A0A2K5L872_CERAT Loading...

Ras-related protein Rab-23

AlphaFold DB , UniProt , Accession A0A2K5L872, Species CERAT (Cercocebus atys, Sooty mangabey), Gene RAB23, Length 237 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
1M35.4Very low66.6Low242 Ų242105.1 Ų105.1100%1.19252%0.523SS*.  0101.60-75.7162130.300104.6E3M1-E3 PolarHBondContact O-N 3.29Å
2L39.8Very low69.1Low169 Ų16996.3 Ų96.389%0.88548%0.479SS*.  trans-71.5112.8169.1-73.8159.4000103.9E4L2-E4 VanDerWaalsContact C-N 3.35Å; L2-E4 PolarHBondContact O-N 2.63Å
3E45.8Very low71.1Confident170 Ų17088.9 Ų88.979%0.79444%0.442SS*.  trans-54111.3159.6-70.8174.5169.900104.2M1 D5M1-E3 PolarHBondContact O-N 3.29Å; E3-D5 PolarHBondContact O-N 3.16Å
4E52.1Low72.8Confident178 Ų17882.6 Ų82.683%0.83241%0.411SS*.  trans-64.699.2169.4-72.8-178.8170.100104.6L2 M6L2-E4 VanDerWaalsContact C-N 3.35Å; L2-E4 PolarHBondContact O-N 2.63Å; E4-M6 PolarHBondContact O-N 3.37Å
5D56.6Low74.2Confident139 Ų13977.1 Ų77.174%0.74338%0.383SS*.  trans-49103.3175.2-69-44.3000107.1E3 E7E3-D5 PolarHBondContact O-N 3.16Å; D5-E7 VanDerWaalsContact C-N 3.29Å; D5-E7 PolarHBondContact O-N 2.88Å
6M56Low75.4Confident117 Ų11772.4 Ų72.458%0.57636%0.361SS*.  trans-68.994-178.2-73.6-157.1-53.800107.6E4 V8 M184E4-M6 PolarHBondContact O-N 3.37Å; M6-V8 PolarHBondContact O-N 3.08Å; M6-M184 HydrophobicContact CE-CE 3.82Å
7E72.1Confident76.4Confident70 Ų7069.4 Ų69.433%0.32735%0.346SS..  trans-63.1108.5174.6-173.2-176.3-153.100108.6D5 A9 Q50 R59D5-E7 VanDerWaalsContact C-N 3.29Å; D5-E7 PolarHBondContact O-N 2.88Å; E7-A9 PolarHBondContact O-N 3.02Å; E7-A9 VanDerWaalsContact O-N 3.15Å; E7-Q50 PolarHBondContact OE1-NE2 2.97Å; E7-R59 HydrophobicContact CG-CB 3.99Å; E7-R59 WeakPolarHBondContact OE1-CB 3.49Å; E7-R59 WeakPolarHBondContact OE1-CD 3.43Å; E7-R59 IonicContact OE2-CZ 3.92Å; E7-R59 IonicContact OE2-NH1 3.3Å; E7-R59 PolarHBondContact OE2-NH1 2.81Å
8V89.6Confident77.2Confident35 Ų3566.3 Ų66.321%0.21234%0.335CS..EExtended strand (participates in β ladder)trans-73.5109.7177.1179.50000108.3M6 I10 D57 V58 R59 L170 L173M6-V8 PolarHBondContact O-N 3.08Å; V8-I10 HydrophobicContact CG1-CG1 4.14Å; V8-D57 PolarHBondContact N-O 3.14Å; V8-V58 CarbonylContact O-C 3.52Å; V8-V58 WeakPolarHBondContact O-CA 3.18Å; V8-V58 WeakPolarHBondContact O-CG1 3.46Å; V8-R59 PolarHBondContact O-N 2.89Å; V8-L170 HydrophobicContact CB-CD2 4.25Å; V8-L170 HydrophobicContact CG1-CD2 3.79Å; V8-L170 HydrophobicContact CG2-CD2 4.26Å; V8-L173 HydrophobicContact CG1-CD1 4.17Å
9A93.8Very high78Confident8 Ų865.2 Ų65.27%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-91.3126.3174.200000111.6E7 R59 M61 Q83 I191E7-A9 PolarHBondContact O-N 3.02Å; E7-A9 VanDerWaalsContact O-N 3.15Å; A9-R59 CarbonylContact C-O 3.56Å; A9-R59 WeakPolarHBondContact CA-O 3.37Å; A9-R59 HydrophobicContact CB-CB 4.41Å; A9-M61 HydrophobicContact CB-SD 4.45Å; A9-Q83 PolarHBondContact O-NE2 3.14Å; A9-I191 HydrophobicContact CB-CD1 4.26Å
10I95.8Very high78.8Confident0 Ų062 Ų620%032%0.32CS..EExtended strand (participates in β ladder)trans-118.2110.1179.1-46.5178.3000109.7V8 M12 V58 R59 L60 M61 Q83 A166 Y169V8-I10 HydrophobicContact CG1-CG1 4.14Å; I10-M12 HydrophobicContact CB-CE 4.33Å; I10-M12 HydrophobicContact CD1-CE 4.49Å; I10-M12 HydrophobicContact CG2-CE 3.83Å; I10-M12 HydrophobicContact CG2-CG 4.06Å; I10-M12 PolarHBondContact O-N 3.06Å; I10-V58 HydrophobicContact CD1-CG1 3.4Å; I10-V58 VanDerWaalsContact CD1-CG1 3.4Å; I10-V58 HydrophobicContact CG1-CG1 3.7Å; I10-R59 PolarHBondContact N-O 2.9Å; I10-L60 HydrophobicContact CB-CD2 3.96Å; I10-L60 HydrophobicContact CD1-CD2 3.99Å; I10-L60 HydrophobicContact CG1-CD2 4.28Å; I10-M61 PolarHBondContact O-N 3.21Å; I10-Q83 HydrophobicContact CG2-CB 3.89Å; I10-A166 HydrophobicContact CD1-CB 4.13Å; I10-Y169 HydrophobicContact CB-CD1 4.37Å; I10-Y169 HydrophobicContact CD1-CD1 3.56Å; I10-Y169 HydrophobicContact CD1-CE1 4.4Å; I10-Y169 HydrophobicContact CD1-CG 4.28Å; I10-Y169 HydrophobicContact CG1-CD1 3.6Å; I10-Y169 HydrophobicContact CG1-CE1 3.96Å; I10-Y169 HydrophobicContact CG2-CD1 3.95Å; I10-Y169 HydrophobicContact CG2-CE1 4.38Å; I10-Y169 HydrophobicContact CG2-CG 4.21Å
11K95.8Very high79.6Confident28 Ų2859.6 Ų59.612%0.12231%0.311CS..EExtended strand (participates in β ladder)trans-73116167.2179.4169.4173.3178.90110.2W63 Y78 R80 A82 Q83 A84K11-W63 HydrophobicContact CD-CZ2 4.44Å; K11-Y78 WeakPolarHBondContact CE-O 3.44Å; K11-Y78 PolarHBondContact NZ-O 3.17Å; K11-R80 PolarHBondContact NZ-O 3.25Å; K11-A82 HydrophobicContact CG-CB 4.49Å; K11-Q83 VanDerWaalsContact CB-OE1 3.32Å; K11-Q83 PolarHBondContact O-N 3.21Å; K11-A84 PolarHBondContact O-N 2.93Å
12M96.4Very high82.4Confident0 Ų048.5 Ų48.50%026%0.256CS..EExtended strand (participates in β ladder)trans-114.9136.4175.4-56.2-172.816800110.5I10 L60 M61 L62 W63 A84 F162 L165 A166I10-M12 HydrophobicContact CB-CE 4.33Å; I10-M12 HydrophobicContact CD1-CE 4.49Å; I10-M12 HydrophobicContact CG2-CE 3.83Å; I10-M12 HydrophobicContact CG2-CG 4.06Å; I10-M12 PolarHBondContact O-N 3.06Å; M12-L60 HydrophobicContact CE-CD1 4.16Å; M12-L60 HydrophobicContact CE-CD2 3.5Å; M12-L60 VanDerWaalsContact CE-CD2 3.5Å; M12-L60 HydrophobicContact CE-CG 4.41Å; M12-L60 HydrophobicContact SD-CD1 4.2Å; M12-L60 HydrophobicContact SD-CD2 4.22Å; M12-M61 PolarHBondContact N-O 3.25Å; M12-L62 HydrophobicContact CB-CD2 3.72Å; M12-L62 HydrophobicContact CG-CD2 4.09Å; M12-L62 HydrophobicContact SD-CD2 3.84Å; M12-W63 PolarHBondContact O-N 3.46Å; M12-A84 WeakPolarHBondContact CA-O 3.49Å; M12-A84 HydrophobicContact CE-CB 4.19Å; M12-A84 HydrophobicContact CG-CB 3.97Å; M12-F162 HydrophobicContact SD-CD1 3.98Å; M12-L165 HydrophobicContact CE-CB 3.71Å; M12-L165 HydrophobicContact SD-CB 4.29Å; M12-L165 HydrophobicContact SD-CD1 4.36Å; M12-A166 HydrophobicContact CE-CB 4.25Å
13V95.1Very high85Confident0 Ų041.9 Ų41.90%022%0.224CC..EExtended strand (participates in β ladder)trans-108.2136.7173-66.60000110.2V15 W63 Y79 A82 A84 C85 V86V13-V15 HydrophobicContact CB-CG1 4.35Å; V13-V15 HydrophobicContact CG2-CG1 4.36Å; V13-W63 HydrophobicContact CG1-CB 4.09Å; V13-Y79 HydrophobicContact CG1-CD1 4.31Å; V13-A82 HydrophobicContact CG1-CB 3.79Å; V13-A82 HydrophobicContact CG2-CB 3.95Å; V13-A84 PolarHBondContact N-O 3.48Å; V13-C85 HydrophobicContact CG2-CB 4.03Å; V13-C85 WeakPolarHBondContact O-CA 3.44Å; V13-V86 PolarHBondContact O-N 3.43Å
14V94.9Very high87.4Confident0 Ų035.4 Ų35.40%020%0.198CC..EExtended strand (participates in β ladder)trans-109.6117.9172.8-172.40000107.7K22 I26 W63 T65 V86 V88 F162V14-K22 HydrophobicContact CB-CB 4.47Å; V14-K22 HydrophobicContact CG1-CB 3.74Å; V14-K22 HydrophobicContact CG1-CD 4.19Å; V14-K22 HydrophobicContact CG1-CG 3.85Å; V14-I26 HydrophobicContact CB-CD1 4.07Å; V14-I26 HydrophobicContact CB-CG1 4.49Å; V14-I26 HydrophobicContact CG2-CD1 3.79Å; V14-I26 HydrophobicContact CG2-CG1 3.87Å; V14-W63 PolarHBondContact N-O 3.5Å; V14-T65 PolarHBondContact O-OG1 3.09Å; V14-V86 HydrophobicContact CB-CB 4.45Å; V14-V86 HydrophobicContact CG1-CB 4.15Å; V14-V86 HydrophobicContact CG1-CG1 4.4Å; V14-V86 HydrophobicContact CG2-CB 4.16Å; V14-V86 HydrophobicContact CG2-CG2 4.22Å; V14-V88 HydrophobicContact CG1-CG2 3.66Å; V14-F162 HydrophobicContact CG2-CE1 4.31Å
15V93.9Very high89.5Confident0 Ų027 Ų270%016%0.158CC..EExtended strand (participates in β ladder)trans-129.3159.1-172.6-55.60000111.5V13 K22 Y79 V86 L87 V88 W103 V107V13-V15 HydrophobicContact CB-CG1 4.35Å; V13-V15 HydrophobicContact CG2-CG1 4.36Å; V15-K22 VanDerWaalsContact C-CD 3.46Å; V15-Y79 HydrophobicContact CG1-CD1 4.45Å; V15-Y79 HydrophobicContact CG1-CE1 3.61Å; V15-V86 PolarHBondContact N-O 3.07Å; V15-L87 HydrophobicContact CG2-CD2 3.39Å; V15-L87 HydrophobicContact CG2-CG 4.4Å; V15-V88 PolarHBondContact O-N 2.91Å; V15-W103 HydrophobicContact CB-CD2 4.43Å; V15-W103 HydrophobicContact CB-CE3 3.91Å; V15-W103 HydrophobicContact CB-CZ3 4.21Å; V15-W103 HydrophobicContact CG2-CB 4.37Å; V15-W103 HydrophobicContact CG2-CE3 4.38Å; V15-V107 HydrophobicContact CG1-CG2 4.3Å; V15-V107 HydrophobicContact CG2-CG2 4.09Å
16G93.7Very high91.4Very high2 Ų220.4 Ų20.42%0.02112%0.123CC..  trans140.1164.6-170.900000111.4K22 G67 V88 W103G16-K22 VanDerWaalsContact O-CE 3.27Å; G16-K22 WeakPolarHBondContact O-CE 3.24Å; G16-K22 PolarHBondContact O-NZ 2.93Å; G16-G67 VanDerWaalsContact O-CA 3.3Å; G16-G67 WeakPolarHBondContact O-CA 3.44Å; G16-V88 WeakPolarHBondContact CA-O 3.3Å; G16-W103 VanDerWaalsContact CA-CE2 3.43Å; G16-W103 WeakPolarHBondContact O-CZ2 3.4Å
17N92.6Very high93.3Very high21 Ų2117.7 Ų17.711%0.11211%0.109CC..SBendtrans-56.9168.7-176-74.425.5000113.6V20 K22 G67 A99 W103N17-V20 HydrophobicContact CB-CG1 4.04Å; N17-V20 WeakPolarHBondContact O-CG1 3.06Å; N17-V20 VanDerWaalsContact O-CG2 3.23Å; N17-V20 WeakPolarHBondContact O-CG2 2.87Å; N17-K22 PolarHBondContact O-NZ 3.18Å; N17-G67 CarbonylContact C-O 3.3Å; N17-G67 VanDerWaalsContact C-O 3.3Å; N17-A99 VanDerWaalsContact OD1-CB 3.28Å; N17-A99 WeakPolarHBondContact OD1-CB 3.33Å; N17-W103 PolarHBondContact OD1-NE1 3.44Å
18G90.7Very high94.4Very high14 Ų1416.1 Ų16.114%0.14410%0.1CC..THydrogen-bonded Turntrans-56.7149.8173.700000111.4V20 G67G18-V20 PolarHBondContact O-N 3.43Å; G18-G67 WeakPolarHBondContact CA-O 3.38Å; G18-G67 PolarHBondContact N-O 3.45Å
19A91.9Very high94.8Very high46 Ų4614.9 Ų14.938%0.389%0.091SC..THydrogen-bonded Turntrans60.44.4173.900000117.5G21 Y38 K122A19-G21 PolarHBondContact O-N 3.27Å; A19-Y38 HydrophobicContact CB-CD2 4.16Å; A19-Y38 HydrophobicContact CB-CE2 3.69Å; A19-K122 VanDerWaalsContact O-CE 3.27Å; A19-K122 WeakPolarHBondContact O-CE 3.2Å; A19-K122 PolarHBondContact O-NZ 3.45Å
20V95Very high94.9Very high0 Ų015.8 Ų15.80%010%0.097CC..SBendtrans-69.8-14.6175.5-55.40000113.8N17 G18 K22 V88 S96 N121N17-V20 HydrophobicContact CB-CG1 4.04Å; N17-V20 WeakPolarHBondContact O-CG1 3.06Å; N17-V20 VanDerWaalsContact O-CG2 3.23Å; N17-V20 WeakPolarHBondContact O-CG2 2.87Å; G18-V20 PolarHBondContact O-N 3.43Å; V20-K22 HydrophobicContact CG2-CD 4.24Å; V20-K22 HydrophobicContact CG2-CG 3.64Å; V20-V88 HydrophobicContact CB-CG1 4.25Å; V20-V88 HydrophobicContact CG2-CB 3.98Å; V20-V88 HydrophobicContact CG2-CG1 3.79Å; V20-S96 VanDerWaalsContact CG1-CB 3.49Å; V20-N121 PolarHBondContact O-ND2 3.4Å
21G94.9Very high94.9Very high12 Ų1220.9 Ų20.912%0.12412%0.119CC..SBendtrans105.622.7174.600000116.2A19 S24 M25A19-G21 PolarHBondContact O-N 3.27Å; G21-S24 PolarHBondContact O-N 3.35Å; G21-M25 WeakPolarHBondContact O-CB 3.39Å; G21-M25 PolarHBondContact O-N 3.46Å
