-V524 HydrophobicContact CD1-CG2 4.16Å; Y520-V524 HydrophobicContact CE1-CG2 3.74Å; Y520-V524 HydrophobicContact CE2-CG2 4.33Å; Y520-V524 WeakPolarHBondContact O-CB 3.21Å; Y520-V524 VanDerWaalsContact O-CG2 3.31Å; Y520-V524 WeakPolarHBondContact O-CG2 3.44Å; Y520-V524 PolarHBondContact O-N 3.42Å; M522-V524 PolarHBondContact O-N 3.5Å; V524-T528 WeakPolarHBondContact O-CB 3.39Å; V524-T528 PolarHBondContact O-N 2.63Å; V524-T528 PolarHBondContact O-OG1 3.3Å
525K80.6Confident78.7Confident102 Ų10290.3 Ų90.344%0.44346%0.455SS..Hα-helixtrans-67.7-43.6176.1-178.8-175.7172.8-172.20111.9P473 L521 M522 A523 T528 Q529P473-K525 HydrophobicContact CB-CD 4.05Å; L521-K525 VanDerWaalsContact O-CB 3.24Å; L521-K525 WeakPolarHBondContact O-CB 3.44Å; L521-K525 PolarHBondContact O-N 2.79Å; M522-K525 WeakPolarHBondContact O-CB 3.44Å; M522-K525 PolarHBondContact O-N 3.33Å; M522-K525 VanDerWaalsContact O-N 3.15Å; A523-K525 VanDerWaalsContact C-N 3.32Å; A523-K525 PolarHBondContact O-N 3Å; K525-T528 PolarHBondContact O-N 3.33Å; K525-Q529 PolarHBondContact O-N 3.04Å
526E83.1Confident80.7Confident104 Ų10490.3 Ų90.349%0.48646%0.455SS..Hα-helixtrans-63-43.2175.9-73.7173.6-168.500111.4M522 A523 Q529 Q530M522-E526 WeakPolarHBondContact O-CG 3.45Å; M522-E526 PolarHBondContact O-N 3.49Å; A523-E526 PolarHBondContact O-N 3.13Å; E526-Q529 PolarHBondContact O-N 3.27Å; E526-Q530 VanDerWaalsContact O-CG 3.3Å; E526-Q530 WeakPolarHBondContact O-CG 3.43Å; E526-Q530 PolarHBondContact O-N 3.11Å
527E83.9Confident82.4Confident120 Ų12091.8 Ų91.856%0.56147%0.469SS*.Hα-helixtrans-62.5-43.3173.6-175.1175.5-163.600111.5A523 Q529 Q530 L531A523-E527 WeakPolarHBondContact O-CB 3.43Å; A523-E527 PolarHBondContact O-N 2.9Å; E527-Q529 PolarHBondContact O-N 3Å; E527-Q530 PolarHBondContact O-N 2.91Å; E527-L531 HydrophobicContact CG-CD1 4.22Å; E527-L531 VanDerWaalsContact O-CG 3.28Å; E527-L531 WeakPolarHBondContact O-CG 3.42Å; E527-L531 PolarHBondContact O-N 3.43Å
528T86.1Confident83.6Confident64 Ų6491.4 Ų91.439%0.39346%0.463SS..Hα-helixtrans-61.1-46176-56.50000111.3V524 K525 Q530 L531 E532V524-T528 WeakPolarHBondContact O-CB 3.39Å; V524-T528 PolarHBondContact O-N 2.63Å; V524-T528 PolarHBondContact O-OG1 3.3Å; K525-T528 PolarHBondContact O-N 3.33Å; T528-Q530 PolarHBondContact O-N 2.89Å; T528-L531 PolarHBondContact O-N 3.26Å; T528-E532 WeakPolarHBondContact O-CG 3.37Å; T528-E532 PolarHBondContact O-N 3.45Å
529Q84.3Confident84.9Confident97 Ų9795.4 Ų95.445%0.45348%0.479SS..Hα-helixtrans-64.1-41.4178.5-174.9-178.6-26.500111.8K525 E526 E527 L531 E532 E533K525-Q529 PolarHBondContact O-N 3.04Å; E526-Q529 PolarHBondContact O-N 3.27Å; E527-Q529 PolarHBondContact O-N 3Å; Q529-L531 VanDerWaalsContact C-N 3.32Å; Q529-L531 PolarHBondContact O-N 3.34Å; Q529-E532 PolarHBondContact O-N 3.04Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.44Å; Q529-E533 PolarHBondContact NE2-OE1 3.47Å; Q529-E533 WeakPolarHBondContact O-CG 3.49Å; Q529-E533 PolarHBondContact O-N 3.49Å
530Q88.4Confident86.1Confident117 Ų11795.9 Ų95.955%0.54748%0.478SS..Hα-helixtrans-61.2-40.9175.2-73.4169.73100111.6E526 E527 T528 E533 E534E526-Q530 VanDerWaalsContact O-CG 3.3Å; E526-Q530 WeakPolarHBondContact O-CG 3.43Å; E526-Q530 PolarHBondContact O-N 3.11Å; E527-Q530 PolarHBondContact O-N 2.91Å; T528-Q530 PolarHBondContact O-N 2.89Å; Q530-E533 PolarHBondContact O-N 3.04Å; Q530-E534 WeakPolarHBondContact O-CB 3.41Å; Q530-E534 WeakPolarHBondContact O-CG 3.38Å; Q530-E534 PolarHBondContact O-N 3.02Å
531L89.9Confident87.1Confident101 Ų10197.6 Ų97.653%0.52948%0.484SS..Hα-helixtrans-67.6-34.9176-69.5169000112.8E527 T528 Q529 L535E527-L531 HydrophobicContact CG-CD1 4.22Å; E527-L531 VanDerWaalsContact O-CG 3.28Å; E527-L531 WeakPolarHBondContact O-CG 3.42Å; E527-L531 PolarHBondContact O-N 3.43Å; T528-L531 PolarHBondContact O-N 3.26Å; Q529-L531 VanDerWaalsContact C-N 3.32Å; Q529-L531 PolarHBondContact O-N 3.34Å; L531-L535 VanDerWaalsContact O-CB 3.28Å; L531-L535 WeakPolarHBondContact O-CB 3.47Å; L531-L535 PolarHBondContact O-N 2.72Å
532E90.4Very high87.8Confident125 Ų12599.7 Ų99.758%0.58450%0.495SS*.Hα-helixtrans-66.5-45.1173.2-73.4175.5165.400111.5T528 Q529 L535 E536T528-E532 WeakPolarHBondContact O-CG 3.37Å; T528-E532 PolarHBondContact O-N 3.45Å; Q529-E532 PolarHBondContact O-N 3.04Å; E532-L535 PolarHBondContact O-N 2.73Å; E532-E536 PolarHBondContact O-N 3.36Å
533E91.5Very high88.5Confident109 Ų109103.1 Ų103.151%0.50951%0.511SS..Hα-helixtrans-64-39.9175.8-71.4175.7-161.800112.2Q529 Q530 A537Q529-E533 WeakPolarHBondContact CG-OE1 3.44Å; Q529-E533 PolarHBondContact NE2-OE1 3.47Å; Q529-E533 WeakPolarHBondContact O-CG 3.49Å; Q529-E533 PolarHBondContact O-N 3.49Å; Q530-E533 PolarHBondContact O-N 3.04Å; E533-A537 WeakPolarHBondContact O-CB 3.5Å; E533-A537 PolarHBondContact O-N 2.88Å; E533-A537 VanDerWaalsContact O-N 3.1Å
534E92.9Very high88.9Confident125 Ų125106.2 Ų106.258%0.58451%0.514SS*.Hα-helixtrans-65.1-38.3172.7-78-167.4173.900112.4Q530 A537 L538Q530-E534 WeakPolarHBondContact O-CB 3.41Å; Q530-E534 WeakPolarHBondContact O-CG 3.38Å; Q530-E534 PolarHBondContact O-N 3.02Å; E534-A537 PolarHBondContact O-N 2.69Å; E534-L538 WeakPolarHBondContact O-CB 3.45Å; E534-L538 VanDerWaalsContact O-CG 3.25Å; E534-L538 WeakPolarHBondContact O-CG 3.44Å; E534-L538 PolarHBondContact O-N 2.77Å
535L91.8Very high89.3Confident100 Ų100108 Ų10852%0.52452%0.521SS..Hα-helixtrans-65.7-47.1178.4-174.6140.1000111.3L531 E532 A537 L538 E539L531-L535 VanDerWaalsContact O-CB 3.28Å; L531-L535 WeakPolarHBondContact O-CB 3.47Å; L531-L535 PolarHBondContact O-N 2.72Å; E532-L535 PolarHBondContact O-N 2.73Å; L535-A537 VanDerWaalsContact C-N 3.34Å; L535-A537 PolarHBondContact O-N 3.04Å; L535-L538 PolarHBondContact O-N 2.78Å; L535-L538 VanDerWaalsContact O-N 3.16Å; L535-E539 HydrophobicContact CD2-CG 4.3Å; L535-E539 WeakPolarHBondContact O-CG 3.49Å; L535-E539 PolarHBondContact O-N 3.05Å
536E93.1Very high89.4Confident133 Ų133108.6 Ų108.662%0.62153%0.525SS*.Hα-helixtrans-60.2-42.9175.5-172.9173.7-158.800111.4E532 L538 E539 E540E532-E536 PolarHBondContact O-N 3.36Å; E536-L538 VanDerWaalsContact C-N 3.32Å; E536-L538 PolarHBondContact O-N 3.06Å; E536-E539 PolarHBondContact O-N 2.98Å; E536-E540 PolarHBondContact O-N 3.39Å
537A92.9Very high89.3Confident59 Ų59109.2 Ų109.249%0.48853%0.527SS..Hα-helixtrans-64-33.6176.200000113.2E533 E534 L535 R541E533-A537 WeakPolarHBondContact O-CB 3.5Å; E533-A537 PolarHBondContact O-N 2.88Å; E533-A537 VanDerWaalsContact O-N 3.1Å; E534-A537 PolarHBondContact O-N 2.69Å; L535-A537 VanDerWaalsContact C-N 3.34Å; L535-A537 PolarHBondContact O-N 3.04Å; A537-R541 WeakPolarHBondContact O-CB 3.16Å; A537-R541 PolarHBondContact O-N 3.26Å
538L92.8Very high89Confident101 Ų101108.2 Ų108.253%0.52953%0.529SS..Hα-helixtrans-73.9-39.6174.5-74.8170.2000112.1E534 L535 E536 R541 L542E534-L538 WeakPolarHBondContact O-CB 3.45Å; E534-L538 VanDerWaalsContact O-CG 3.25Å; E534-L538 WeakPolarHBondContact O-CG 3.44Å; E534-L538 PolarHBondContact O-N 2.77Å; L535-L538 PolarHBondContact O-N 2.78Å; L535-L538 VanDerWaalsContact O-N 3.16Å; E536-L538 VanDerWaalsContact C-N 3.32Å; E536-L538 PolarHBondContact O-N 3.06Å; L538-R541 WeakPolarHBondContact O-CB 3.4Å; L538-R541 PolarHBondContact O-N 3.31Å; L538-L542 WeakPolarHBondContact O-CG 3.32Å; L538-L542 PolarHBondContact O-N 3.43Å