22K94.6Very high94.7Very high10 Ų1021.9 Ų21.94%0.04314%0.138CC..Hα-helixtrans-59.1-56.9178.9-55.2-173.9-59-68.40113V14 V15 G16 N17 V20 S24 M25 I26 T65 V88V14-K22 HydrophobicContact CB-CB 4.47Å; V14-K22 HydrophobicContact CG1-CB 3.74Å; V14-K22 HydrophobicContact CG1-CD 4.19Å; V14-K22 HydrophobicContact CG1-CG 3.85Å; V15-K22 VanDerWaalsContact C-CD 3.46Å; G16-K22 VanDerWaalsContact O-CE 3.27Å; G16-K22 WeakPolarHBondContact O-CE 3.24Å; G16-K22 PolarHBondContact O-NZ 2.93Å; N17-K22 PolarHBondContact O-NZ 3.18Å; V20-K22 HydrophobicContact CG2-CD 4.24Å; V20-K22 HydrophobicContact CG2-CG 3.64Å; K22-S24 VanDerWaalsContact C-N 3.28Å; K22-S24 PolarHBondContact O-N 3.4Å; K22-M25 VanDerWaalsContact O-CB 3.31Å; K22-M25 WeakPolarHBondContact O-CB 3.49Å; K22-M25 PolarHBondContact O-N 2.93Å; K22-I26 PolarHBondContact O-N 3.37Å; K22-T65 WeakPolarHBondContact CE-O 3.5Å; K22-V88 HydrophobicContact CG-CB 4.29Å; K22-V88 HydrophobicContact CG-CG2 4.35Å
23S93.9Very high94.5Very high29 Ų2926.4 Ų26.420%0.20316%0.161CC..Hα-helixtrans-57.2-42.6176.7-49.60000112.1M25 I26 Q27 T41 D64S23-M25 VanDerWaalsContact C-N 3.32Å; S23-M25 PolarHBondContact O-N 2.93Å; S23-I26 PolarHBondContact O-N 2.87Å; S23-Q27 WeakPolarHBondContact O-CB 3.47Å; S23-Q27 WeakPolarHBondContact O-CG 3.4Å; S23-Q27 PolarHBondContact O-N 3.42Å; S23-T41 PolarHBondContact OG-OG1 3.21Å; S23-D64 WeakPolarHBondContact CA-OD1 3.37Å; S23-D64 WeakPolarHBondContact CA-OD2 3.32Å; S23-D64 WeakPolarHBondContact CB-OD2 3.13Å; S23-D64 PolarHBondContact N-OD1 3.02Å; S23-D64 PolarHBondContact OG-OD1 2.79Å; S23-D64 PolarHBondContact OG-OD2 3.33Å
24S95.7Very high94.4Very high35 Ų3529.7 Ų29.725%0.24518%0.175CC..Hα-helixtrans-62.8-38.5175.7-51.80000112G21 K22 R28 V152G21-S24 PolarHBondContact O-N 3.35Å; K22-S24 VanDerWaalsContact C-N 3.28Å; K22-S24 PolarHBondContact O-N 3.4Å; S24-R28 WeakPolarHBondContact O-CB 3.39Å; S24-R28 PolarHBondContact O-N 3.01Å; S24-V152 VanDerWaalsContact C-CG1 3.4Å; S24-V152 VanDerWaalsContact O-CG1 3.29Å; S24-V152 WeakPolarHBondContact O-CG1 3.44Å
25M97.1Very high94.1Very high0 Ų033.5 Ų33.50%020%0.198CC..Hα-helixtrans-64.5-45.7177.8-173.4177.6-78.500111.1G21 K22 S23 R28 Y29 V86 V88 V119 T150 V152 V158 F162G21-M25 WeakPolarHBondContact O-CB 3.39Å; G21-M25 PolarHBondContact O-N 3.46Å; K22-M25 VanDerWaalsContact O-CB 3.31Å; K22-M25 WeakPolarHBondContact O-CB 3.49Å; K22-M25 PolarHBondContact O-N 2.93Å; S23-M25 VanDerWaalsContact C-N 3.32Å; S23-M25 PolarHBondContact O-N 2.93Å; M25-R28 PolarHBondContact O-N 3.5Å; M25-Y29 WeakPolarHBondContact O-CB 3.38Å; M25-Y29 PolarHBondContact O-N 3.19Å; M25-V86 HydrophobicContact SD-CG1 4.22Å; M25-V88 HydrophobicContact CE-CG2 4.42Å; M25-V88 HydrophobicContact SD-CG2 4.39Å; M25-V119 HydrophobicContact CE-CG1 3.71Å; M25-T150 HydrophobicContact CE-CG2 4.48Å; M25-V152 HydrophobicContact CB-CG2 3.71Å; M25-V152 HydrophobicContact CE-CG2 3.88Å; M25-V152 HydrophobicContact CG-CG2 4Å; M25-V158 HydrophobicContact CG-CG1 4.16Å; M25-F162 HydrophobicContact CG-CE2 3.89Å; M25-F162 HydrophobicContact CG-CZ 3.95Å; M25-F162 HydrophobicContact SD-CE2 4.36Å; M25-F162 HydrophobicContact SD-CZ 4.18Å
26I95.8Very high93.5Very high2 Ų241.5 Ų41.51%0.0123%0.233CC..Hα-helixtrans-65.3-46.6178.1-62.4171000110.2V14 K22 S23 R28 Y29 C30 L47 L62 D64V14-I26 HydrophobicContact CB-CD1 4.07Å; V14-I26 HydrophobicContact CB-CG1 4.49Å; V14-I26 HydrophobicContact CG2-CD1 3.79Å; V14-I26 HydrophobicContact CG2-CG1 3.87Å; K22-I26 PolarHBondContact O-N 3.37Å; S23-I26 PolarHBondContact O-N 2.87Å; I26-R28 PolarHBondContact O-N 3.39Å; I26-Y29 PolarHBondContact O-N 3.21Å; I26-C30 WeakPolarHBondContact O-CB 3.39Å; I26-C30 PolarHBondContact O-N 2.84Å; I26-L47 HydrophobicContact CG2-CB 3.87Å; I26-L47 HydrophobicContact CG2-CD1 3.79Å; I26-L47 HydrophobicContact CG2-CG 4.24Å; I26-L62 HydrophobicContact CD1-CB 4.44Å; I26-L62 HydrophobicContact CG1-CB 4.32Å; I26-L62 HydrophobicContact CG1-CD1 4.46Å; I26-L62 HydrophobicContact CG2-CB 3.8Å; I26-L62 HydrophobicContact CG2-CD1 3.99Å; I26-D64 VanDerWaalsContact CD1-CA 3.45Å; I26-D64 HydrophobicContact CD1-CB 3.49Å; I26-D64 VanDerWaalsContact CD1-CB 3.49Å
27Q95.3Very high93.1Very high59 Ų5947 Ų4728%0.27626%0.262SS..Hα-helixtrans-61.9-42.5176.8-71.8-95.3-17.200112S23 K31 G32 I33 L47S23-Q27 WeakPolarHBondContact O-CB 3.47Å; S23-Q27 WeakPolarHBondContact O-CG 3.4Å; S23-Q27 PolarHBondContact O-N 3.42Å; Q27-K31 WeakPolarHBondContact O-CA 3.36Å; Q27-K31 WeakPolarHBondContact O-CB 3.3Å; Q27-K31 PolarHBondContact O-N 3.44Å; Q27-G32 PolarHBondContact O-N 3.06Å; Q27-I33 CarbonylContact C-O 3.56Å; Q27-L47 HydrophobicContact CG-CD1 4.33Å
28R96.9Very high92.4Very high38 Ų3852.4 Ų52.414%0.14328%0.282CS..Hα-helixtrans-61-49176.2176.161.871147.617.4110.5S24 M25 I26 G32 I33 V152 K153 D155 V158S24-R28 WeakPolarHBondContact O-CB 3.39Å; S24-R28 PolarHBondContact O-N 3.01Å; M25-R28 PolarHBondContact O-N 3.5Å; I26-R28 PolarHBondContact O-N 3.39Å; R28-G32 WeakPolarHBondContact O-CA 3.38Å; R28-G32 PolarHBondContact O-N 3.27Å; R28-I33 WeakPolarHBondContact CA-O 3.32Å; R28-I33 PolarHBondContact N-O 2.81Å; R28-V152 HydrophobicContact CB-CG1 3.88Å; R28-V152 HydrophobicContact CG-CG1 4.43Å; R28-V152 VanDerWaalsContact CZ-O 3.28Å; R28-V152 PolarHBondContact NE-O 3.06Å; R28-V152 PolarHBondContact NH2-O 3.35Å; R28-K153 PolarHBondContact NH2-O 3.34Å; R28-D155 WeakPolarHBondContact CD-OD1 3.39Å; R28-D155 HydrophobicContact CG-CB 4.49Å; R28-D155 WeakPolarHBondContact CG-OD1 3.23Å; R28-V158 HydrophobicContact CG-CG1 4.22Å; R28-V158 HydrophobicContact CG-CG2 4.36Å
29Y97.6Very high91.8Very high8 Ų860 Ų603%0.03131%0.311CS..Hα-helixtrans-67-44.3-178-177.1-105.2000112.8M25 I26 R49 I51 L60 L62 V158 N159 F162M25-Y29 WeakPolarHBondContact O-CB 3.38Å; M25-Y29 PolarHBondContact O-N 3.19Å; I26-Y29 PolarHBondContact O-N 3.21Å; Y29-R49 HydrophobicContact CE1-CB 4.14Å; Y29-R49 VanDerWaalsContact CE1-CD 3.47Å; Y29-R49 HydrophobicContact CE1-CG 4.33Å; Y29-R49 WeakPolarHBondContact O-CD 3.45Å; Y29-R49 PolarHBondContact O-NH1 3.34Å; Y29-I51 WeakPolarHBondContact OH-CG2 3.31Å; Y29-L60 HydrophobicContact CE1-CD1 3.96Å; Y29-L60 WeakPolarHBondContact OH-CD1 3.37Å; Y29-L62 HydrophobicContact CD1-CD1 3.62Å; Y29-L62 HydrophobicContact CE1-CD1 4.18Å; Y29-V158 HydrophobicContact CD2-CG1 4.38Å; Y29-N159 WeakPolarHBondContact CD2-OD1 3.24Å; Y29-N159 HydrophobicContact CE2-CB 4.27Å; Y29-N159 VanDerWaalsContact CE2-OD1 3.32Å; Y29-N159 WeakPolarHBondContact CE2-OD1 3.02Å; Y29-F162 HydrophobicContact CD1-CB 4.46Å; Y29-F162 AromaticContact CD1-CD2 3.77Å; Y29-F162 HydrophobicContact CD1-CD2 3.77Å; Y29-F162 HydrophobicContact CD1-CE2 4.13Å; Y29-F162 HydrophobicContact CD1-CG 4.03Å; Y29-F162 HydrophobicContact CD2-CB 4.31Å; Y29-F162 AromaticContact CD2-CD2 3.38Å; Y29-F162 HydrophobicContact CD2-CD2 3.38Å; Y29-F162 HydrophobicContact CD2-CE2 4.03Å; Y29-F162 HydrophobicContact CD2-CG 4.14Å; Y29-F162 HydrophobicContact CE1-CB 3.89Å; Y29-F162 HydrophobicContact CE1-CD2 4.06Å; Y29-F162 AromaticContact CE1-CG 3.93Å; Y29-F162 HydrophobicContact CE1-CG 3.93Å; Y29-F162 HydrophobicContact CE2-CB 3.74Å; Y29-F162 AromaticContact CE2-CD2 3.73Å; Y29-F162 HydrophobicContact CE2-CD2 3.73Å; Y29-F162 HydrophobicContact CE2-CG 4.07Å; Y29-F162 AromaticContact CG-CD2 3.38Å; Y29-F162 HydrophobicContact CG-CD2 3.38Å; Y29-F162 AromaticContact CG-CE2 3.66Å; Y29-F162 HydrophobicContact CG-CE2 3.66Å; Y29-F162 HydrophobicContact CG-CG 4.1Å; Y29-F162 VanDerWaalsContact CZ-CB 3.48Å; Y29-F162 AromaticContact CZ-CG 3.94Å
30C95.9Very high91.2Very high28 Ų2862.7 Ų62.719%0.18931%0.314CS..Hα-helixtrans-80.5-34.2-176.5-72.10000113.5I26 L47I26-C30 WeakPolarHBondContact O-CB 3.39Å; I26-C30 PolarHBondContact O-N 2.84Å; C30-L47 HydrophobicContact CB-CB 4.13Å; C30-L47 HydrophobicContact CB-CD1 4.21Å
31K94.3Very high90.3Very high106 Ų10664.3 Ų64.346%0.46132%0.324SS..Hα-helixtrans-121.6-8.7-168.6-56.7-179.3-178.9171.70113.9Q27 I33Q27-K31 WeakPolarHBondContact O-CA 3.36Å; Q27-K31 WeakPolarHBondContact O-CB 3.3Å; Q27-K31 PolarHBondContact O-N 3.44Å; K31-I33 HydrophobicContact CB-CB 4.38Å; K31-I33 HydrophobicContact CB-CD1 3.92Å; K31-I33 HydrophobicContact CB-CG1 4.08Å; K31-I33 PolarHBondContact O-N 3.27Å
32G93.5Very high89.3Confident49 Ų4971.3 Ų71.351%0.50536%0.357SS..SBendtrans70.610.3-173.100000113.9Q27 R28Q27-G32 PolarHBondContact O-N 3.06Å; R28-G32 WeakPolarHBondContact O-CA 3.38Å; R28-G32 PolarHBondContact O-N 3.27Å
33I91.7Very high88.1Confident95 Ų9572.7 Ų72.749%0.48737%0.374SS..  trans-102.7141.6-171.7-61.5168000110.6Q27 R28 K31Q27-I33 CarbonylContact C-O 3.56Å; R28-I33 WeakPolarHBondContact CA-O 3.32Å; R28-I33 PolarHBondContact N-O 2.81Å; K31-I33 HydrophobicContact CB-CB 4.38Å; K31-I33 HydrophobicContact CB-CD1 3.92Å; K31-I33 HydrophobicContact CB-CG1 4.08Å; K31-I33 PolarHBondContact O-N 3.27Å
34F92.8Very high87.2Confident70 Ų7073.3 Ų73.331%0.30738%0.377SS..  trans-134.2138.1167.2172-97.7000110.5K36 V152 K153F34-K36 HydrophobicContact CE1-CG 3.7Å; F34-K36 HydrophobicContact CZ-CG 4.31Å; F34-V152 HydrophobicContact CD2-CG1 3.99Å; F34-V152 HydrophobicContact CE2-CG1 4.4Å; F34-K153 HydrophobicContact CD1-CB 4.5Å; F34-K153 HydrophobicContact CD1-CG 4.26Å; F34-K153 HydrophobicContact CE1-CB 3.98Å; F34-K153 HydrophobicContact CE1-CG 3.68Å; F34-K153 HydrophobicContact CE2-CB 4.13Å; F34-K153 HydrophobicContact CZ-CB 3.78Å; F34-K153 HydrophobicContact CZ-CG 3.94Å
35T87.5Confident86.5Confident79 Ų7975.4 Ų75.449%0.48539%0.385SS..  trans-121.8140.9169.6-177.90000109.6D37T35-D37 VanDerWaalsContact C-N 3.32Å; T35-D37 PolarHBondContact OG1-N 3.37Å
36K82.6Confident85.9Confident169 Ų16980.7 Ų80.774%0.73541%0.408SS*.  trans-76.7-23.6173.5-70.1-176.3179.8-179.30112.1F34 Y38F34-K36 HydrophobicContact CE1-CG 3.7Å; F34-K36 HydrophobicContact CZ-CG 4.31Å; K36-Y38 PolarHBondContact O-N 2.98Å; K36-Y38 VanDerWaalsContact O-N 3.12Å
37D84.4Confident85.8Confident117 Ų11781.9 Ų81.963%0.62641%0.414SS*.SBendtrans-68.8112.7-175.7-63.5-28.4000109.9T35 K39T35-D37 VanDerWaalsContact C-N 3.32Å; T35-D37 PolarHBondContact OG1-N 3.37Å; D37-K39 PolarHBondContact O-N 3.23Å
38Y77.7Confident85.8Confident135 Ų13584.2 Ų84.253%0.52943%0.425SS..  trans-70.8117.7174.3178.5-109.8000109.8A19 K36 K40A19-Y38 HydrophobicContact CB-CD2 4.16Å; A19-Y38 HydrophobicContact CB-CE2 3.69Å; K36-Y38 PolarHBondContact O-N 2.98Å; K36-Y38 VanDerWaalsContact O-N 3.12Å; Y38-K40 HydrophobicContact CE1-CB 4.25Å
39K78.9Confident85.7Confident173 Ų17386.5 Ų86.575%0.75243%0.434SS*.  trans-116.4120.3167-65.1-176.5-179.5179.70107.6D37 T41D37-K39 PolarHBondContact O-N 3.23Å; K39-T41 PolarHBondContact O-N 2.95Å
40K79.8Confident85.6Confident102 Ų10292.9 Ų92.944%0.44346%0.464SS..PPolyproline II helixtrans-58.8123.8173.6177.2174165.8172.90108.3Y38 I42 E70Y38-K40 HydrophobicContact CE1-CB 4.25Å; K40-I42 PolarHBondContact O-N 2.97Å; K40-E70 IonicContact NZ-OE1 3.06Å
41T75.9Confident85.5Confident34 Ų3492.9 Ų92.921%0.20946%0.462CS..PPolyproline II helixtrans-66.5118.4174.2-44.50000108.4S23 K39 A66S23-T41 PolarHBondContact OG-OG1 3.21Å; K39-T41 PolarHBondContact O-N 2.95Å; T41-A66 WeakPolarHBondContact O-CB 3.43Å
42I74.1Confident85.5Confident160 Ų16093.9 Ų93.982%0.82147%0.468SS*.PPolyproline II helixtrans-101.2117.8175-60.8174.5000106.9K40K40-I42 PolarHBondContact O-N 2.97Å
43G69.6Low85.4Confident38 Ų3891.6 Ų91.639%0.39244%0.444SS..SBendtrans77.1-146.5-175.700000112.6A66G43-A66 WeakPolarHBondContact O-CB 3.34Å; G43-A66 PolarHBondContact O-N 3.4Å
44V74.8Confident85.2Confident43 Ų4391.2 Ų91.226%0.26144%0.443SS..EExtended strand (participates in β ladder)trans-131.9132.8-177.7172.50000109.4W63 D64 T65 Y78V44-W63 HydrophobicContact CG1-CE3 3.72Å; V44-W63 HydrophobicContact CG1-CZ3 4.22Å; V44-D64 WeakPolarHBondContact CA-O 3.38Å; V44-D64 WeakPolarHBondContact CG1-O 3.42Å; V44-T65 HydrophobicContact CG2-CG2 4.39Å; V44-Y78 HydrophobicContact CB-CD1 3.92Å; V44-Y78 HydrophobicContact CB-CE1 3.53Å; V44-Y78 HydrophobicContact CB-CE2 4.17Å; V44-Y78 HydrophobicContact CB-CG 4.41Å; V44-Y78 HydrophobicContact CG1-CD1 3.75Å; V44-Y78 HydrophobicContact CG1-CE1 3.85Å; V44-Y78 HydrophobicContact CG1-CG 4.27Å; V44-Y78 HydrophobicContact CG2-CD1 3.74Å; V44-Y78 HydrophobicContact CG2-CD2 3.48Å; V44-Y78 VanDerWaalsContact CG2-CD2 3.48Å; V44-Y78 HydrophobicContact CG2-CE1 3.48Å; V44-Y78 VanDerWaalsContact CG2-CE1 3.48Å; V44-Y78 HydrophobicContact CG2-CE2 3.18Å; V44-Y78 HydrophobicContact CG2-CG 3.74Å
45D80.1Confident85Confident78 Ų7894.8 Ų94.842%0.41747%0.466SS..EExtended strand (participates in β ladder)trans-112.4157.6173.7-162.36.5000108.7D64D45-D64 HydrophobicContact CB-CB 4.28Å; D45-D64 PolarHBondContact N-O 2.8Å; D45-D64 WeakPolarHBondContact O-CB 3.16Å; D45-D64 PolarHBondContact O-N 2.74Å
46F84.4Confident85Confident112 Ų11293.8 Ų93.849%0.49146%0.456SS..EExtended strand (participates in β ladder)trans-133.6140.3173.378.4-86.2000110.4L62F46-L62 WeakPolarHBondContact CA-O 3.47Å
47L93.3Very high85.5Confident27 Ų2790.6 Ų90.614%0.14145%0.446CS..EExtended strand (participates in β ladder)trans-127.2148.7172.4-70173.7000108.6I26 Q27 C30 L62I26-L47 HydrophobicContact CG2-CB 3.87Å; I26-L47 HydrophobicContact CG2-CD1 3.79Å; I26-L47 HydrophobicContact CG2-CG 4.24Å; Q27-L47 HydrophobicContact CG-CD1 4.33Å; C30-L47 HydrophobicContact CB-CB 4.13Å; C30-L47 HydrophobicContact CB-CD1 4.21Å; L47-L62 PolarHBondContact N-O 3.44Å; L47-L62 WeakPolarHBondContact O-CA 3.39Å; L47-L62 WeakPolarHBondContact O-CB 3.47Å; L47-L62 PolarHBondContact O-N 3.46Å
48E95.3Very high86Confident108 Ų10885 Ų8551%0.50542%0.417SS..EExtended strand (participates in β ladder)trans-120.5153.3175.264.5-176.3-16700111.8R59 L60E48-R59 IonicContact OE2-NE 2.94Å; E48-L60 CarbonylContact C-O 3.56Å; E48-L60 WeakPolarHBondContact CA-O 3.37Å; E48-L60 WeakPolarHBondContact CB-O 3.16Å
49R94.9Very high86.8Confident85 Ų8581.5 Ų81.532%0.32140%0.402SS..EExtended strand (participates in β ladder)trans-146.8125173.9-171.8179.4-178.3-169.6-7.9109Y29 I51 L60 N159Y29-R49 HydrophobicContact CE1-CB 4.14Å; Y29-R49 VanDerWaalsContact CE1-CD 3.47Å; Y29-R49 HydrophobicContact CE1-CG 4.33Å; Y29-R49 WeakPolarHBondContact O-CD 3.45Å; Y29-R49 PolarHBondContact O-NH1 3.34Å; R49-I51 HydrophobicContact CG-CG2 4.11Å; R49-L60 PolarHBondContact N-O 3.15Å; R49-L60 WeakPolarHBondContact O-CB 3.32Å; R49-L60 PolarHBondContact O-N 2.85Å; R49-N159 PolarHBondContact NH1-OD1 3.49Å
50Q95.5Very high87.7Confident143 Ų14373.2 Ų73.267%0.66837%0.367SS*.EExtended strand (participates in β ladder)trans-79.2135167.7-73174.6-16.600109.7E7 V58 R59E7-Q50 PolarHBondContact OE1-NE2 2.97Å; Q50-V58 WeakPolarHBondContact CA-O 3.21Å; Q50-R59 HydrophobicContact CG-CB 4.48Å; Q50-R59 HydrophobicContact CG-CG 4.25Å
51I94.9Very high88.4Confident27 Ų2770.2 Ų70.214%0.13836%0.355CS..EExtended strand (participates in β ladder)trans-139.4155.9176.361.6168.8000109.7Y29 R49 V53 V58 L60 A166Y29-I51 WeakPolarHBondContact OH-CG2 3.31Å; R49-I51 HydrophobicContact CG-CG2 4.11Å; I51-V53 HydrophobicContact CD1-CG2 3.43Å; I51-V53 VanDerWaalsContact CD1-CG2 3.43Å; I51-V53 HydrophobicContact CG1-CG2 3.86Å; I51-V58 HydrophobicContact CG1-CB 4.19Å; I51-V58 PolarHBondContact N-O 3.41Å; I51-V58 PolarHBondContact O-N 3.38Å; I51-L60 HydrophobicContact CD1-CD1 3.59Å; I51-L60 HydrophobicContact CD1-CD2 4.38Å; I51-L60 HydrophobicContact CD1-CG 3.94Å; I51-L60 HydrophobicContact CG1-CD1 4.25Å; I51-L60 HydrophobicContact CG1-CG 4.12Å; I51-A166 HydrophobicContact CD1-CB 4.12Å
52Q93.6Very high89.3Confident127 Ų12768.6 Ų68.659%0.59335%0.345SS*.EExtended strand (participates in β ladder)trans-99.8126.8170.4-160.9-179.722.700109.7E56Q52-E56 CarbonylContact C-O 3.59Å; Q52-E56 WeakPolarHBondContact CA-O 3.45Å
53V91.8Very high90.2Very high2 Ų263.7 Ų63.71%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-134.4116.7-179-179.80000109.4I51 D55 E56 V58 A166 E167 L170I51-V53 HydrophobicContact CD1-CG2 3.43Å; I51-V53 VanDerWaalsContact CD1-CG2 3.43Å; I51-V53 HydrophobicContact CG1-CG2 3.86Å; V53-D55 VanDerWaalsContact C-N 3.27Å; V53-D55 PolarHBondContact O-N 2.96Å; V53-E56 PolarHBondContact N-O 3.13Å; V53-E56 WeakPolarHBondContact O-CB 3.42Å; V53-E56 PolarHBondContact O-N 3.47Å; V53-E56 VanDerWaalsContact O-N 3.08Å; V53-V58 HydrophobicContact CB-CG2 4.26Å; V53-V58 HydrophobicContact CG2-CG2 4.47Å; V53-A166 HydrophobicContact CG2-CB 4.04Å; V53-E167 HydrophobicContact CG1-CB 4.29Å; V53-E167 HydrophobicContact CG1-CG 3.32Å; V53-L170 HydrophobicContact CB-CD1 4.09Å; V53-L170 HydrophobicContact CG1-CD1 3.96Å
54N87.9Confident90.9Very high87 Ų8762.4 Ų62.447%0.46530%0.3SS..THydrogen-bonded Turntrans51.346.6-176-54.1-45.4000112.5E56N54-E56 PolarHBondContact O-N 2.95Å; N54-E56 VanDerWaalsContact O-N 3.16Å
55D87.1Confident90.9Very high145 Ų14560.6 Ų60.678%0.77529%0.289SS*.THydrogen-bonded Turntrans63.910.7-178.4-50.6-51.9000115.4V53V53-D55 VanDerWaalsContact C-N 3.27Å; V53-D55 PolarHBondContact O-N 2.96Å
56E88.7Confident90.5Very high58 Ų5858.3 Ų58.327%0.27128%0.281SS..EExtended strand (participates in β ladder)trans-103.4134.9172.2-69.1170.6-150.900110.9Q52 V53 N54 L170 K174Q52-E56 CarbonylContact C-O 3.59Å; Q52-E56 WeakPolarHBondContact CA-O 3.45Å; V53-E56 PolarHBondContact N-O 3.13Å; V53-E56 WeakPolarHBondContact O-CB 3.42Å; V53-E56 PolarHBondContact O-N 3.47Å; V53-E56 VanDerWaalsContact O-N 3.08Å; N54-E56 PolarHBondContact O-N 2.95Å; N54-E56 VanDerWaalsContact O-N 3.16Å; E56-L170 HydrophobicContact CB-CD1 4.49Å; E56-L170 WeakPolarHBondContact OE2-CD2 3.05Å; E56-K174 WeakPolarHBondContact OE1-CE 3.2Å; E56-K174 IonicContact OE1-NZ 2.63Å; E56-K174 PolarHBondContact OE1-NZ 3.34Å
57D92.1Very high89.5Confident101 Ų10153.4 Ų53.454%0.5426%0.262SS..EExtended strand (participates in β ladder)trans-80.1121.4172.1-73.6-33.5000110.4V8V8-D57 PolarHBondContact N-O 3.14Å
58V94.7Very high88Confident1 Ų156 Ų561%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-124.6128.1-172.8-175.10000110V8 I10 Q50 I51 V53 L60 L170V8-V58 CarbonylContact O-C 3.52Å; V8-V58 WeakPolarHBondContact O-CA 3.18Å; V8-V58 WeakPolarHBondContact O-CG1 3.46Å; I10-V58 HydrophobicContact CD1-CG1 3.4Å; I10-V58 VanDerWaalsContact CD1-CG1 3.4Å; I10-V58 HydrophobicContact CG1-CG1 3.7Å; Q50-V58 WeakPolarHBondContact CA-O 3.21Å; I51-V58 HydrophobicContact CG1-CB 4.19Å; I51-V58 PolarHBondContact N-O 3.41Å; I51-V58 PolarHBondContact O-N 3.38Å; V53-V58 HydrophobicContact CB-CG2 4.26Å; V53-V58 HydrophobicContact CG2-CG2 4.47Å; V58-L60 HydrophobicContact CG1-CD2 3.73Å; V58-L170 HydrophobicContact CG2-CD1 3.87Å; V58-L170 HydrophobicContact CG2-CD2 4.38Å
59R95.9Very high86.4Confident60 Ų6053.2 Ų53.223%0.22626%0.26CS..EExtended strand (participates in β ladder)trans-93.7109.6170.9-163172.574.8-148.78.5110.7E7 V8 A9 I10 E48 Q50E7-R59 HydrophobicContact CG-CB 3.99Å; E7-R59 WeakPolarHBondContact OE1-CB 3.49Å; E7-R59 WeakPolarHBondContact OE1-CD 3.43Å; E7-R59 IonicContact OE2-CZ 3.92Å; E7-R59 IonicContact OE2-NH1 3.3Å; E7-R59 PolarHBondContact OE2-NH1 2.81Å; V8-R59 PolarHBondContact O-N 2.89Å; A9-R59 CarbonylContact C-O 3.56Å; A9-R59 WeakPolarHBondContact CA-O 3.37Å; A9-R59 HydrophobicContact CB-CB 4.41Å; I10-R59 PolarHBondContact N-O 2.9Å; E48-R59 IonicContact OE2-NE 2.94Å; Q50-R59 HydrophobicContact CG-CB 4.48Å; Q50-R59 HydrophobicContact CG-CG 4.25Å
60L96.5Very high84.6Confident0 Ų055.3 Ų55.30%027%0.274CS..EExtended strand (participates in β ladder)trans-84.9122.3172.6-57.9-167.6000110.1I10 M12 Y29 E48 R49 I51 V58 L62 F162 A166I10-L60 HydrophobicContact CB-CD2 3.96Å; I10-L60 HydrophobicContact CD1-CD2 3.99Å; I10-L60 HydrophobicContact CG1-CD2 4.28Å; M12-L60 HydrophobicContact CE-CD1 4.16Å; M12-L60 HydrophobicContact CE-CD2 3.5Å; M12-L60 VanDerWaalsContact CE-CD2 3.5Å; M12-L60 HydrophobicContact CE-CG 4.41Å; M12-L60 HydrophobicContact SD-CD1 4.2Å; M12-L60 HydrophobicContact SD-CD2 4.22Å; Y29-L60 HydrophobicContact CE1-CD1 3.96Å; Y29-L60 WeakPolarHBondContact OH-CD1 3.37Å; E48-L60 CarbonylContact C-O 3.56Å; E48-L60 WeakPolarHBondContact CA-O 3.37Å; E48-L60 WeakPolarHBondContact CB-O 3.16Å; R49-L60 PolarHBondContact N-O 3.15Å; R49-L60 WeakPolarHBondContact O-CB 3.32Å; R49-L60 PolarHBondContact O-N 2.85Å; I51-L60 HydrophobicContact CD1-CD1 3.59Å; I51-L60 HydrophobicContact CD1-CD2 4.38Å; I51-L60 HydrophobicContact CD1-CG 3.94Å; I51-L60 HydrophobicContact CG1-CD1 4.25Å; I51-L60 HydrophobicContact CG1-CG 4.12Å; V58-L60 HydrophobicContact CG1-CD2 3.73Å; L60-L62 HydrophobicContact CB-CD2 4.15Å; L60-F162 HydrophobicContact CD1-CB 4.06Å; L60-A166 HydrophobicContact CD2-CB 4.12Å
61M95.7Very high82.7Confident39 Ų3954.8 Ų54.819%0.19227%0.269CS..EExtended strand (participates in β ladder)trans-105102.7173.2-61.2176.265.400108.8A9 I10 M12A9-M61 HydrophobicContact CB-SD 4.45Å; I10-M61 PolarHBondContact O-N 3.21Å; M12-M61 PolarHBondContact N-O 3.25Å
62L94.9Very high81.1Confident0 Ų058.1 Ų58.10%029%0.287CS..EExtended strand (participates in β ladder)trans-95.7115.4-174.4-53.8-171.1000110.7M12 I26 Y29 F46 L47 L60 F162M12-L62 HydrophobicContact CB-CD2 3.72Å; M12-L62 HydrophobicContact CG-CD2 4.09Å; M12-L62 HydrophobicContact SD-CD2 3.84Å; I26-L62 HydrophobicContact CD1-CB 4.44Å; I26-L62 HydrophobicContact CG1-CB 4.32Å; I26-L62 HydrophobicContact CG1-CD1 4.46Å; I26-L62 HydrophobicContact CG2-CB 3.8Å; I26-L62 HydrophobicContact CG2-CD1 3.99Å; Y29-L62 HydrophobicContact CD1-CD1 3.62Å; Y29-L62 HydrophobicContact CE1-CD1 4.18Å; F46-L62 WeakPolarHBondContact CA-O 3.47Å; L47-L62 PolarHBondContact N-O 3.44Å; L47-L62 WeakPolarHBondContact O-CA 3.39Å; L47-L62 WeakPolarHBondContact O-CB 3.47Å; L47-L62 PolarHBondContact O-N 3.46Å; L60-L62 HydrophobicContact CB-CD2 4.15Å; L62-F162 HydrophobicContact CD1-CD1 4.13Å; L62-F162 HydrophobicContact CD1-CE1 3.74Å; L62-F162 HydrophobicContact CD1-CZ 4.02Å; L62-F162 HydrophobicContact CD2-CD1 3.77Å; L62-F162 HydrophobicContact CD2-CE1 3.74Å; L62-F162 HydrophobicContact CG-CE1 4.39Å