539E92.8Very high88.2Confident118 Ų118111.1 Ų111.155%0.55154%0.538SS*.Hα-helixtrans-62.8-46.9174.9-73-171.2159.500111.6L535 E536 R541 L542 E543L535-E539 HydrophobicContact CD2-CG 4.3Å; L535-E539 WeakPolarHBondContact O-CG 3.49Å; L535-E539 PolarHBondContact O-N 3.05Å; E536-E539 PolarHBondContact O-N 2.98Å; E539-R541 PolarHBondContact O-N 3.39Å; E539-L542 PolarHBondContact O-N 3.39Å; E539-E543 PolarHBondContact O-N 2.94Å
540E92.3Very high87.2Confident107 Ų107111.7 Ų111.750%0.554%0.543SS..Hα-helixtrans-54.6-40.5171.5-85.6-147.2147.800112E536 E543 K544E536-E540 PolarHBondContact O-N 3.39Å; E540-E543 PolarHBondContact O-N 2.76Å; E540-K544 WeakPolarHBondContact O-CB 3.45Å; E540-K544 WeakPolarHBondContact O-CD 3.25Å; E540-K544 WeakPolarHBondContact O-CG 3.43Å; E540-K544 PolarHBondContact O-N 3.04Å; E540-K544 IonicContact OE2-NZ 3.35Å; E540-K544 PolarHBondContact OE2-NZ 3.37Å
541R91.6Very high85.8Confident173 Ų173111 Ų11165%0.65354%0.543SS*.Hα-helixtrans-71.2-37.7-178-166.5172.5-175.4166.90.1111.4A537 L538 E539 K544 I545A537-R541 WeakPolarHBondContact O-CB 3.16Å; A537-R541 PolarHBondContact O-N 3.26Å; L538-R541 WeakPolarHBondContact O-CB 3.4Å; L538-R541 PolarHBondContact O-N 3.31Å; E539-R541 PolarHBondContact O-N 3.39Å; R541-K544 PolarHBondContact O-N 3.1Å; R541-I545 HydrophobicContact CG-CD1 4.35Å; R541-I545 VanDerWaalsContact O-CG1 3.28Å; R541-I545 WeakPolarHBondContact O-CG1 3.5Å; R541-I545 PolarHBondContact O-N 2.95Å
542L90.8Very high84.2Confident104 Ų104109.7 Ų109.755%0.54554%0.542SS..Hα-helixtrans-63.3-45.2171.7-74.5169.7000111.3L538 E539 K544 I545 Q546L538-L542 WeakPolarHBondContact O-CG 3.32Å; L538-L542 PolarHBondContact O-N 3.43Å; E539-L542 PolarHBondContact O-N 3.39Å; L542-K544 VanDerWaalsContact C-N 3.35Å; L542-K544 PolarHBondContact O-N 2.96Å; L542-I545 PolarHBondContact O-N 3.35Å; L542-Q546 WeakPolarHBondContact O-CG 3.41Å; L542-Q546 PolarHBondContact O-N 3.1Å
543E89.6Confident82.4Confident105 Ų105108.5 Ų108.549%0.49154%0.543SS..Hα-helixtrans-58.1-45.8174.1-78.9-149.6164.300112.4E539 E540 I545 Q546 K547E539-E543 PolarHBondContact O-N 2.94Å; E540-E543 PolarHBondContact O-N 2.76Å; E543-I545 VanDerWaalsContact C-N 3.31Å; E543-I545 PolarHBondContact O-N 3.4Å; E543-Q546 PolarHBondContact O-N 3.48Å; E543-K547 WeakPolarHBondContact O-CB 3.46Å; E543-K547 VanDerWaalsContact O-CG 3.31Å; E543-K547 WeakPolarHBondContact O-CG 3.33Å; E543-K547 PolarHBondContact O-N 2.95Å; E543-K547 IonicContact OE2-NZ 2.59Å; E543-K547 PolarHBondContact OE2-NZ 2.86Å
544K88.4Confident80.5Confident116 Ų116110.1 Ų110.150%0.50455%0.548SS..Hα-helixtrans-60.4-42.2178.7-72.5160.3-168.3165.50110.7E540 R541 L542 V548E540-K544 WeakPolarHBondContact O-CB 3.45Å; E540-K544 WeakPolarHBondContact O-CD 3.25Å; E540-K544 WeakPolarHBondContact O-CG 3.43Å; E540-K544 PolarHBondContact O-N 3.04Å; E540-K544 IonicContact OE2-NZ 3.35Å; E540-K544 PolarHBondContact OE2-NZ 3.37Å; R541-K544 PolarHBondContact O-N 3.1Å; L542-K544 VanDerWaalsContact C-N 3.35Å; L542-K544 PolarHBondContact O-N 2.96Å; K544-V548 WeakPolarHBondContact O-CG2 3.24Å; K544-V548 PolarHBondContact O-N 3.39Å
545I88.1Confident78.5Confident87 Ų87109.4 Ų109.445%0.44655%0.552SS.*Hα-helixtrans-66.1-44.6176.1-69.1165.6000111.5R541 L542 E543 K547 V548 Q549R541-I545 HydrophobicContact CG-CD1 4.35Å; R541-I545 VanDerWaalsContact O-CG1 3.28Å; R541-I545 WeakPolarHBondContact O-CG1 3.5Å; R541-I545 PolarHBondContact O-N 2.95Å; L542-I545 PolarHBondContact O-N 3.35Å; E543-I545 VanDerWaalsContact C-N 3.31Å; E543-I545 PolarHBondContact O-N 3.4Å; I545-K547 PolarHBondContact O-N 3.47Å; I545-V548 PolarHBondContact O-N 3.16Å; I545-Q549 PolarHBondContact O-N 3.34Å