63W92.1Very high79.4Confident56 Ų5656 Ų5621%0.21229%0.292CS..EExtended strand (participates in β ladder)trans-92.7112.5179.3-71.169.4000110.2K11 M12 V13 V14 V44 T65 Y78K11-W63 HydrophobicContact CD-CZ2 4.44Å; M12-W63 PolarHBondContact O-N 3.46Å; V13-W63 HydrophobicContact CG1-CB 4.09Å; V14-W63 PolarHBondContact N-O 3.5Å; V44-W63 HydrophobicContact CG1-CE3 3.72Å; V44-W63 HydrophobicContact CG1-CZ3 4.22Å; W63-T65 PolarHBondContact O-N 3.28Å; W63-Y78 HydrophobicContact CE3-CD1 4.06Å; W63-Y78 AromaticContact CZ3-CD1 3.9Å; W63-Y78 HydrophobicContact CZ3-CD1 3.9Å
64D84.3Confident77.9Confident11 Ų1160.2 Ų60.26%0.05931%0.313CS..EExtended strand (participates in β ladder)trans-86100.6175.5-171.722000110.1S23 I26 V44 D45S23-D64 WeakPolarHBondContact CA-OD1 3.37Å; S23-D64 WeakPolarHBondContact CA-OD2 3.32Å; S23-D64 WeakPolarHBondContact CB-OD2 3.13Å; S23-D64 PolarHBondContact N-OD1 3.02Å; S23-D64 PolarHBondContact OG-OD1 2.79Å; S23-D64 PolarHBondContact OG-OD2 3.33Å; I26-D64 VanDerWaalsContact CD1-CA 3.45Å; I26-D64 HydrophobicContact CD1-CB 3.49Å; I26-D64 VanDerWaalsContact CD1-CB 3.49Å; V44-D64 WeakPolarHBondContact CA-O 3.38Å; V44-D64 WeakPolarHBondContact CG1-O 3.42Å; D45-D64 HydrophobicContact CB-CB 4.28Å; D45-D64 PolarHBondContact N-O 2.8Å; D45-D64 WeakPolarHBondContact O-CB 3.16Å; D45-D64 PolarHBondContact O-N 2.74Å
65T76.2Confident77Confident6 Ų657 Ų574%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-90.4138.4178.164.30000111.9V14 K22 V44 W63 G67V14-T65 PolarHBondContact O-OG1 3.09Å; K22-T65 WeakPolarHBondContact CE-O 3.5Å; V44-T65 HydrophobicContact CG2-CG2 4.39Å; W63-T65 PolarHBondContact O-N 3.28Å; T65-G67 PolarHBondContact O-N 3.35Å
66A71.4Confident76.5Confident29 Ų2955.6 Ų55.624%0.2428%0.284CS..  trans-57.4123.5166.900000109.7T41 G43 Q68T41-A66 WeakPolarHBondContact O-CB 3.43Å; G43-A66 WeakPolarHBondContact O-CB 3.34Å; G43-A66 PolarHBondContact O-N 3.4Å; A66-Q68 PolarHBondContact O-N 3.35Å; A66-Q68 VanDerWaalsContact O-N 3.07Å
67G62.4Low76.1Confident9 Ų956 Ų569%0.09330%0.297CS..SBendtrans-79.322.9179.100000114.7G16 N17 G18 T65G16-G67 VanDerWaalsContact O-CA 3.3Å; G16-G67 WeakPolarHBondContact O-CA 3.44Å; N17-G67 CarbonylContact C-O 3.3Å; N17-G67 VanDerWaalsContact C-O 3.3Å; G18-G67 WeakPolarHBondContact CA-O 3.38Å; G18-G67 PolarHBondContact N-O 3.45Å; T65-G67 PolarHBondContact O-N 3.35Å
68Q61.2Low75.7Confident83 Ų8354 Ų5439%0.38828%0.282SS..  trans-12881176.8-70.8-174.9-2.500105.3A66 E70A66-Q68 PolarHBondContact O-N 3.35Å; A66-Q68 VanDerWaalsContact O-N 3.07Å; Q68-E70 PolarHBondContact O-N 3.48Å
69E61.8Low75.4Confident48 Ų4854 Ų5422%0.22428%0.282CS..  trans-67.555.7178.154.5-107.7-119.900112.9F71 W103 K106E69-F71 PolarHBondContact O-N 2.95Å; E69-F71 VanDerWaalsContact O-N 3.09Å; E69-W103 HydrophobicContact CB-CH2 4.32Å; E69-W103 HydrophobicContact CG-CH2 4.34Å; E69-W103 VanDerWaalsContact OE1-CE2 3.25Å; E69-W103 WeakPolarHBondContact OE1-CH2 3.47Å; E69-W103 WeakPolarHBondContact OE1-CZ2 3.49Å; E69-W103 WeakPolarHBondContact OE2-CH2 3.33Å; E69-W103 WeakPolarHBondContact OE2-CZ2 3.21Å; E69-K106 VanDerWaalsContact CG-NZ 3.28Å; E69-K106 IonicContact OE1-NZ 3.41Å; E69-K106 PolarHBondContact OE1-NZ 2.86Å
70E57Low75.1Confident130 Ų13059.5 Ų59.561%0.60730%0.303SS*.SBendtrans-65.1-11.1173.8-69.8171.6-163.200111.7K40 Q68K40-E70 IonicContact NZ-OE1 3.06Å; Q68-E70 PolarHBondContact O-N 3.48Å
71F57.4Low74.9Confident132 Ų13261.9 Ų61.958%0.57933%0.328SS*.  trans-14195.4-179.4-55.5-77.2000113.7E69 A73 I74 T75E69-F71 PolarHBondContact O-N 2.95Å; E69-F71 VanDerWaalsContact O-N 3.09Å; F71-A73 VanDerWaalsContact C-N 3.29Å; F71-A73 PolarHBondContact O-N 3.25Å; F71-I74 HydrophobicContact CB-CB 4.41Å; F71-I74 HydrophobicContact CB-CD1 3.94Å; F71-I74 HydrophobicContact CB-CG1 4.09Å; F71-I74 HydrophobicContact CG-CD1 4.27Å; F71-I74 PolarHBondContact O-N 3.31Å; F71-T75 PolarHBondContact O-N 2.99Å; F71-T75 PolarHBondContact O-OG1 3.23Å
72D61.5Low74.9Confident96 Ų9660.3 Ų60.351%0.51332%0.321SS..Hα-helixtrans-58-33.3-179.2-75.8-30.1000114.2T75 K76 K106D72-T75 WeakPolarHBondContact O-CB 3.4Å; D72-T75 PolarHBondContact O-N 2.96Å; D72-K76 WeakPolarHBondContact O-CG 3.49Å; D72-K76 PolarHBondContact O-N 2.98Å; D72-K76 VanDerWaalsContact O-N 3.14Å; D72-K106 IonicContact OD1-NZ 3.25Å
73A57.6Low75Confident83 Ų8362.3 Ų62.369%0.68633%0.33SS*.Hα-helixtrans-70-41.4-177.900000113.2F71 T75F71-A73 VanDerWaalsContact C-N 3.29Å; F71-A73 PolarHBondContact O-N 3.25Å; A73-T75 VanDerWaalsContact C-N 3.26Å
74I59.8Low75.3Confident90 Ų9059.7 Ų59.746%0.46232%0.32SS..Hα-helixtrans-66.9-37.8175.9-53.4180000108.9F71 K76 A77 Y78F71-I74 HydrophobicContact CB-CB 4.41Å; F71-I74 HydrophobicContact CB-CD1 3.94Å; F71-I74 HydrophobicContact CB-CG1 4.09Å; F71-I74 HydrophobicContact CG-CD1 4.27Å; F71-I74 PolarHBondContact O-N 3.31Å; I74-K76 PolarHBondContact O-N 2.89Å; I74-A77 WeakPolarHBondContact O-CB 3.5Å; I74-A77 PolarHBondContact O-N 2.83Å; I74-Y78 HydrophobicContact CG2-CE2 3.58Å; I74-Y78 WeakPolarHBondContact O-CD2 3.33Å; I74-Y78 VanDerWaalsContact O-CE2 3.3Å; I74-Y78 WeakPolarHBondContact O-CE2 3.46Å
75T69.3Low75.9Confident21 Ų2159.1 Ų59.113%0.12932%0.317CS..Hα-helixtrans-61.2-41.2-179.4-57.10000112.9F71 D72 A73 A77 Y78 Y79F71-T75 PolarHBondContact O-N 2.99Å; F71-T75 PolarHBondContact O-OG1 3.23Å; D72-T75 WeakPolarHBondContact O-CB 3.4Å; D72-T75 PolarHBondContact O-N 2.96Å; A73-T75 VanDerWaalsContact C-N 3.26Å; T75-A77 VanDerWaalsContact C-N 3.34Å; T75-A77 PolarHBondContact O-N 2.73Å; T75-Y78 PolarHBondContact O-N 2.88Å; T75-Y79 HydrophobicContact CG2-CE1 4.1Å; T75-Y79 HydrophobicContact CG2-CE2 3.56Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.28Å
76K76.8Confident76.9Confident114 Ų11458.9 Ų58.950%0.49632%0.316SS..Hα-helixtrans-59.3-39.9176.6-73.6178.5-176.5-172.70113.7D72 I74 Y78 Y79 R80 E110D72-K76 WeakPolarHBondContact O-CG 3.49Å; D72-K76 PolarHBondContact O-N 2.98Å; D72-K76 VanDerWaalsContact O-N 3.14Å; I74-K76 PolarHBondContact O-N 2.89Å; K76-Y78 PolarHBondContact O-N 2.84Å; K76-Y79 PolarHBondContact O-N 3.05Å; K76-Y79 VanDerWaalsContact O-N 3.13Å; K76-R80 PolarHBondContact O-N 3.41Å; K76-R80 VanDerWaalsContact O-N 3.12Å; K76-E110 HydrophobicContact CB-CG 4.48Å; K76-E110 WeakPolarHBondContact CB-OE2 3.46Å; K76-E110 WeakPolarHBondContact CG-OE2 3.19Å
77A80.6Confident78.2Confident66 Ų6657.6 Ų57.655%0.54531%0.305SS..Hα-helixtrans-59.7-31.9-179.600000112.3I74 T75I74-A77 WeakPolarHBondContact O-CB 3.5Å; I74-A77 PolarHBondContact O-N 2.83Å; T75-A77 VanDerWaalsContact C-N 3.34Å; T75-A77 PolarHBondContact O-N 2.73Å
78Y83.3Confident79.9Confident59 Ų5957.2 Ų57.223%0.23130%0.301CS..Hα-helixtrans-76-33.4178.5-56.9-57.2000113.1K11 V44 W63 I74 T75 K76K11-Y78 WeakPolarHBondContact CE-O 3.44Å; K11-Y78 PolarHBondContact NZ-O 3.17Å; V44-Y78 HydrophobicContact CB-CD1 3.92Å; V44-Y78 HydrophobicContact CB-CE1 3.53Å; V44-Y78 HydrophobicContact CB-CE2 4.17Å; V44-Y78 HydrophobicContact CB-CG 4.41Å; V44-Y78 HydrophobicContact CG1-CD1 3.75Å; V44-Y78 HydrophobicContact CG1-CE1 3.85Å; V44-Y78 HydrophobicContact CG1-CG 4.27Å; V44-Y78 HydrophobicContact CG2-CD1 3.74Å; V44-Y78 HydrophobicContact CG2-CD2 3.48Å; V44-Y78 VanDerWaalsContact CG2-CD2 3.48Å; V44-Y78 HydrophobicContact CG2-CE1 3.48Å; V44-Y78 VanDerWaalsContact CG2-CE1 3.48Å; V44-Y78 HydrophobicContact CG2-CE2 3.18Å; V44-Y78 HydrophobicContact CG2-CG 3.74Å; W63-Y78 HydrophobicContact CE3-CD1 4.06Å; W63-Y78 AromaticContact CZ3-CD1 3.9Å; W63-Y78 HydrophobicContact CZ3-CD1 3.9Å; I74-Y78 HydrophobicContact CG2-CE2 3.58Å; I74-Y78 WeakPolarHBondContact O-CD2 3.33Å; I74-Y78 VanDerWaalsContact O-CE2 3.3Å; I74-Y78 WeakPolarHBondContact O-CE2 3.46Å; T75-Y78 PolarHBondContact O-N 2.88Å; K76-Y78 PolarHBondContact O-N 2.84Å
79Y87.6Confident81.6Confident3 Ų353.3 Ų53.31%0.01228%0.282CS..Hα-helixtrans-73.9-31.6177.3-54.3-25.1000112.3V13 V15 T75 K76 G81 A82 W103 K106 E110 V111V13-Y79 HydrophobicContact CG1-CD1 4.31Å; V15-Y79 HydrophobicContact CG1-CD1 4.45Å; V15-Y79 HydrophobicContact CG1-CE1 3.61Å; T75-Y79 HydrophobicContact CG2-CE1 4.1Å; T75-Y79 HydrophobicContact CG2-CE2 3.56Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.28Å; K76-Y79 PolarHBondContact O-N 3.05Å; K76-Y79 VanDerWaalsContact O-N 3.13Å; Y79-G81 PolarHBondContact O-N 3.11Å; Y79-A82 WeakPolarHBondContact O-CB 3.37Å; Y79-A82 PolarHBondContact O-N 2.97Å; Y79-W103 VanDerWaalsContact OH-CZ3 3.24Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.28Å; Y79-K106 HydrophobicContact CE2-CB 4.11Å; Y79-E110 HydrophobicContact CD2-CB 4.31Å; Y79-V111 WeakPolarHBondContact O-CG1 3.35Å
80R89.4Confident83.4Confident175 Ų17551 Ų5166%0.6627%0.272SS*.THydrogen-bonded Turntrans-50.5124.3-176.7-173170175.8791.9112.2K11 K76 A82K11-R80 PolarHBondContact NZ-O 3.25Å; K76-R80 PolarHBondContact O-N 3.41Å; K76-R80 VanDerWaalsContact O-N 3.12Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.41Å
81G92Very high85.3Confident50 Ų5044.8 Ų44.852%0.51524%0.243SC..THydrogen-bonded Turntrans76.57.3-178.500000115.1Y79 Q83Y79-G81 PolarHBondContact O-N 3.11Å; G81-Q83 PolarHBondContact O-N 3.38Å
82A95.8Very high87.2Confident6 Ų640.9 Ų40.95%0.0523%0.229CC..  trans-61.9135.3169.800000110.5K11 V13 Y79 R80 I114K11-A82 HydrophobicContact CG-CB 4.49Å; V13-A82 HydrophobicContact CG1-CB 3.79Å; V13-A82 HydrophobicContact CG2-CB 3.95Å; Y79-A82 WeakPolarHBondContact O-CB 3.37Å; Y79-A82 PolarHBondContact O-N 2.97Å; R80-A82 VanDerWaalsContact C-N 3.28Å; R80-A82 PolarHBondContact O-N 3.41Å; A82-I114 HydrophobicContact CB-CD1 4.09Å
83Q97.5Very high89Confident42 Ų4238.3 Ų38.320%0.19622%0.216CC..  trans-107.3-18-177.9-71.1145.8-61.400111.7A9 I10 K11 G81 P115 Y169A9-Q83 PolarHBondContact O-NE2 3.14Å; I10-Q83 HydrophobicContact CG2-CB 3.89Å; K11-Q83 VanDerWaalsContact CB-OE1 3.32Å; K11-Q83 PolarHBondContact O-N 3.21Å; G81-Q83 PolarHBondContact O-N 3.38Å; Q83-P115 WeakPolarHBondContact O-CD 3.45Å; Q83-Y169 HydrophobicContact CB-CD2 3.86Å; Q83-Y169 HydrophobicContact CB-CE1 4.29Å; Q83-Y169 HydrophobicContact CB-CE2 3.55Å; Q83-Y169 HydrophobicContact CB-CG 4.4Å; Q83-Y169 HydrophobicContact CG-CE1 4.37Å; Q83-Y169 HydrophobicContact CG-CE2 3.74Å; Q83-Y169 PolarHBondContact NE2-OH 3.22Å
84A97.9Very high90.9Very high0 Ų038.7 Ų38.70%020%0.2CC..EExtended strand (participates in β ladder)trans-149.2157.3173.200000111.8K11 M12 V13 P115 L165K11-A84 PolarHBondContact O-N 2.93Å; M12-A84 WeakPolarHBondContact CA-O 3.49Å; M12-A84 HydrophobicContact CE-CB 4.19Å; M12-A84 HydrophobicContact CG-CB 3.97Å; V13-A84 PolarHBondContact N-O 3.48Å; A84-P115 CarbonylContact C-O 3.54Å; A84-P115 WeakPolarHBondContact CA-O 3.38Å; A84-P115 HydrophobicContact CB-CB 4.38Å; A84-L165 HydrophobicContact CB-CB 4.1Å; A84-L165 HydrophobicContact CB-CD1 4.32Å; A84-L165 HydrophobicContact CB-CD2 4.14Å; A84-L165 HydrophobicContact CB-CG 4.43Å
85C97.5Very high92.6Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-136.7138-176.3179.10000112.6V13 V107 I114 P115 T116 V117V13-C85 HydrophobicContact CG2-CB 4.03Å; V13-C85 WeakPolarHBondContact O-CA 3.44Å; C85-V107 HydrophobicContact CB-CG1 4.26Å; C85-I114 HydrophobicContact CB-CD1 3.93Å; C85-I114 HydrophobicContact CB-CG1 4.37Å; C85-P115 PolarHBondContact N-O 3.46Å; C85-T116 HydrophobicContact CB-CG2 4.04Å; C85-T116 VanDerWaalsContact O-CA 3.29Å; C85-T116 WeakPolarHBondContact O-CA 3.36Å; C85-V117 PolarHBondContact O-N 3.42Å
86V98.1Very high94Very high0 Ų040.1 Ų40.10%020%0.203CC..EExtended strand (participates in β ladder)trans-108.4116.9166.8-1720000108.5V13 V14 V15 M25 V88 V117 V119 V161 F162 L165V13-V86 PolarHBondContact O-N 3.43Å; V14-V86 HydrophobicContact CB-CB 4.45Å; V14-V86 HydrophobicContact CG1-CB 4.15Å; V14-V86 HydrophobicContact CG1-CG1 4.4Å; V14-V86 HydrophobicContact CG2-CB 4.16Å; V14-V86 HydrophobicContact CG2-CG2 4.22Å; V15-V86 PolarHBondContact N-O 3.07Å; M25-V86 HydrophobicContact SD-CG1 4.22Å; V86-V88 HydrophobicContact CB-CG2 4.5Å; V86-V88 HydrophobicContact CG1-CG2 3.65Å; V86-V117 HydrophobicContact CB-CG1 4.25Å; V86-V117 HydrophobicContact CG1-CG1 4.04Å; V86-V117 HydrophobicContact CG2-CG1 4.05Å; V86-V119 HydrophobicContact CG1-CB 4.34Å; V86-V119 HydrophobicContact CG1-CG2 3.61Å; V86-V161 HydrophobicContact CG1-CG1 3.99Å; V86-V161 HydrophobicContact CG2-CG1 3.9Å; V86-F162 HydrophobicContact CG2-CE1 4.09Å; V86-L165 HydrophobicContact CG2-CD1 3.48Å; V86-L165 VanDerWaalsContact CG2-CD1 3.48Å
87L97.4Very high95Very high2 Ų235.6 Ų35.61%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-93.7114.9172.4-68.6167.9000108.9V15 V100 W103 R104 T116 V117 L118 V119 L145V15-L87 HydrophobicContact CG2-CD2 3.39Å; V15-L87 HydrophobicContact CG2-CG 4.4Å; L87-V100 HydrophobicContact CD1-CG1 4.5Å; L87-W103 HydrophobicContact CD2-CB 3.86Å; L87-R104 HydrophobicContact CD1-CB 3.85Å; L87-R104 HydrophobicContact CD1-CG 4.15Å; L87-R104 HydrophobicContact CD2-CB 4.34Å; L87-T116 HydrophobicContact CD1-CG2 3.51Å; L87-T116 HydrophobicContact CG-CG2 3.8Å; L87-V117 PolarHBondContact N-O 2.89Å; L87-L118 HydrophobicContact CB-CD1 4.1Å; L87-V119 PolarHBondContact O-N 3.36Å; L87-L145 HydrophobicContact CD1-CD1 3.7Å
88V97.8Very high95.8Very high2 Ų238.1 Ų38.11%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-114.5130.4-173.8-169.20000111.2V14 V15 G16 V20 K22 M25 V86 V119 N121V14-V88 HydrophobicContact CG1-CG2 3.66Å; V15-V88 PolarHBondContact O-N 2.91Å; G16-V88 WeakPolarHBondContact CA-O 3.3Å; V20-V88 HydrophobicContact CB-CG1 4.25Å; V20-V88 HydrophobicContact CG2-CB 3.98Å; V20-V88 HydrophobicContact CG2-CG1 3.79Å; K22-V88 HydrophobicContact CG-CB 4.29Å; K22-V88 HydrophobicContact CG-CG2 4.35Å; M25-V88 HydrophobicContact CE-CG2 4.42Å; M25-V88 HydrophobicContact SD-CG2 4.39Å; V86-V88 HydrophobicContact CB-CG2 4.5Å; V86-V88 HydrophobicContact CG1-CG2 3.65Å; V88-V119 HydrophobicContact CG2-CB 4.39Å; V88-N121 HydrophobicContact CG1-CB 3.91Å
89F98.2Very high96.4Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-125.7163.7162.670.3-89000110S96 F97 V100 L118 V119 Q120 N121 I131 A136 F147F89-S96 WeakPolarHBondContact CB-OG 3.38Å; F89-F97 HydrophobicContact CB-CB 4.5Å; F89-F97 HydrophobicContact CD1-CD2 4.42Å; F89-F97 HydrophobicContact CD2-CB 3.97Å; F89-F97 AromaticContact CD2-CD2 4Å; F89-F97 HydrophobicContact CD2-CD2 4Å; F89-F97 HydrophobicContact CD2-CG 4.48Å; F89-F97 HydrophobicContact CE1-CD2 4.2Å; F89-F97 HydrophobicContact CE2-CB 4.47Å; F89-F97 AromaticContact CE2-CD2 3.77Å; F89-F97 HydrophobicContact CE2-CD2 3.77Å; F89-F97 HydrophobicContact CG-CB 4.32Å; F89-F97 HydrophobicContact CG-CD2 4.31Å; F89-F97 AromaticContact CZ-CD2 3.85Å; F89-F97 HydrophobicContact CZ-CD2 3.85Å; F89-F97 HydrophobicContact CZ-CE2 4.31Å; F89-V100 HydrophobicContact CB-CG2 3.98Å; F89-V100 HydrophobicContact CD1-CG2 3.84Å; F89-V100 HydrophobicContact CG-CG2 4.23Å; F89-L118 HydrophobicContact CD1-CD1 3.84Å; F89-L118 HydrophobicContact CD1-CG 4.47Å; F89-L118 HydrophobicContact CE1-CD1 3.83Å; F89-L118 HydrophobicContact CE1-CD2 4.24Å; F89-L118 HydrophobicContact CE1-CG 3.99Å; F89-V119 VanDerWaalsContact CD1-O 3.29Å; F89-V119 WeakPolarHBondContact CD1-O 3.48Å; F89-V119 PolarHBondContact N-O 3.37Å; F89-Q120 HydrophobicContact CD2-CG 4.41Å; F89-Q120 HydrophobicContact CE1-CB 4.01Å; F89-Q120 HydrophobicContact CE2-CB 3.69Å; F89-Q120 HydrophobicContact CE2-CG 3.58Å; F89-Q120 HydrophobicContact CZ-CB 3.42Å; F89-Q120 VanDerWaalsContact CZ-CB 3.42Å; F89-Q120 HydrophobicContact CZ-CG 3.83Å; F89-N121 PolarHBondContact O-N 3.12Å; F89-I131 HydrophobicContact CD2-CD1 3.73Å; F89-I131 HydrophobicContact CE2-CD1 3.76Å; F89-I131 HydrophobicContact CE2-CG2 4.37Å; F89-A136 HydrophobicContact CZ-CB 4.23Å; F89-F147 HydrophobicContact CE1-CE2 4.01Å; F89-F147 HydrophobicContact CZ-CE2 4.03Å; F89-F147 HydrophobicContact CZ-CZ 4.27Å
90S98Very high96.8Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-105138.8179.9169.60000110.7T92 D93 S96 K122 I131S90-T92 PolarHBondContact O-N 3.35Å; S90-T92 VanDerWaalsContact O-N 3.13Å; S90-T92 PolarHBondContact OG-OG1 3.49Å; S90-D93 PolarHBondContact O-N 2.9Å; S90-S96 PolarHBondContact N-OG 2.74Å; S90-K122 WeakPolarHBondContact OG-CD 3.15Å; S90-K122 WeakPolarHBondContact OG-CE 3.33Å; S90-I131 VanDerWaalsContact O-CD1 3.23Å; S90-I131 WeakPolarHBondContact O-CD1 3.21Å
91T98.3Very high97.1Very high0 Ų029.1 Ų29.10%016%0.158CC..THydrogen-bonded Turntrans-59.2-26.9179.4-154.90000113.3Q120 N121 K122 L125 S129 C130T91-Q120 PolarHBondContact OG1-NE2 3.5Å; T91-N121 PolarHBondContact N-O 3.06Å; T91-K122 HydrophobicContact CG2-CB 4.4Å; T91-K122 WeakPolarHBondContact CG2-O 3.29Å; T91-L125 HydrophobicContact CG2-CB 4.39Å; T91-S129 WeakPolarHBondContact O-CA 3.41Å; T91-S129 PolarHBondContact O-OG 3.24Å; T91-S129 WeakPolarHBondContact OG1-CB 3.39Å; T91-S129 PolarHBondContact OG1-OG 2.92Å; T91-C130 PolarHBondContact O-N 2.88Å
92T97.9Very high97.2Very high49 Ų4929.7 Ų29.730%0.30115%0.154SC..THydrogen-bonded Turntrans-9812.6-179.268.10000113.3S90 L125 D128S90-T92 PolarHBondContact O-N 3.35Å; S90-T92 VanDerWaalsContact O-N 3.13Å; S90-T92 PolarHBondContact OG-OG1 3.49Å; T92-L125 HydrophobicContact CG2-CB 3.71Å; T92-L125 HydrophobicContact CG2-CD1 4.06Å; T92-D128 HydrophobicContact CG2-CB 4.07Å
93D97.6Very high97.1Very high43 Ų4329.6 Ų29.623%0.2315%0.152CC..  trans-136.6100.4-175.7-178.8-13.4000111.1S90 E95 S96 F97 C130S90-D93 PolarHBondContact O-N 2.9Å; D93-E95 PolarHBondContact OD1-N 2.87Å; D93-E95 VanDerWaalsContact OD1-N 3.12Å; D93-S96 WeakPolarHBondContact CB-OG 3.32Å; D93-S96 PolarHBondContact O-N 3.12Å; D93-S96 PolarHBondContact O-OG 3.13Å; D93-S96 PolarHBondContact OD1-N 3Å; D93-S96 WeakPolarHBondContact OD2-CB 3.22Å; D93-F97 PolarHBondContact O-N 2.99Å; D93-C130 PolarHBondContact N-SG 2.82Å; D93-C130 VanDerWaalsContact N-SG 3.38Å
94R97.8Very high96.9Very high91 Ų9130.5 Ų30.534%0.34315%0.154SC..Hα-helixtrans-64.4-40.5-178-177.761.6177.8-159.114.9112.6S96 F97 E98 C130 E135R94-S96 VanDerWaalsContact C-N 3.29Å; R94-S96 PolarHBondContact O-N 3.03Å; R94-F97 WeakPolarHBondContact O-CB 3.16Å; R94-F97 PolarHBondContact O-N 3.2Å; R94-F97 VanDerWaalsContact O-N 3.15Å; R94-E98 IonicContact CZ-OE1 2.81Å; R94-E98 IonicContact NE-OE1 3.98Å; R94-E98 PolarHBondContact NE-OE1 3.06Å; R94-E98 IonicContact NH2-OE1 3.95Å; R94-E98 PolarHBondContact O-N 2.82Å; R94-E98 VanDerWaalsContact O-N 3.08Å; R94-C130 PolarHBondContact N-SG 2.97Å; R94-E135 IonicContact CZ-OE1 3.83Å; R94-E135 IonicContact CZ-OE2 3.87Å; R94-E135 VanDerWaalsContact CZ-OE2 3.3Å; R94-E135 IonicContact NH1-OE1 2.85Å; R94-E135 PolarHBondContact NH1-OE1 3Å; R94-E135 IonicContact NH1-OE2 3.75Å; R94-E135 PolarHBondContact NH1-OE2 3.45Å; R94-E135 IonicContact NH2-OE2 2.76Å; R94-E135 PolarHBondContact NH2-OE2 3.02Å
95E96.7Very high96.7Very high139 Ų13936.4 Ų36.465%0.6518%0.182SC*.Hα-helixtrans-64-40.2-178.5-172-177.3174.100110.3D93 F97 E98 A99D93-E95 PolarHBondContact OD1-N 2.87Å; D93-E95 VanDerWaalsContact OD1-N 3.12Å; E95-F97 VanDerWaalsContact C-N 3.28Å; E95-F97 PolarHBondContact O-N 3.31Å; E95-E98 PolarHBondContact O-N 2.91Å; E95-A99 WeakPolarHBondContact O-CB 3.38Å; E95-A99 PolarHBondContact O-N 3.38Å
96S96.9Very high96.4Very high1 Ų139.2 Ų39.21%0.00719%0.194CC..Hα-helixtrans-61.6-34.6175.477.70000113.6V20 F89 S90 D93 R94 V100V20-S96 VanDerWaalsContact CG1-CB 3.49Å; F89-S96 WeakPolarHBondContact CB-OG 3.38Å; S90-S96 PolarHBondContact N-OG 2.74Å; D93-S96 WeakPolarHBondContact CB-OG 3.32Å; D93-S96 PolarHBondContact O-N 3.12Å; D93-S96 PolarHBondContact O-OG 3.13Å; D93-S96 PolarHBondContact OD1-N 3Å; D93-S96 WeakPolarHBondContact OD2-CB 3.22Å; R94-S96 VanDerWaalsContact C-N 3.29Å; R94-S96 PolarHBondContact O-N 3.03Å; S96-V100 WeakPolarHBondContact O-CG2 3.09Å
97F98.4Very high96.2Very high20 Ų2039.3 Ų39.39%0.08819%0.194CC..Hα-helixtrans-70.5-43.3176.8170.7-104.6000111.7F89 D93 R94 E95 A99 V100 I131 E135 A136 L139F89-F97 HydrophobicContact CB-CB 4.5Å; F89-F97 HydrophobicContact CD1-CD2 4.42Å; F89-F97 HydrophobicContact CD2-CB 3.97Å; F89-F97 AromaticContact CD2-CD2 4Å; F89-F97 HydrophobicContact CD2-CD2 4Å; F89-F97 HydrophobicContact CD2-CG 4.48Å; F89-F97 HydrophobicContact CE1-CD2 4.2Å; F89-F97 HydrophobicContact CE2-CB 4.47Å; F89-F97 AromaticContact CE2-CD2 3.77Å; F89-F97 HydrophobicContact CE2-CD2 3.77Å; F89-F97 HydrophobicContact CG-CB 4.32Å; F89-F97 HydrophobicContact CG-CD2 4.31Å; F89-F97 AromaticContact CZ-CD2 3.85Å; F89-F97 HydrophobicContact CZ-CD2 3.85Å; F89-F97 HydrophobicContact CZ-CE2 4.31Å; D93-F97 PolarHBondContact O-N 2.99Å; R94-F97 WeakPolarHBondContact O-CB 3.16Å; R94-F97 PolarHBondContact O-N 3.2Å; R94-F97 VanDerWaalsContact O-N 3.15Å; E95-F97 VanDerWaalsContact C-N 3.28Å; E95-F97 PolarHBondContact O-N 3.31Å; F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 2.86Å; F97-V100 WeakPolarHBondContact O-CB 3.33Å; F97-V100 VanDerWaalsContact O-CG2 3.32Å; F97-V100 WeakPolarHBondContact O-CG2 3.41Å; F97-V100 PolarHBondContact O-N 2.69Å; F97-I131 HydrophobicContact CB-CD1 3.67Å; F97-I131 HydrophobicContact CB-CG1 4.1Å; F97-I131 HydrophobicContact CD2-CG2 4.27Å; F97-I131 HydrophobicContact CE2-CG2 4.36Å; F97-I131 HydrophobicContact CG-CD1 4.17Å; F97-I131 HydrophobicContact CG-CG1 4.21Å; F97-I131 HydrophobicContact CG-CG2 4.48Å; F97-E135 HydrophobicContact CE1-CG 4.22Å; F97-E135 HydrophobicContact CZ-CB 4.22Å; F97-E135 HydrophobicContact CZ-CG 3.99Å; F97-A136 HydrophobicContact CE2-CB 4.44Å; F97-L139 HydrophobicContact CD2-CD2 3.8Å; F97-L139 HydrophobicContact CE2-CB 3.98Å; F97-L139 HydrophobicContact CE2-CD2 3.3Å; F97-L139 HydrophobicContact CE2-CG 4.26Å; F97-L139 HydrophobicContact CZ-CB 4.1Å; F97-L139 HydrophobicContact CZ-CD2 3.9Å
98E97.4Very high96Very high119 Ų11941.5 Ų41.556%0.55621%0.208SC*.Hα-helixtrans-67-34179-69.5174.6-179.100111.8R94 E95 V100R94-E98 IonicContact CZ-OE1 2.81Å; R94-E98 IonicContact NE-OE1 3.98Å; R94-E98 PolarHBondContact NE-OE1 3.06Å; R94-E98 IonicContact NH2-OE1 3.95Å; R94-E98 PolarHBondContact O-N 2.82Å; R94-E98 VanDerWaalsContact O-N 3.08Å; E95-E98 PolarHBondContact O-N 2.91Å; E98-V100 VanDerWaalsContact C-N 3.3Å; E98-V100 PolarHBondContact O-N 3.44Å