546Q83.2Confident76.3Confident115 Ų115112.7 Ų112.754%0.53756%0.563SS.*Hα-helixtrans-61.7-44.1176.8-73.4-177.46.900111.8L542 E543 V548 Q549 L550L542-Q546 WeakPolarHBondContact O-CG 3.41Å; L542-Q546 PolarHBondContact O-N 3.1Å; E543-Q546 PolarHBondContact O-N 3.48Å; Q546-V548 VanDerWaalsContact C-N 3.31Å; Q546-V548 PolarHBondContact O-N 3.27Å; Q546-Q549 PolarHBondContact O-N 3.39Å; Q546-L550 WeakPolarHBondContact O-CD1 3.28Å; Q546-L550 PolarHBondContact O-N 2.76Å
547K80.1Confident74Confident118 Ų118111.1 Ų111.151%0.51357%0.566SS.*Hα-helixtrans-59.5-39.7175.1-74.6162.7179.8161.80111.6E543 I545 N551E543-K547 WeakPolarHBondContact O-CB 3.46Å; E543-K547 VanDerWaalsContact O-CG 3.31Å; E543-K547 WeakPolarHBondContact O-CG 3.33Å; E543-K547 PolarHBondContact O-N 2.95Å; E543-K547 IonicContact OE2-NZ 2.59Å; E543-K547 PolarHBondContact OE2-NZ 2.86Å; I545-K547 PolarHBondContact O-N 3.47Å; K547-N551 WeakPolarHBondContact O-CB 3.41Å; K547-N551 PolarHBondContact O-N 2.77Å; K547-N551 VanDerWaalsContact O-N 3.12Å; K547-N551 PolarHBondContact O-ND2 2.94Å
548V77.8Confident71.7Confident99 Ų99117 Ų11760%0.658%0.581SS**Hα-helixtrans-67.1-42.5174170.50000112K544 I545 Q546 N551 C552K544-V548 WeakPolarHBondContact O-CG2 3.24Å; K544-V548 PolarHBondContact O-N 3.39Å; I545-V548 PolarHBondContact O-N 3.16Å; Q546-V548 VanDerWaalsContact C-N 3.31Å; Q546-V548 PolarHBondContact O-N 3.27Å; V548-N551 PolarHBondContact O-N 3.02Å; V548-C552 WeakPolarHBondContact O-CB 3.36Å; V548-C552 PolarHBondContact O-N 3.46Å
549Q69.9Low69.4Low124 Ų124120.7 Ų120.758%0.57960%0.595SS**Hα-helixtrans-63.5-45175.7-80.2-178.5-25.300112.4I545 Q546 N551 C552 T553I545-Q549 PolarHBondContact O-N 3.34Å; Q546-Q549 PolarHBondContact O-N 3.39Å; Q549-N551 VanDerWaalsContact C-N 3.31Å; Q549-N551 PolarHBondContact O-N 3.32Å; Q549-C552 PolarHBondContact O-N 2.76Å; Q549-T553 PolarHBondContact O-N 3.1Å; Q549-T553 PolarHBondContact O-OG1 3.34Å
550L62.3Low66.6Low109 Ų109120.8 Ų120.857%0.57161%0.609SS**Hα-helixtrans-60.1-38.7175.6-94.8125.9000112.6Q546 K554Q546-L550 WeakPolarHBondContact O-CD1 3.28Å; Q546-L550 PolarHBondContact O-N 2.76Å; L550-K554 WeakPolarHBondContact O-CG 3.48Å; L550-K554 PolarHBondContact O-N 2.99Å
551N60.1Low63.8Low103 Ų103125.1 Ų125.155%0.55163%0.629SS**Hα-helixtrans-69.4-40.5174.8-74.9-19.8000112.3K547 V548 Q549 T553 K554 V555K547-N551 WeakPolarHBondContact O-CB 3.41Å; K547-N551 PolarHBondContact O-N 2.77Å; K547-N551 VanDerWaalsContact O-N 3.12Å; K547-N551 PolarHBondContact O-ND2 2.94Å; V548-N551 PolarHBondContact O-N 3.02Å; Q549-N551 VanDerWaalsContact C-N 3.31Å; Q549-N551 PolarHBondContact O-N 3.32Å; N551-T553 PolarHBondContact O-N 3.48Å; N551-K554 PolarHBondContact O-N 3.43Å; N551-V555 PolarHBondContact O-N 3.23Å
552C55.5Low61.7Low73 Ų73122.7 Ų122.749%0.49364%0.636SS.*Hα-helixtrans-65.7-37177.4-159.30000112.2V548 Q549 V555 K556V548-C552 WeakPolarHBondContact O-CB 3.36Å; V548-C552 PolarHBondContact O-N 3.46Å; Q549-C552 PolarHBondContact O-N 2.76Å; C552-V555 PolarHBondContact O-N 3.27Å; C552-K556 PolarHBondContact O-N 3.18Å
553T53.7Low58.8Low101 Ų101123.4 Ų123.462%0.6265%0.65SS**Hα-helixtrans-68.7-34.1175.7-50.90000112.3Q549 N551 V555 K556Q549-T553 PolarHBondContact O-N 3.1Å; Q549-T553 PolarHBondContact O-OG1 3.34Å; N551-T553 PolarHBondContact O-N 3.48Å; T553-V555 VanDerWaalsContact C-N 3.29Å; T553-V555 PolarHBondContact O-N 3.41Å; T553-K556 PolarHBondContact O-N 3.4Å