99A95.8Very high95.8Very high21 Ų2145.6 Ų45.617%0.17424%0.242CC..THydrogen-bonded Turntrans-72.2-13.5178.500000114.8N17 E95 F97 S101 S102 W103N17-A99 VanDerWaalsContact OD1-CB 3.28Å; N17-A99 WeakPolarHBondContact OD1-CB 3.33Å; E95-A99 WeakPolarHBondContact O-CB 3.38Å; E95-A99 PolarHBondContact O-N 3.38Å; F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 2.86Å; A99-S101 VanDerWaalsContact C-N 3.25Å; A99-S101 PolarHBondContact O-N 3.36Å; A99-S101 VanDerWaalsContact O-N 3.16Å; A99-S102 PolarHBondContact O-N 3.07Å; A99-S102 VanDerWaalsContact O-N 3.09Å; A99-W103 VanDerWaalsContact O-CD1 3.24Å; A99-W103 PolarHBondContact O-N 3.31Å
100V96.6Very high95.6Very high3 Ų348.2 Ų48.22%0.01825%0.254CS..Hα-helixtrans-53.6-40.7-175169.20000112.7L87 F89 S96 F97 E98 W103 R104 L118 L139 L143L87-V100 HydrophobicContact CD1-CG1 4.5Å; F89-V100 HydrophobicContact CB-CG2 3.98Å; F89-V100 HydrophobicContact CD1-CG2 3.84Å; F89-V100 HydrophobicContact CG-CG2 4.23Å; S96-V100 WeakPolarHBondContact O-CG2 3.09Å; F97-V100 WeakPolarHBondContact O-CB 3.33Å; F97-V100 VanDerWaalsContact O-CG2 3.32Å; F97-V100 WeakPolarHBondContact O-CG2 3.41Å; F97-V100 PolarHBondContact O-N 2.69Å; E98-V100 VanDerWaalsContact C-N 3.3Å; E98-V100 PolarHBondContact O-N 3.44Å; V100-W103 PolarHBondContact O-N 2.86Å; V100-R104 PolarHBondContact O-N 2.87Å; V100-L118 HydrophobicContact CG1-CD1 3.59Å; V100-L118 HydrophobicContact CG2-CD1 4.17Å; V100-L139 HydrophobicContact CB-CD2 4.05Å; V100-L139 HydrophobicContact CG1-CD2 4.01Å; V100-L139 HydrophobicContact CG2-CD2 4.28Å; V100-L143 HydrophobicContact CG1-CD1 3.88Å
101S95.7Very high95.4Very high24 Ų2450 Ų5017%0.16827%0.265CS..Hα-helixtrans-66.5-43.7-178.1-560000110.8A99 W103 R104 E105 R142A99-S101 VanDerWaalsContact C-N 3.25Å; A99-S101 PolarHBondContact O-N 3.36Å; A99-S101 VanDerWaalsContact O-N 3.16Å; S101-W103 PolarHBondContact O-N 3.35Å; S101-R104 WeakPolarHBondContact O-CB 3.34Å; S101-R104 PolarHBondContact O-N 2.89Å; S101-E105 WeakPolarHBondContact O-CG 3.38Å; S101-E105 PolarHBondContact O-N 2.89Å; S101-R142 PolarHBondContact OG-NH2 3.02Å; S101-R142 VanDerWaalsContact OG-NH2 3.15Å
102S93.8Very high95.2Very high62 Ų6251.4 Ų51.443%0.43428%0.279SS..Hα-helixtrans-64-40176.7-53.90000112.1A99 R104 E105 K106A99-S102 PolarHBondContact O-N 3.07Å; A99-S102 VanDerWaalsContact O-N 3.09Å; S102-R104 PolarHBondContact O-N 2.82Å; S102-E105 PolarHBondContact O-N 3.49Å; S102-K106 WeakPolarHBondContact O-CG 3.32Å; S102-K106 PolarHBondContact O-N 3.29Å
103W93.5Very high95.1Very high4 Ų454.2 Ų54.22%0.01529%0.293CS..Hα-helixtrans-60.4-44.5173.1-80.4112.9000112.7V15 G16 N17 E69 Y79 L87 A99 V100 S101 E105 K106 V107V15-W103 HydrophobicContact CB-CD2 4.43Å; V15-W103 HydrophobicContact CB-CE3 3.91Å; V15-W103 HydrophobicContact CB-CZ3 4.21Å; V15-W103 HydrophobicContact CG2-CB 4.37Å; V15-W103 HydrophobicContact CG2-CE3 4.38Å; G16-W103 VanDerWaalsContact CA-CE2 3.43Å; G16-W103 WeakPolarHBondContact O-CZ2 3.4Å; N17-W103 PolarHBondContact OD1-NE1 3.44Å; E69-W103 HydrophobicContact CB-CH2 4.32Å; E69-W103 HydrophobicContact CG-CH2 4.34Å; E69-W103 VanDerWaalsContact OE1-CE2 3.25Å; E69-W103 WeakPolarHBondContact OE1-CH2 3.47Å; E69-W103 WeakPolarHBondContact OE1-CZ2 3.49Å; E69-W103 WeakPolarHBondContact OE2-CH2 3.33Å; E69-W103 WeakPolarHBondContact OE2-CZ2 3.21Å; Y79-W103 VanDerWaalsContact OH-CZ3 3.24Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.28Å; L87-W103 HydrophobicContact CD2-CB 3.86Å; A99-W103 VanDerWaalsContact O-CD1 3.24Å; A99-W103 PolarHBondContact O-N 3.31Å; V100-W103 PolarHBondContact O-N 2.86Å; S101-W103 PolarHBondContact O-N 3.35Å; W103-E105 VanDerWaalsContact C-N 3.33Å; W103-E105 PolarHBondContact O-N 3.01Å; W103-K106 HydrophobicContact CE3-CD 4.2Å; W103-K106 PolarHBondContact O-N 3.33Å; W103-V107 PolarHBondContact O-N 2.92Å
104R94.5Very high95Very high60 Ų6053 Ų5323%0.22629%0.286CS..Hα-helixtrans-60.9-44.7176.5-175.3178.4178.6-83.2-7.8111.1L87 V100 S101 S102 K106 V107 V108 D113L87-R104 HydrophobicContact CD1-CB 3.85Å; L87-R104 HydrophobicContact CD1-CG 4.15Å; L87-R104 HydrophobicContact CD2-CB 4.34Å; V100-R104 PolarHBondContact O-N 2.87Å; S101-R104 WeakPolarHBondContact O-CB 3.34Å; S101-R104 PolarHBondContact O-N 2.89Å; S102-R104 PolarHBondContact O-N 2.82Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-K106 PolarHBondContact O-N 3.31Å; R104-V107 PolarHBondContact O-N 3.43Å; R104-V108 HydrophobicContact CG-CG2 4.16Å; R104-V108 WeakPolarHBondContact O-CB 3.45Å; R104-V108 WeakPolarHBondContact O-CG2 3.4Å; R104-V108 PolarHBondContact O-N 3.48Å; R104-D113 IonicContact NH2-OD1 3.84Å; R104-D113 PolarHBondContact NH2-OD1 2.84Å
105E93.6Very high95Very high125 Ų12549.8 Ų49.858%0.58428%0.277SS*.Hα-helixtrans-59.3-42.3178.5-74.3169-16800112S101 S102 W103 V107 V108 A109S101-E105 WeakPolarHBondContact O-CG 3.38Å; S101-E105 PolarHBondContact O-N 2.89Å; S102-E105 PolarHBondContact O-N 3.49Å; W103-E105 VanDerWaalsContact C-N 3.33Å; W103-E105 PolarHBondContact O-N 3.01Å; E105-V107 PolarHBondContact O-N 2.83Å; E105-V108 PolarHBondContact O-N 2.86Å; E105-A109 VanDerWaalsContact O-CB 3.23Å; E105-A109 WeakPolarHBondContact O-CB 3.2Å; E105-A109 PolarHBondContact O-N 3.46Å
106K91.3Very high95.1Very high59 Ų5943.8 Ų43.826%0.25725%0.25SC..Hα-helixtrans-59.9-43.4175.9-70.1175.9-174.9-176.50112.5E69 D72 Y79 S102 W103 R104E69-K106 VanDerWaalsContact CG-NZ 3.28Å; E69-K106 IonicContact OE1-NZ 3.41Å; E69-K106 PolarHBondContact OE1-NZ 2.86Å; D72-K106 IonicContact OD1-NZ 3.25Å; Y79-K106 HydrophobicContact CE2-CB 4.11Å; S102-K106 WeakPolarHBondContact O-CG 3.32Å; S102-K106 PolarHBondContact O-N 3.29Å; W103-K106 HydrophobicContact CE3-CD 4.2Å; W103-K106 PolarHBondContact O-N 3.33Å; R104-K106 VanDerWaalsContact C-N 3.32Å; R104-K106 PolarHBondContact O-N 3.31Å
107V92.6Very high95.2Very high2 Ų243.8 Ų43.81%0.01225%0.249CC..Hα-helixtrans-66.6-49.4177.6176.20000110.5V15 C85 W103 R104 E105 A109 E110 V111 I114V15-V107 HydrophobicContact CG1-CG2 4.3Å; V15-V107 HydrophobicContact CG2-CG2 4.09Å; C85-V107 HydrophobicContact CB-CG1 4.26Å; W103-V107 PolarHBondContact O-N 2.92Å; R104-V107 PolarHBondContact O-N 3.43Å; E105-V107 PolarHBondContact O-N 2.83Å; V107-A109 VanDerWaalsContact C-N 3.28Å; V107-A109 PolarHBondContact O-N 3.01Å; V107-E110 PolarHBondContact O-N 3.44Å; V107-E110 VanDerWaalsContact O-N 3.09Å; V107-V111 HydrophobicContact CG1-CG2 3.81Å; V107-V111 VanDerWaalsContact O-CG2 3.29Å; V107-V111 WeakPolarHBondContact O-CG2 3.29Å; V107-V111 PolarHBondContact O-N 2.85Å; V107-I114 HydrophobicContact CG1-CD1 4.01Å; V107-I114 HydrophobicContact CG1-CG1 4.34Å
108V94.6Very high95.2Very high48 Ų4842.8 Ų42.829%0.29125%0.245SC..Hα-helixtrans-61.9-36.4-179.2172.10000111.7R104 E105 E110 G112R104-V108 HydrophobicContact CG-CG2 4.16Å; R104-V108 WeakPolarHBondContact O-CB 3.45Å; R104-V108 WeakPolarHBondContact O-CG2 3.4Å; R104-V108 PolarHBondContact O-N 3.48Å; E105-V108 PolarHBondContact O-N 2.86Å; V108-E110 PolarHBondContact O-N 3.03Å; V108-G112 WeakPolarHBondContact O-CA 3.17Å; V108-G112 PolarHBondContact O-N 2.77Å
109A92.9Very high95.3Very high87 Ų8737.1 Ų37.172%0.71922%0.219SC*.Hα-helixtrans-64.3-27.2177.500000113.3E105 V107E105-A109 VanDerWaalsContact O-CB 3.23Å; E105-A109 WeakPolarHBondContact O-CB 3.2Å; E105-A109 PolarHBondContact O-N 3.46Å; V107-A109 VanDerWaalsContact C-N 3.28Å; V107-A109 PolarHBondContact O-N 3.01Å
110E93Very high95.4Very high56 Ų5636.1 Ų36.126%0.26221%0.21SC..Hα-helixtrans-96.8-39.2-177.7-172.860.6-148.500113.2K76 Y79 V107 V108K76-E110 HydrophobicContact CB-CG 4.48Å; K76-E110 WeakPolarHBondContact CB-OE2 3.46Å; K76-E110 WeakPolarHBondContact CG-OE2 3.19Å; Y79-E110 HydrophobicContact CD2-CB 4.31Å; V107-E110 PolarHBondContact O-N 3.44Å; V107-E110 VanDerWaalsContact O-N 3.09Å; V108-E110 PolarHBondContact O-N 3.03Å
111V94.8Very high95.5Very high37 Ų3736.2 Ų36.222%0.22421%0.211CC..Hα-helixtrans-124.82.8-173.3-65.30000115.1Y79 V107 I114Y79-V111 WeakPolarHBondContact O-CG1 3.35Å; V107-V111 HydrophobicContact CG1-CG2 3.81Å; V107-V111 VanDerWaalsContact O-CG2 3.29Å; V107-V111 WeakPolarHBondContact O-CG2 3.29Å; V107-V111 PolarHBondContact O-N 2.85Å; V111-I114 HydrophobicContact CB-CG2 4.49Å; V111-I114 HydrophobicContact CG2-CD1 3.74Å; V111-I114 HydrophobicContact CG2-CG1 4.21Å; V111-I114 HydrophobicContact CG2-CG2 4.18Å
112G95Very high95.6Very high30 Ų3037.7 Ų37.731%0.30921%0.214SC..  trans72.7-165.5-175.800000113.1V108 I114V108-G112 WeakPolarHBondContact O-CA 3.17Å; V108-G112 PolarHBondContact O-N 2.77Å; G112-I114 PolarHBondContact O-N 3.43Å
113D94.5Very high95.9Very high108 Ų10836.2 Ų36.258%0.57820%0.201SC*.SBendtrans-79.7103.5-179-160.843.1000110.8R104 K172R104-D113 IonicContact NH2-OD1 3.84Å; R104-D113 PolarHBondContact NH2-OD1 2.84Å; D113-K172 PolarHBondContact O-NZ 3.18Å
114I96.7Very high96.1Very high18 Ų1838.6 Ų38.69%0.09221%0.214CC..  trans-108.8154.4177.159169000110.2A82 C85 V107 V111 G112 T116A82-I114 HydrophobicContact CB-CD1 4.09Å; C85-I114 HydrophobicContact CB-CD1 3.93Å; C85-I114 HydrophobicContact CB-CG1 4.37Å; V107-I114 HydrophobicContact CG1-CD1 4.01Å; V107-I114 HydrophobicContact CG1-CG1 4.34Å; V111-I114 HydrophobicContact CB-CG2 4.49Å; V111-I114 HydrophobicContact CG2-CD1 3.74Å; V111-I114 HydrophobicContact CG2-CG1 4.21Å; V111-I114 HydrophobicContact CG2-CG2 4.18Å; G112-I114 PolarHBondContact O-N 3.43Å; I114-T116 PolarHBondContact O-N 3.49Å; I114-T116 PolarHBondContact O-OG1 2.87Å
115P97.9Very high96.2Very high23 Ų2338.7 Ų38.715%0.14922%0.219CC..  trans-43.3115.2169.7-30.734.2000111.7Q83 A84 C85 L165 K168Q83-P115 WeakPolarHBondContact O-CD 3.45Å; A84-P115 CarbonylContact C-O 3.54Å; A84-P115 WeakPolarHBondContact CA-O 3.38Å; A84-P115 HydrophobicContact CB-CB 4.38Å; C85-P115 PolarHBondContact N-O 3.46Å; P115-L165 HydrophobicContact CB-CD2 4.23Å; P115-L165 WeakPolarHBondContact O-CD2 3.3Å; P115-K168 HydrophobicContact CB-CB 4.11Å; P115-K168 HydrophobicContact CG-CB 4.46Å
116T98.3Very high96.2Very high13 Ų1336.4 Ų36.48%0.0821%0.21CC..EExtended strand (participates in β ladder)trans-132.3142-173.3-59.20000109.7C85 L87 I114 L145C85-T116 HydrophobicContact CB-CG2 4.04Å; C85-T116 VanDerWaalsContact O-CA 3.29Å; C85-T116 WeakPolarHBondContact O-CA 3.36Å; L87-T116 HydrophobicContact CD1-CG2 3.51Å; L87-T116 HydrophobicContact CG-CG2 3.8Å; I114-T116 PolarHBondContact O-N 3.49Å; I114-T116 PolarHBondContact O-OG1 2.87Å; T116-L145 HydrophobicContact CG2-CD1 4.03Å; T116-L145 HydrophobicContact CG2-CD2 4.2Å