554K51.4Low56.1Low142 Ų142126.8 Ų126.862%0.61766%0.663SS**Hα-helixtrans-68.3-21.5172.6-78.7178.6177.5175.30114.3L550 N551 S557L550-K554 WeakPolarHBondContact O-CG 3.48Å; L550-K554 PolarHBondContact O-N 2.99Å; N551-K554 PolarHBondContact O-N 3.43Å; K554-S557 PolarHBondContact O-OG 2.92Å
555V50.5Low53.5Low110 Ų110129 Ų12967%0.66767%0.674SS**Hα-helixtrans-80.1-36.8174.2174.80000111N551 C552 T553 S557 K558N551-V555 PolarHBondContact O-N 3.23Å; C552-V555 PolarHBondContact O-N 3.27Å; T553-V555 VanDerWaalsContact C-N 3.29Å; T553-V555 PolarHBondContact O-N 3.41Å; V555-S557 VanDerWaalsContact C-N 3.31Å; V555-S557 PolarHBondContact O-N 3.21Å; V555-K558 PolarHBondContact O-N 3.19Å
556K46.4Very low50.7Low170 Ų170130.1 Ų130.174%0.73969%0.69SS**Hα-helixtrans-70.3-17.6-179.8-74.9-172.9174.8-177.80115.1C552 T553 K558C552-K556 PolarHBondContact O-N 3.18Å; T553-K556 PolarHBondContact O-N 3.4Å; K556-K558 VanDerWaalsContact C-N 3.31Å; K556-K558 PolarHBondContact O-N 3.39Å
557S44.1Very low48.1Very low99 Ų99127.9 Ų127.969%0.69270%0.698SS**THydrogen-bonded Turntrans-84.24.317859.50000115K554 V555K554-S557 PolarHBondContact O-OG 2.92Å; V555-S557 VanDerWaalsContact C-N 3.31Å; V555-S557 PolarHBondContact O-N 3.21Å
558K44.5Very low45.7Very low184 Ų184132 Ų13280%0.872%0.716SS**THydrogen-bonded Turntrans-107.90.4-179.1-89.5-169.6173.2-174.40116.1V555 K556V555-K558 PolarHBondContact O-N 3.19Å; K556-K558 VanDerWaalsContact C-N 3.31Å; K556-K558 PolarHBondContact O-N 3.39Å
559Q44.4Very low43.4Very low178 Ų178132 Ų13283%0.83272%0.721SS**  trans-144.595.8-179.6-71.6-173-16.300113.3
560S34.9Very low41.4Very low120 Ų120132 Ų13284%0.83973%0.729SS**  trans-169.5100.1152.243.20000112.8
561E31.7Very low40Very low197 Ų197131 Ų13192%0.92173%0.731SS**  trans-98.4157.3151.7-88.5-165147.600110
562P49.3Very low38.6Very low123 Ų123132.9 Ų132.980%0.79974%0.741SS**  trans-121.3120-157.536-20.3000115.7
563S29.7Very low37.5Very low119 Ų119136.9 Ų136.983%0.83276%0.758SS**  trans-174.9152.5160.256.70000112.2
564K33Very low36.5Very low175 Ų175136.7 Ų136.776%0.76176%0.761SS**  cis-173.8140.4-34.1-135.1-179-176.1-175.90106.8
565H32.8Very low35.6Very low163 Ų163137.9 Ų137.976%0.75577%0.772SS**  trans65.2155.2169.6-59.3-72.9000118.1
566S29.7Very low34.6Very low110 Ų110136 Ų13677%0.76977%0.769SS**  cis-178.1141.6-3452.70000110.1
567G28.7Very low33.9Very low68 Ų68135.2 Ų135.270%0.70177%0.772SS**  trans144.4109.4155.900000118.3
568F29.2Very low33.8Very low205 Ų205136.8 Ų136.890%0.89978%0.778SS**  trans36.8112.4147.2-75.6-101.1000119.9
569S28.8Very low33.4Very low100 Ų100133.4 Ų133.470%0.69978%0.775SS**  80.713974.9-1740000113.4
570T29.8Very low32.7Very low122 Ų122133.8 Ų133.875%0.74878%0.777SS**  cis-109.4-153.711.657.50000112.1
571S30.8Very low32.9Very low89 Ų89135 Ų13562%0.62277%0.774SS**  cis-160.2167.6-0.816.50000111.4
572D30.9Very low32.9Very low143 Ų143136.8 Ų136.877%0.76577%0.774SS**  trans39111156.8-49.4-18.4000119.5
573N34Very low32Very low156 Ų156136.1 Ų136.183%0.83477%0.772SS**  -158.7159.160.4-103.2-41.3000114.4
574S32.1Very low31.8Very low98 Ų98134 Ų13469%0.68577%0.769SS**  trans-36.1131.2178.753.30000116.7
575I31.5Very low31.5Very low166 Ų166133.1 Ų133.185%0.85177%0.773SS**  60.1132.160.4-57.6177.5000113.1
576A30.3Very low31.3Very low72 Ų72131.5 Ų131.560%0.59577%0.774SS**  cis-172156.6-25.600000109.1
577N31.2Very low31.2Very low153 Ų153136.3 Ų136.382%0.81878%0.781SS**  trans52.3128.4145.8-60.8-12.2000123.1
578T42.4Very low31Very low131 Ų131138.3 Ų138.380%0.80479%0.785SS**  trans-33.1151.6152.145.70000118.1
579P35.3Very low30.9Very low114 Ų114138.2 Ų138.274%0.7478%0.784SS**  -124.6141.2123.133.2-22.3000111.1
580Q30.7Very low31Very low186 Ų186139.4 Ų139.487%0.86979%0.789SS**  82.8138.461.6-147.9168.618.300113.4
581D40.1Very low30.8Very low146 Ų146138.9 Ų138.978%0.78179%0.791SS**  trans-64.6149.1-154.3-54.8-80000117.5
582Y30.5Very low30.6Very low234 Ų234146.7 Ų146.792%0.91881%0.807SS**  trans-150.8147.2150.1-116.7-82.6000112.8
583S30.1Very low30.3Very low109 Ų109144.9 Ų144.976%0.76281%0.806SS**  trans-88.6148.3-174.155.80000115
584G26Very low30.1Very low75 Ų75143.8 Ų143.877%0.77381%0.807SS**  trans129.3151.2140.400000119.4
585N26.4Very low29.8Very low156 Ų156144.4 Ų144.483%0.83481%0.811SS**  trans7094.5167.1-77.5-0.4000121
586T27.9Very low29.6Very low129 Ų129145.9 Ų145.979%0.79181%0.814SS**  -1.1133.4129.547.10000119
587K27.6Very low29.3Very low211 Ų211145.6 Ų145.692%0.91782%0.818SS**  trans-148.1144.9135.1-110.7168.1-171.1177.70110.9
588S26.3Very low29Very low110 Ų110146.7 Ų146.777%0.76982%0.824SS**  trans-90.8143.6-161490000114.7
589F26.8Very low28.3Very low202 Ų202149.2 Ų149.289%0.88683%0.827SS**  trans-71.8141.1159.2-75.1-93.3000110.7S591F589-S591 PolarHBondContact O-N 3.31Å
590P29.7Very low27.8Very low125 Ų125151.2 Ų151.281%0.81283%0.831SS**  trans-84.798.3-18032.2-32.9000112.2
591S25.6Very low27.6Very low112 Ų112148 Ų14878%0.78383%0.829SS**  trans-74.4127.3160.954.90000110.3F589F589-S591 PolarHBondContact O-N 3.31Å
592R26.7Very low26.8Very low252 Ų252145.3 Ų145.395%0.95183%0.827SS**  trans-117.697.6172.7-119.7-176-179.1-177.6-0.2111.1
593S24.8Very low26.5Very low106 Ų106141.6 Ų141.674%0.74182%0.822SS**  trans-84.8144164-49.40000109.5
594P29.2Very low26.3Very low133 Ų133142.6 Ų142.686%0.86482%0.818SS**  trans-89.3125171.532.8-29.3000110.8
595S27.1Very low26.2Very low110 Ų110147.5 Ų147.577%0.76983%0.826SS**  trans-126.9147.8165.758.30000110.2
596Q26.7Very low26.2Very low198 Ų198146.1 Ų146.193%0.92582%0.823SS**  trans-17.7145.9162.6-60.9161.3-23.900115.9
597G24.2Very low26Very low65 Ų65148.6 Ų148.667%0.6783%0.825SS**  cis171-171.52.500000108.5
598D25.7Very low25.9Very low176 Ų176145 Ų14594%0.94182%0.816SS**  trans-166.4131.6148.3-97.4-25.7000109.3
599E26.4Very low25.7Very low185 Ų185145.8 Ų145.886%0.86481%0.812SS**  trans-94.9139.9169.3-61-176.1134.600108.5
600D26.3Very low25.7Very low156 Ų156143.7 Ų143.783%0.83481%0.809SS**  -177.4127.5118.9-118.7-26.2000112.7
601S26Very low25.5Very low117 Ų117146.8 Ų146.882%0.81881%0.809SS**  trans156.5100.3137.3-73.10000110.4
602A23.5Very low25.5Very low90 Ų90147 Ų14774%0.74481%0.811SS**  trans-66.7157.7164.500000111.1
603L24.4Very low25.6Very low156 Ų156140 Ų14082%0.81780%0.801SS**  176.2143.5115.1-93.3166.8000114.3
604I25.8Very low25.7Very low131 Ų131142.3 Ų142.367%0.67281%0.805SS**  trans75.8105.4151.2-62.4157.7000118.4T606I604-T606 HydrophobicContact CG2-CG2 3.95Å
605L24Very low25.7Very low178 Ų178141.6 Ų141.693%0.93280%0.8SS**  trans-69.7134.2150.7-74155.4000110.4
606T25.1Very low25.7Very low126 Ų126144 Ų14477%0.77380%0.804SS**  trans-138.5122.1154.346.60000110.6I604I604-T606 HydrophobicContact CG2-CG2 3.95Å
607Q23.8Very low25.8Very low182 Ų182142.5 Ų142.585%0.8580%0.802SS**  trans-65.1135.1153.9-72.5164.9-7200108.4
608D25.4Very low26Very low134 Ų134145.5 Ų145.572%0.71781%0.813SS**  179.5143.5107.4-104.8-13.9000114.8
609N23.7Very low26.2Very low127 Ų127141.2 Ų141.268%0.67980%0.801SS**  trans41.9123.4144.7-63.7-56.9000121.9
610L26.3Very low26.5Very low159 Ų159140.3 Ų140.383%0.83280%0.802SS**  -174.299.6118.2-94.5161.2000107.9