117V98.6Very high96.4Very high0 Ų041.6 Ų41.60%024%0.24CC..EExtended strand (participates in β ladder)trans-127.4139.2177.570.90000110.1C85 V86 L87 V119 R146 Y148 V161 Y164 L165C85-V117 PolarHBondContact O-N 3.42Å; V86-V117 HydrophobicContact CB-CG1 4.25Å; V86-V117 HydrophobicContact CG1-CG1 4.04Å; V86-V117 HydrophobicContact CG2-CG1 4.05Å; L87-V117 PolarHBondContact N-O 2.89Å; V117-V119 HydrophobicContact CG1-CG2 4.32Å; V117-R146 HydrophobicContact CG2-CB 4.16Å; V117-R146 HydrophobicContact CG2-CG 4.3Å; V117-R146 VanDerWaalsContact CG2-O 3.28Å; V117-R146 WeakPolarHBondContact CG2-O 3.43Å; V117-Y148 HydrophobicContact CG2-CD2 3.42Å; V117-Y148 VanDerWaalsContact CG2-CD2 3.42Å; V117-Y148 HydrophobicContact CG2-CE2 3.73Å; V117-V161 HydrophobicContact CG1-CG1 3.82Å; V117-Y164 HydrophobicContact CG2-CD1 4.36Å; V117-L165 HydrophobicContact CB-CD2 4.12Å; V117-L165 HydrophobicContact CB-CG 4.38Å; V117-L165 HydrophobicContact CG1-CD1 3.74Å; V117-L165 HydrophobicContact CG1-CD2 4.11Å; V117-L165 HydrophobicContact CG1-CG 3.97Å
118L98.8Very high96.6Very high0 Ų047 Ų470%027%0.269CS..EExtended strand (participates in β ladder)trans-93.5134.1174.2-178.862.3000109.5L87 F89 V100 L139 A140 L145 R146 F147 Y148L87-L118 HydrophobicContact CB-CD1 4.1Å; F89-L118 HydrophobicContact CD1-CD1 3.84Å; F89-L118 HydrophobicContact CD1-CG 4.47Å; F89-L118 HydrophobicContact CE1-CD1 3.83Å; F89-L118 HydrophobicContact CE1-CD2 4.24Å; F89-L118 HydrophobicContact CE1-CG 3.99Å; V100-L118 HydrophobicContact CG1-CD1 3.59Å; V100-L118 HydrophobicContact CG2-CD1 4.17Å; L118-L139 HydrophobicContact CD2-CD2 4.18Å; L118-L139 HydrophobicContact CD2-CG 4.22Å; L118-A140 HydrophobicContact CD2-CB 4.07Å; L118-L145 HydrophobicContact CB-CB 4.26Å; L118-L145 HydrophobicContact CB-CD1 4.29Å; L118-R146 PolarHBondContact N-O 2.7Å; L118-F147 HydrophobicContact CB-CD2 4.07Å; L118-F147 HydrophobicContact CD2-CD2 3.91Å; L118-F147 HydrophobicContact CD2-CE2 4.29Å; L118-F147 HydrophobicContact CG-CD2 3.78Å; L118-F147 HydrophobicContact CG-CE2 4.18Å; L118-F147 WeakPolarHBondContact O-CA 3.32Å; L118-F147 WeakPolarHBondContact O-CD2 3.48Å; L118-Y148 PolarHBondContact O-N 3.15Å
119V98.8Very high96.7Very high0 Ų046.3 Ų46.30%027%0.267CS..EExtended strand (participates in β ladder)trans-128.3122.3-178.7179.40000111.3M25 V86 L87 V88 F89 V117 N121 Y148 T150 V161M25-V119 HydrophobicContact CE-CG1 3.71Å; V86-V119 HydrophobicContact CG1-CB 4.34Å; V86-V119 HydrophobicContact CG1-CG2 3.61Å; L87-V119 PolarHBondContact O-N 3.36Å; V88-V119 HydrophobicContact CG2-CB 4.39Å; F89-V119 VanDerWaalsContact CD1-O 3.29Å; F89-V119 WeakPolarHBondContact CD1-O 3.48Å; F89-V119 PolarHBondContact N-O 3.37Å; V117-V119 HydrophobicContact CG1-CG2 4.32Å; V119-N121 HydrophobicContact CG1-CB 4.45Å; V119-Y148 WeakPolarHBondContact CA-O 3.45Å; V119-T150 HydrophobicContact CG1-CG2 3.57Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.47Å; V119-V161 HydrophobicContact CG2-CG1 4.13Å; V119-V161 HydrophobicContact CG2-CG2 3.85Å
120Q98.8Very high96.9Very high0 Ų044.9 Ų44.90%025%0.251CS..EExtended strand (participates in β ladder)trans-91.1107162.7178.5178.1700108F89 T91 I123 F147 Y148 R149 T150F89-Q120 HydrophobicContact CD2-CG 4.41Å; F89-Q120 HydrophobicContact CE1-CB 4.01Å; F89-Q120 HydrophobicContact CE2-CB 3.69Å; F89-Q120 HydrophobicContact CE2-CG 3.58Å; F89-Q120 HydrophobicContact CZ-CB 3.42Å; F89-Q120 VanDerWaalsContact CZ-CB 3.42Å; F89-Q120 HydrophobicContact CZ-CG 3.83Å; T91-Q120 PolarHBondContact OG1-NE2 3.5Å; Q120-I123 HydrophobicContact CG-CG2 4.21Å; Q120-F147 HydrophobicContact CB-CE2 3.66Å; Q120-F147 HydrophobicContact CB-CZ 3.67Å; Q120-Y148 PolarHBondContact N-O 2.83Å; Q120-R149 HydrophobicContact CB-CG 4.2Å; Q120-R149 CarbonylContact O-C 3.44Å; Q120-R149 WeakPolarHBondContact O-CA 3.5Å; Q120-T150 PolarHBondContact O-N 2.76Å
121N98.6Very high97.1Very high4 Ų442.6 Ų42.62%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-93.9167.4179.8-166.530000112.4V20 V88 F89 T91 V119 T150 V152V20-N121 PolarHBondContact O-ND2 3.4Å; V88-N121 HydrophobicContact CG1-CB 3.91Å; F89-N121 PolarHBondContact O-N 3.12Å; T91-N121 PolarHBondContact N-O 3.06Å; V119-N121 HydrophobicContact CG1-CB 4.45Å; N121-T150 CarbonylContact C-O 3.58Å; N121-T150 WeakPolarHBondContact CA-O 3.41Å; N121-T150 WeakPolarHBondContact CA-OG1 3.32Å; N121-T150 PolarHBondContact OD1-O 3.15Å; N121-T150 PolarHBondContact OD1-OG1 3.27Å; N121-V152 WeakPolarHBondContact OD1-CG2 3.49Å; N121-V152 PolarHBondContact OD1-N 3.03Å
122K98.1Very high97.2Very high55 Ų5548 Ų4824%0.23926%0.261CS..  trans65.335.7179.3-46.2-169.2-165.6168.90113.7A19 S90 T91 D124 L125 T150A19-K122 VanDerWaalsContact O-CE 3.27Å; A19-K122 WeakPolarHBondContact O-CE 3.2Å; A19-K122 PolarHBondContact O-NZ 3.45Å; S90-K122 WeakPolarHBondContact OG-CD 3.15Å; S90-K122 WeakPolarHBondContact OG-CE 3.33Å; T91-K122 HydrophobicContact CG2-CB 4.4Å; T91-K122 WeakPolarHBondContact CG2-O 3.29Å; K122-D124 WeakPolarHBondContact CA-OD1 3.34Å; K122-D124 PolarHBondContact O-N 3.24Å; K122-D124 VanDerWaalsContact O-N 3.11Å; K122-L125 HydrophobicContact CB-CD1 4.38Å; K122-L125 HydrophobicContact CD-CD1 4.45Å; K122-L125 WeakPolarHBondContact O-CB 3.32Å; K122-L125 PolarHBondContact O-N 3.24Å; K122-T150 PolarHBondContact N-O 3.07Å
123I98.3Very high97.2Very high32 Ų3250.2 Ų50.216%0.16427%0.265CS..G310 helixtrans-66.7-9.7178.370.1178.1000113.8Q120 L125 L126 R149 T150Q120-I123 HydrophobicContact CG-CG2 4.21Å; I123-L125 PolarHBondContact O-N 2.93Å; I123-L126 HydrophobicContact CB-CD1 4.05Å; I123-L126 HydrophobicContact CB-CG 4.01Å; I123-L126 WeakPolarHBondContact O-CD1 3.37Å; I123-L126 WeakPolarHBondContact O-CG 3.31Å; I123-L126 PolarHBondContact O-N 2.81Å; I123-R149 HydrophobicContact CD1-CB 4.01Å; I123-R149 HydrophobicContact CG2-CB 3.93Å; I123-R149 HydrophobicContact CG2-CG 4.33Å; I123-T150 WeakPolarHBondContact CG1-O 3.49Å; I123-T150 PolarHBondContact N-O 2.89Å
124D97.8Very high97.4Very high53 Ų5351.5 Ų51.528%0.28327%0.268SS..G310 helixtrans-63.8-11.7164.754.1-73000113.1K122 S151 K153 E154K122-D124 WeakPolarHBondContact CA-OD1 3.34Å; K122-D124 PolarHBondContact O-N 3.24Å; K122-D124 VanDerWaalsContact O-N 3.11Å; D124-S151 VanDerWaalsContact CG-OG 3.28Å; D124-S151 WeakPolarHBondContact OD1-CB 3.46Å; D124-S151 PolarHBondContact OD1-OG 3.29Å; D124-K153 WeakPolarHBondContact OD2-CD 3.29Å; D124-K153 IonicContact OD2-NZ 2.82Å; D124-E154 HydrophobicContact CB-CG 4.04Å
125L96.9Very high97.4Very high63 Ų6352.7 Ų52.733%0.3327%0.273SS..G310 helixtrans-115.133175.8-54.3177.2000111.7T91 T92 K122 I123 D127 D128 S129T91-L125 HydrophobicContact CG2-CB 4.39Å; T92-L125 HydrophobicContact CG2-CB 3.71Å; T92-L125 HydrophobicContact CG2-CD1 4.06Å; K122-L125 HydrophobicContact CB-CD1 4.38Å; K122-L125 HydrophobicContact CD-CD1 4.45Å; K122-L125 WeakPolarHBondContact O-CB 3.32Å; K122-L125 PolarHBondContact O-N 3.24Å; I123-L125 PolarHBondContact O-N 2.93Å; L125-D127 PolarHBondContact O-N 2.61Å; L125-D128 CarbonylContact O-C 3.59Å; L125-D128 PolarHBondContact O-N 3.11Å; L125-D128 VanDerWaalsContact O-N 3.07Å; L125-S129 PolarHBondContact O-N 3.06Å
126L94.1Very high97.4Very high76 Ų7651.6 Ų51.640%0.39827%0.266SS..G310 helixtrans-60.7-29.2-180-87169.4000113.3I123 D128 S129I123-L126 HydrophobicContact CB-CD1 4.05Å; I123-L126 HydrophobicContact CB-CG 4.01Å; I123-L126 WeakPolarHBondContact O-CD1 3.37Å; I123-L126 WeakPolarHBondContact O-CG 3.31Å; I123-L126 PolarHBondContact O-N 2.81Å; L126-D128 PolarHBondContact O-N 3.06Å; L126-S129 WeakPolarHBondContact O-CB 3.29Å; L126-S129 PolarHBondContact O-N 2.88Å
127D96.1Very high97.4Very high168 Ų16854.7 Ų54.790%0.89828%0.28SS*.G310 helixtrans-64.9-28176.1-65.7-24.1000112.2L125L125-D127 PolarHBondContact O-N 2.61Å
128D96.3Very high97.4Very high115 Ų11557.3 Ų57.362%0.61530%0.302SS*.G310 helixtrans-95.511.4175.2-60.8-45.1000112.3T92 L125 L126 C130T92-D128 HydrophobicContact CG2-CB 4.07Å; L125-D128 CarbonylContact O-C 3.59Å; L125-D128 PolarHBondContact O-N 3.11Å; L125-D128 VanDerWaalsContact O-N 3.07Å; L126-D128 PolarHBondContact O-N 3.06Å; D128-C130 PolarHBondContact O-N 3.23Å
129S96.8Very high97.3Very high34 Ų3457.8 Ų57.824%0.23830%0.304CS..  trans-65.9128-175.3-174.20000111.5T91 L125 L126 I131T91-S129 WeakPolarHBondContact O-CA 3.41Å; T91-S129 PolarHBondContact O-OG 3.24Å; T91-S129 WeakPolarHBondContact OG1-CB 3.39Å; T91-S129 PolarHBondContact OG1-OG 2.92Å; L125-S129 PolarHBondContact O-N 3.06Å; L126-S129 WeakPolarHBondContact O-CB 3.29Å; L126-S129 PolarHBondContact O-N 2.88Å; S129-I131 VanDerWaalsContact C-N 3.3Å; S129-I131 PolarHBondContact OG-N 2.77Å; S129-I131 VanDerWaalsContact OG-N 3.15Å; S129-I131 PolarHBondContact OG-O 2.87Å
130C97.1Very high97.3Very high57 Ų5758.2 Ų58.239%0.38531%0.307SS..  trans-94.19.9169.363.90000112.4T91 D93 R94 D128T91-C130 PolarHBondContact O-N 2.88Å; D93-C130 PolarHBondContact N-SG 2.82Å; D93-C130 VanDerWaalsContact N-SG 3.38Å; R94-C130 PolarHBondContact N-SG 2.97Å; D128-C130 PolarHBondContact O-N 3.23Å
131I97.8Very high97.3Very high8 Ų865.5 Ų65.54%0.04134%0.339CS..SBendtrans-123.9123.1-176.6-63.3151.1000109.4F89 S90 F97 S129 E135 A136F89-I131 HydrophobicContact CD2-CD1 3.73Å; F89-I131 HydrophobicContact CE2-CD1 3.76Å; F89-I131 HydrophobicContact CE2-CG2 4.37Å; S90-I131 VanDerWaalsContact O-CD1 3.23Å; S90-I131 WeakPolarHBondContact O-CD1 3.21Å; F97-I131 HydrophobicContact CB-CD1 3.67Å; F97-I131 HydrophobicContact CB-CG1 4.1Å; F97-I131 HydrophobicContact CD2-CG2 4.27Å; F97-I131 HydrophobicContact CE2-CG2 4.36Å; F97-I131 HydrophobicContact CG-CD1 4.17Å; F97-I131 HydrophobicContact CG-CG1 4.21Å; F97-I131 HydrophobicContact CG-CG2 4.48Å; S129-I131 VanDerWaalsContact C-N 3.3Å; S129-I131 PolarHBondContact OG-N 2.77Å; S129-I131 VanDerWaalsContact OG-N 3.15Å; S129-I131 PolarHBondContact OG-O 2.87Å; I131-E135 WeakPolarHBondContact CA-OE1 3.06Å; I131-E135 HydrophobicContact CG2-CG 3.89Å; I131-A136 HydrophobicContact CG2-CB 4.13Å
132K96.7Very high97.2Very high151 Ų15173 Ų7366%0.65737%0.367SS*.  trans-71.3151.4175.2-61.4-177.8178.9179.40110.5E134 E135 A136K132-E134 VanDerWaalsContact C-N 3.33Å; K132-E134 PolarHBondContact O-N 3.32Å; K132-E135 HydrophobicContact CB-CG 3.97Å; K132-E135 PolarHBondContact N-OE1 3.38Å; K132-E135 WeakPolarHBondContact O-CG 3.36Å; K132-E135 PolarHBondContact O-N 2.86Å; K132-A136 PolarHBondContact O-N 2.91Å
133N95.2Very high97.1Very high76 Ų7671.5 Ų71.541%0.40636%0.361SS..Hα-helixtrans-65.6-39.4-179.7-77.5-38.6000112.1E135 A136 E137 R149N133-E135 VanDerWaalsContact C-N 3.34Å; N133-E135 PolarHBondContact O-N 2.92Å; N133-A136 PolarHBondContact O-N 2.86Å; N133-E137 WeakPolarHBondContact O-CG 3.06Å; N133-E137 PolarHBondContact O-N 3.45Å; N133-E137 VanDerWaalsContact O-N 3.12Å; N133-R149 PolarHBondContact OD1-NH2 2.94Å; N133-R149 VanDerWaalsContact OD1-NH2 3.11Å
134E97.5Very high97.1Very high135 Ų13579 Ų7963%0.63139%0.393SS*.Hα-helixtrans-67.7-35.8-176.3-57.774.3-159.400111.6K132 A138K132-E134 VanDerWaalsContact C-N 3.33Å; K132-E134 PolarHBondContact O-N 3.32Å; E134-A138 WeakPolarHBondContact O-CB 3.45Å; E134-A138 PolarHBondContact O-N 2.9Å