611K25.2Very low26.7Very low189 Ų189138 Ų13882%0.82280%0.799SS**  73.3126.298.1-78.9-165.8179.5178.60116.2
612S25.5Very low27Very low116 Ų116138 Ų13881%0.81179%0.789SS**  trans-58.9147.2169.951.60000115
613S27.8Very low27.6Very low105 Ų105142.2 Ų142.273%0.73479%0.794SS**  trans-155.6110.4144.3560000111.4
614D27.1Very low28.4Very low156 Ų156136.9 Ų136.983%0.83477%0.765SS**  trans52.4130.8150.6-54-30.3000123.5
615P29.6Very low29.1Very low117 Ų117133 Ų13376%0.7675%0.749SS**  trans-92.1133.2160.335.6-27.3000110.9
616D27Very low29.6Very low160 Ų160127.7 Ų127.786%0.85674%0.737SS**  trans-162.2170.8148.2-124-33.2000112.3
617L29.5Very low29.9Very low167 Ų167126.4 Ų126.487%0.87473%0.729SS**  trans82.456.5-177.6-50.2179.2000116.9
618S28.5Very low30.3Very low129 Ų129125.3 Ų125.390%0.90272%0.724SS**  trans-145.163.1149.659.10000113.2
619A29.7Very low30.6Very low85 Ų85123.8 Ų123.870%0.70272%0.716SS**  trans-114139.8163.900000109.8
620N32Very low30.9Very low166 Ų166124.8 Ų124.889%0.88872%0.721SS**SBendtrans81.372.7178.6-48.2-39.1000117.4
621S31.6Very low31Very low108 Ų108121.7 Ų121.776%0.75571%0.712SS**  trans-142.212146.778.50000115.6Q623S621-Q623 VanDerWaalsContact C-N 3.32Å; S621-Q623 PolarHBondContact O-N 3.19Å
622D31.8Very low31.2Very low116 Ų116118 Ų11862%0.6271%0.709SS**  trans-81.874.4179.7-76.5-32.8000112.8
623Q36.1Very low31.3Very low179 Ų179123.6 Ų123.684%0.83671%0.712SS**  trans-124.574.8150.2-73.1-169.1-11.800108.7S621 S625S621-Q623 VanDerWaalsContact C-N 3.32Å; S621-Q623 PolarHBondContact O-N 3.19Å; Q623-S625 PolarHBondContact O-N 3.04Å
624E40.8Very low31.3Very low44 Ų44123.9 Ų123.921%0.20672%0.715CS.*  trans-54.7122.1164.8-165.6175.2-136.700107S339 R344 G626S339-E624 WeakPolarHBondContact CB-OE2 3.34Å; S339-E624 PolarHBondContact OG-OE2 2.67Å; R344-E624 IonicContact NH2-OE1 2.64Å; R344-E624 PolarHBondContact NH2-OE1 2.94Å; E624-G626 PolarHBondContact O-N 3.17Å
625S40.7Very low31.4Very low49 Ų49122.6 Ų122.634%0.34372%0.715SS.*  trans-49.884.1-153.160.10000116.4E394 Q623 V627E394-S625 PolarHBondContact OE1-OG 2.95Å; E394-S625 VanDerWaalsContact OE1-OG 3.05Å; Q623-S625 PolarHBondContact O-N 3.04Å; S625-V627 PolarHBondContact O-N 3.35Å
626G33.6Very low31.4Very low67 Ų67122.5 Ų122.569%0.69172%0.717SS**  trans-77.154.216800000112.5E624E624-G626 PolarHBondContact O-N 3.17Å
627V33.2Very low31.5Very low100 Ų100118.9 Ų118.961%0.60672%0.717SS**  trans-81.3119168.4-174.80000108.1R185 S625 D629R185-V627 PolarHBondContact NH2-O 2.72Å; S625-V627 PolarHBondContact O-N 3.35Å; V627-D629 PolarHBondContact O-N 2.88Å
628E31.1Very low31.3Very low159 Ų159114.4 Ų114.474%0.74371%0.712SS**  trans-64.2118.6165.1-68.8-170.7147.100108.5L630E628-L630 PolarHBondContact O-N 2.82Å
629D32.1Very low31.3Very low102 Ų102117.8 Ų117.855%0.54571%0.713SS.*  trans-81.586.2-177-157.3-29000109V627 S631V627-D629 PolarHBondContact O-N 2.88Å; D629-S631 PolarHBondContact O-N 3.34Å; D629-S631 VanDerWaalsContact O-N 3.08Å; D629-S631 WeakPolarHBondContact OD1-CB 2.98Å; D629-S631 PolarHBondContact OD1-OG 2.76Å
630L29.9Very low31.2Very low148 Ų148123.3 Ų123.378%0.77572%0.724SS**  trans-73.812.2-176.6-75.7170000113.9E628 C632E628-L630 PolarHBondContact O-N 2.82Å; L630-C632 PolarHBondContact O-N 3.27Å; L630-C632 VanDerWaalsContact O-N 3.11Å
631S28.7Very low31.1Very low93 Ų93119.9 Ų119.965%0.6572%0.719SS**  trans-72.75.6-179.161.50000115.2D629 R633D629-S631 PolarHBondContact O-N 3.34Å; D629-S631 VanDerWaalsContact O-N 3.08Å; D629-S631 WeakPolarHBondContact OD1-CB 2.98Å; D629-S631 PolarHBondContact OD1-OG 2.76Å; S631-R633 PolarHBondContact O-N 3.41Å
632C29.5Very low31.2Very low113 Ų113120.2 Ų120.276%0.76472%0.718SS**  trans-93.765.9175.1-720000113.4L630L630-C632 PolarHBondContact O-N 3.27Å; L630-C632 VanDerWaalsContact O-N 3.11Å
633R28.1Very low31Very low232 Ų232119.7 Ų119.788%0.87572%0.724SS**  trans-134.3104159-75-165.1178.8-158.20.9111.1S631S631-R633 PolarHBondContact O-N 3.41Å
634S27.6Very low30.7Very low112 Ų112120.6 Ų120.678%0.78373%0.728SS**  trans-61.2139.8168-48.40000110.3S636S634-S636 PolarHBondContact O-N 3.04Å; S634-S636 VanDerWaalsContact O-N 3.12Å
635P27.8Very low30.2Very low129 Ų129125.1 Ų125.184%0.83875%0.754SS**  trans-74104.4172.829.9-32.1000109.5G637P635-G637 PolarHBondContact O-N 2.82Å
636S29.4Very low29.8Very low115 Ų115128.1 Ų128.180%0.80478%0.775SS**  trans-64.4115.6163.448.80000108.8S634 G638S634-S636 PolarHBondContact O-N 3.04Å; S634-S636 VanDerWaalsContact O-N 3.12Å; S636-G638 PolarHBondContact O-N 2.87Å
637G29.2Very low29.6Very low84 Ų84128.3 Ų128.387%0.86678%0.776SS**  trans-62.1121.8-179.700000111.7P635P635-G637 PolarHBondContact O-N 2.82Å
638G26.2Very low29.6Very low73 Ų73132.5 Ų132.575%0.75379%0.786SS**  trans-103.8109.3166.200000109.1S636S636-G638 PolarHBondContact O-N 2.87Å
639E28.7Very low29.6Very low200 Ų200131 Ų13194%0.93578%0.783SS**  trans-75.2134.6168.1-68.8-174.2141.600109.7
640H28.2Very low29.6Very low201 Ų201135.9 Ų135.993%0.93179%0.794SS**  trans-79.6125.5171.7-84.4-61.6000110.6
641A29.2Very low29.6Very low94 Ų94134.3 Ų134.378%0.77779%0.787SS**  trans-130.7141.4154.300000108.6
642P32.6Very low29.8Very low115 Ų115134.9 Ų134.975%0.74779%0.791SS**  trans-100.8153.8-164.238.6-36.1000115.1
643S28.7Very low29.9Very low105 Ų105136.2 Ų136.273%0.73479%0.79SS**  trans44.6117.1143.464.10000121.4
644E29.9Very low30.2Very low198 Ų198134.1 Ų134.193%0.92579%0.79SS**  -175.9152.1129.4-101.7168.3-156.900106.4
645D29.6Very low30.4Very low139 Ų139132.4 Ų132.474%0.74378%0.783SS**  cis-177.3151.2-30177.325.5000104.8
646S32.1Very low30.7Very low112 Ų112131.7 Ų131.778%0.78378%0.776SS**  trans64.1156.5166.381.90000119.4
647G29.5Very low30.8Very low70 Ų70134.8 Ų134.872%0.72278%0.775SS**  trans136.444.6154.200000121.3
648K32.9Very low30.9Very low188 Ų188137.2 Ų137.282%0.81777%0.768SS**  trans37.2124.9141.4-81.1-174.2171.1-179.70122.4
649D31.9Very low31.5Very low128 Ų128139.7 Ų139.768%0.68477%0.769SS**  67.4119.3123.5-66.8-28000122.8
650R32.1Very low32.1Very low205 Ų205138.5 Ų138.577%0.77479%0.793SS**  91.8115.4122.7-75.4-175.4119.9151.59.5122.3
651D30.5Very low32.3Very low115 Ų115135.4 Ų135.462%0.61579%0.786SS**  72.2141119.6-57.7-14.9000120.8
652S31.6Very low32.5Very low105 Ų105137.6 Ų137.673%0.73479%0.787SS**  trans70.9148.7154.670.70000118.3
653D31.5Very low32.5Very low140 Ų140138.8 Ų138.875%0.74979%0.789SS**  cis-172.8153.4-32.6-108.5-39.4000105.5
654E34.3Very low32.7Very low188 Ų188140.8 Ų140.888%0.87979%0.792SS**  trans57173.1156.2-70.9-170.9154.200117.5
655A33.5Very low32.9Very low77 Ų77137.3 Ų137.364%0.63678%0.784SS**  cis-148.5143.7-41.700000108.7
656V33.6Very low33.1Very low114 Ų114137.1 Ų137.169%0.69179%0.786SS**  trans21.6123139.8-152.90000118
657F31Very low33.2Very low179 Ų179138.9 Ų138.979%0.78579%0.787SS**  178.5146.2106.6-106.2-86.8000114.4
658L32.4Very low33.5Very low135 Ų135144.2 Ų144.271%0.70779%0.792SS**  trans-7.8157.9155.3-57.3177000119
659T38Very low33.5Very low126 Ų126140.6 Ų140.677%0.77379%0.789SS**  cis-170.3147.716.420000109.8
660A42Very low33.7Very low175 Ų175141.7 Ų141.7100%1.44680%0.799SS**  trans-168.40138.500000109.4

Retrieved 660 of 660 residues in 192.5 ms (Link to these results)

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