135E97.4Very high97.1Very high43 Ų4377.6 Ų77.620%0.20139%0.385CS..Hα-helixtrans-73.1-38.3179.567.9-177.6161.800112.2R94 F97 I131 K132 N133 E137 A138 L139R94-E135 IonicContact CZ-OE1 3.83Å; R94-E135 IonicContact CZ-OE2 3.87Å; R94-E135 VanDerWaalsContact CZ-OE2 3.3Å; R94-E135 IonicContact NH1-OE1 2.85Å; R94-E135 PolarHBondContact NH1-OE1 3Å; R94-E135 IonicContact NH1-OE2 3.75Å; R94-E135 PolarHBondContact NH1-OE2 3.45Å; R94-E135 IonicContact NH2-OE2 2.76Å; R94-E135 PolarHBondContact NH2-OE2 3.02Å; F97-E135 HydrophobicContact CE1-CG 4.22Å; F97-E135 HydrophobicContact CZ-CB 4.22Å; F97-E135 HydrophobicContact CZ-CG 3.99Å; I131-E135 WeakPolarHBondContact CA-OE1 3.06Å; I131-E135 HydrophobicContact CG2-CG 3.89Å; K132-E135 HydrophobicContact CB-CG 3.97Å; K132-E135 PolarHBondContact N-OE1 3.38Å; K132-E135 WeakPolarHBondContact O-CG 3.36Å; K132-E135 PolarHBondContact O-N 2.86Å; N133-E135 VanDerWaalsContact C-N 3.34Å; N133-E135 PolarHBondContact O-N 2.92Å; E135-E137 VanDerWaalsContact C-N 3.34Å; E135-E137 PolarHBondContact O-N 3.03Å; E135-A138 PolarHBondContact O-N 3.4Å; E135-L139 WeakPolarHBondContact O-CB 3.16Å; E135-L139 PolarHBondContact O-N 3.09Å
136A97.6Very high97.2Very high0 Ų080.8 Ų80.80%039%0.393CS..Hα-helixtrans-63.3-42.3174.900000111.3F89 F97 I131 K132 N133 L139 A140 F147F89-A136 HydrophobicContact CZ-CB 4.23Å; F97-A136 HydrophobicContact CE2-CB 4.44Å; I131-A136 HydrophobicContact CG2-CB 4.13Å; K132-A136 PolarHBondContact O-N 2.91Å; N133-A136 PolarHBondContact O-N 2.86Å; A136-L139 PolarHBondContact O-N 2.82Å; A136-A140 PolarHBondContact O-N 3.33Å; A136-F147 HydrophobicContact CB-CE1 4.13Å; A136-F147 HydrophobicContact CB-CZ 3.83Å
137E98.1Very high97.4Very high79 Ų7978.5 Ų78.537%0.36938%0.38SS..Hα-helixtrans-68.8-39176-71.8-179.2-16500112.8N133 E135 L139 A140 K141 F147 R149N133-E137 WeakPolarHBondContact O-CG 3.06Å; N133-E137 PolarHBondContact O-N 3.45Å; N133-E137 VanDerWaalsContact O-N 3.12Å; E135-E137 VanDerWaalsContact C-N 3.34Å; E135-E137 PolarHBondContact O-N 3.03Å; E137-L139 VanDerWaalsContact C-N 3.32Å; E137-A140 PolarHBondContact O-N 3.38Å; E137-K141 WeakPolarHBondContact O-CB 3.33Å; E137-K141 WeakPolarHBondContact O-CG 3.12Å; E137-K141 PolarHBondContact O-N 2.82Å; E137-F147 HydrophobicContact CG-CE1 4.44Å; E137-R149 IonicContact OE1-CZ 3.77Å; E137-R149 IonicContact OE1-NH1 3.77Å; E137-R149 PolarHBondContact OE1-NH1 3.15Å; E137-R149 IonicContact OE1-NH2 2.8Å; E137-R149 PolarHBondContact OE1-NH2 2.82Å
138A98.4Very high97.5Very high55 Ų5572 Ų7246%0.45534%0.343SS..Hα-helixtrans-62.7-41174.400000111.3E134 E135 K141 R142E134-A138 WeakPolarHBondContact O-CB 3.45Å; E134-A138 PolarHBondContact O-N 2.9Å; E135-A138 PolarHBondContact O-N 3.4Å; A138-K141 PolarHBondContact O-N 3.35Å; A138-R142 VanDerWaalsContact O-CB 3.28Å; A138-R142 WeakPolarHBondContact O-CB 3.13Å; A138-R142 PolarHBondContact O-N 3.43Å
139L98.1Very high97.6Very high10 Ų1069.4 Ų69.45%0.05232%0.324CS..Hα-helixtrans-60.8-49.2174.9-179.263.8000111.3F97 V100 L118 E135 A136 E137 K141 R142 L143F97-L139 HydrophobicContact CD2-CD2 3.8Å; F97-L139 HydrophobicContact CE2-CB 3.98Å; F97-L139 HydrophobicContact CE2-CD2 3.3Å; F97-L139 HydrophobicContact CE2-CG 4.26Å; F97-L139 HydrophobicContact CZ-CB 4.1Å; F97-L139 HydrophobicContact CZ-CD2 3.9Å; V100-L139 HydrophobicContact CB-CD2 4.05Å; V100-L139 HydrophobicContact CG1-CD2 4.01Å; V100-L139 HydrophobicContact CG2-CD2 4.28Å; L118-L139 HydrophobicContact CD2-CD2 4.18Å; L118-L139 HydrophobicContact CD2-CG 4.22Å; E135-L139 WeakPolarHBondContact O-CB 3.16Å; E135-L139 PolarHBondContact O-N 3.09Å; A136-L139 PolarHBondContact O-N 2.82Å; E137-L139 VanDerWaalsContact C-N 3.32Å; L139-K141 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 2.77Å; L139-R142 PolarHBondContact O-N 2.91Å; L139-L143 HydrophobicContact CD1-CD1 3.86Å; L139-L143 HydrophobicContact CD1-CG 4.06Å; L139-L143 HydrophobicContact CG-CD1 4.05Å; L139-L143 HydrophobicContact CG-CG 4.49Å; L139-L143 WeakPolarHBondContact O-CG 3.4Å; L139-L143 PolarHBondContact O-N 3.12Å
140A98Very high97.7Very high8 Ų867.8 Ų67.87%0.06631%0.313CS..Hα-helixtrans-57.3-45.9177.600000112.4L118 A136 E137 L143 K144 L145 F147L118-A140 HydrophobicContact CD2-CB 4.07Å; A136-A140 PolarHBondContact O-N 3.33Å; E137-A140 PolarHBondContact O-N 3.38Å; A140-L143 PolarHBondContact O-N 3.19Å; A140-K144 WeakPolarHBondContact O-CA 3.23Å; A140-K144 PolarHBondContact O-N 3.23Å; A140-L145 PolarHBondContact O-N 2.9Å; A140-F147 HydrophobicContact CB-CB 3.61Å; A140-F147 HydrophobicContact CB-CD1 4.36Å; A140-F147 HydrophobicContact CB-CG 3.97Å
141K98.1Very high97.8Very high154 Ų15465 Ų6567%0.6730%0.295SS*.Hα-helixtrans-62.4-44.7176.7-73.7172.8-175170.60111.7E137 A138 L139 L143 K144E137-K141 WeakPolarHBondContact O-CB 3.33Å; E137-K141 WeakPolarHBondContact O-CG 3.12Å; E137-K141 PolarHBondContact O-N 2.82Å; A138-K141 PolarHBondContact O-N 3.35Å; L139-K141 VanDerWaalsContact C-N 3.34Å; L139-K141 PolarHBondContact O-N 2.77Å; K141-L143 VanDerWaalsContact C-N 3.35Å; K141-L143 PolarHBondContact O-N 2.82Å; K141-K144 PolarHBondContact O-N 3.05Å; K141-K144 VanDerWaalsContact O-N 3.14Å
142R97.6Very high97.8Very high160 Ų16064.8 Ų64.860%0.60429%0.294SS*.Hα-helixtrans-61.6-42.5178.6-177.617266.494.1-1.9111.8S101 A138 L139 K144S101-R142 PolarHBondContact OG-NH2 3.02Å; S101-R142 VanDerWaalsContact OG-NH2 3.15Å; A138-R142 VanDerWaalsContact O-CB 3.28Å; A138-R142 WeakPolarHBondContact O-CB 3.13Å; A138-R142 PolarHBondContact O-N 3.43Å; L139-R142 PolarHBondContact O-N 2.91Å; R142-K144 VanDerWaalsContact C-N 3.28Å
143L96.5Very high97.8Very high24 Ų2461.2 Ų61.213%0.12628%0.278CS..Hα-helixtrans-80.8-8.2177.8-60.9-178.9000113.2V100 L139 A140 K141 L145V100-L143 HydrophobicContact CG1-CD1 3.88Å; L139-L143 HydrophobicContact CD1-CD1 3.86Å; L139-L143 HydrophobicContact CD1-CG 4.06Å; L139-L143 HydrophobicContact CG-CD1 4.05Å; L139-L143 HydrophobicContact CG-CG 4.49Å; L139-L143 WeakPolarHBondContact O-CG 3.4Å; L139-L143 PolarHBondContact O-N 3.12Å; A140-L143 PolarHBondContact O-N 3.19Å; K141-L143 VanDerWaalsContact C-N 3.35Å; K141-L143 PolarHBondContact O-N 2.82Å; L143-L145 HydrophobicContact CB-CD1 3.9Å; L143-L145 HydrophobicContact CB-CG 3.79Å; L143-L145 HydrophobicContact CD1-CD1 4.14Å; L143-L145 PolarHBondContact O-N 3.36Å
144K97.3Very high98Very high190 Ų19062.2 Ų62.283%0.82628%0.28SS*.THydrogen-bonded Turntrans5537.4-175-55.9178.2-179.4176.50112.8A140 K141 R142A140-K144 WeakPolarHBondContact O-CA 3.23Å; A140-K144 PolarHBondContact O-N 3.23Å; K141-K144 PolarHBondContact O-N 3.05Å; K141-K144 VanDerWaalsContact O-N 3.14Å; R142-K144 VanDerWaalsContact C-N 3.28Å
145L97.7Very high98Very high24 Ų2458.7 Ų58.713%0.12627%0.266CS..  trans-103.6147.6-178.8-60.5-179.5000111L87 T116 L118 A140 L143 F147L87-L145 HydrophobicContact CD1-CD1 3.7Å; T116-L145 HydrophobicContact CG2-CD1 4.03Å; T116-L145 HydrophobicContact CG2-CD2 4.2Å; L118-L145 HydrophobicContact CB-CB 4.26Å; L118-L145 HydrophobicContact CB-CD1 4.29Å; A140-L145 PolarHBondContact O-N 2.9Å; L143-L145 HydrophobicContact CB-CD1 3.9Å; L143-L145 HydrophobicContact CB-CG 3.79Å; L143-L145 HydrophobicContact CD1-CD1 4.14Å; L143-L145 PolarHBondContact O-N 3.36Å; L145-F147 PolarHBondContact O-N 2.85Å
146R98.3Very high98Very high129 Ų12960.9 Ų60.949%0.48728%0.278SS..EExtended strand (participates in β ladder)trans-63.3136.3163.5-178.165.1178.4153.50.3108.2V117 L118 Y148 Y164V117-R146 HydrophobicContact CG2-CB 4.16Å; V117-R146 HydrophobicContact CG2-CG 4.3Å; V117-R146 VanDerWaalsContact CG2-O 3.28Å; V117-R146 WeakPolarHBondContact CG2-O 3.43Å; L118-R146 PolarHBondContact N-O 2.7Å; R146-Y148 HydrophobicContact CG-CD2 4.14Å; R146-Y148 HydrophobicContact CG-CE2 3.5Å; R146-Y164 HydrophobicContact CB-CD1 4.39Å; R146-Y164 HydrophobicContact CB-CE1 3.6Å; R146-Y164 HydrophobicContact CB-CE2 4.35Å; R146-Y164 HydrophobicContact CG-CD1 4.29Å; R146-Y164 HydrophobicContact CG-CD2 4.48Å; R146-Y164 HydrophobicContact CG-CE1 3.91Å; R146-Y164 HydrophobicContact CG-CE2 4.1Å
147F98.7Very high98.1Very high29 Ų2963.9 Ų63.913%0.12729%0.294CS..EExtended strand (participates in β ladder)trans-118.3127.9-176.2178.9-132.8000110.9F89 L118 Q120 A136 E137 A140 L145 R149F89-F147 HydrophobicContact CE1-CE2 4.01Å; F89-F147 HydrophobicContact CZ-CE2 4.03Å; F89-F147 HydrophobicContact CZ-CZ 4.27Å; L118-F147 HydrophobicContact CB-CD2 4.07Å; L118-F147 HydrophobicContact CD2-CD2 3.91Å; L118-F147 HydrophobicContact CD2-CE2 4.29Å; L118-F147 HydrophobicContact CG-CD2 3.78Å; L118-F147 HydrophobicContact CG-CE2 4.18Å; L118-F147 WeakPolarHBondContact O-CA 3.32Å; L118-F147 WeakPolarHBondContact O-CD2 3.48Å; Q120-F147 HydrophobicContact CB-CE2 3.66Å; Q120-F147 HydrophobicContact CB-CZ 3.67Å; A136-F147 HydrophobicContact CB-CE1 4.13Å; A136-F147 HydrophobicContact CB-CZ 3.83Å; E137-F147 HydrophobicContact CG-CE1 4.44Å; A140-F147 HydrophobicContact CB-CB 3.61Å; A140-F147 HydrophobicContact CB-CD1 4.36Å; A140-F147 HydrophobicContact CB-CG 3.97Å; L145-F147 PolarHBondContact O-N 2.85Å; F147-R149 HydrophobicContact CE1-CG 4.15Å; F147-R149 HydrophobicContact CZ-CG 4.03Å
148Y98.8Very high98.1Very high32 Ų3260.1 Ų60.113%0.12528%0.277CS..EExtended strand (participates in β ladder)trans-119.2141.4172.3-71.7-85.4000111.1V117 L118 V119 Q120 R146 N157 E160 V161 Y164V117-Y148 HydrophobicContact CG2-CD2 3.42Å; V117-Y148 VanDerWaalsContact CG2-CD2 3.42Å; V117-Y148 HydrophobicContact CG2-CE2 3.73Å; L118-Y148 PolarHBondContact O-N 3.15Å; V119-Y148 WeakPolarHBondContact CA-O 3.45Å; Q120-Y148 PolarHBondContact N-O 2.83Å; R146-Y148 HydrophobicContact CG-CD2 4.14Å; R146-Y148 HydrophobicContact CG-CE2 3.5Å; Y148-N157 HydrophobicContact CD1-CB 4.39Å; Y148-E160 HydrophobicContact CE1-CB 4.05Å; Y148-V161 HydrophobicContact CD2-CG2 3.82Å; Y148-V161 HydrophobicContact CG-CG2 3.8Å; Y148-Y164 HydrophobicContact CE2-CD1 4.37Å; Y148-Y164 HydrophobicContact CE2-CG 4.29Å
149R98.7Very high98Very high59 Ų5960.1 Ų60.122%0.22327%0.269CS..EExtended strand (participates in β ladder)trans-99.7118.5166.8-78.7-178.3177.4108.9-8.8107.1Q120 I123 N133 E137 F147 N157Q120-R149 HydrophobicContact CB-CG 4.2Å; Q120-R149 CarbonylContact O-C 3.44Å; Q120-R149 WeakPolarHBondContact O-CA 3.5Å; I123-R149 HydrophobicContact CD1-CB 4.01Å; I123-R149 HydrophobicContact CG2-CB 3.93Å; I123-R149 HydrophobicContact CG2-CG 4.33Å; N133-R149 PolarHBondContact OD1-NH2 2.94Å; N133-R149 VanDerWaalsContact OD1-NH2 3.11Å; E137-R149 IonicContact OE1-CZ 3.77Å; E137-R149 IonicContact OE1-NH1 3.77Å; E137-R149 PolarHBondContact OE1-NH1 3.15Å; E137-R149 IonicContact OE1-NH2 2.8Å; E137-R149 PolarHBondContact OE1-NH2 2.82Å; F147-R149 HydrophobicContact CE1-CG 4.15Å; F147-R149 HydrophobicContact CZ-CG 4.03Å; R149-N157 WeakPolarHBondContact O-CB 3.3Å; R149-N157 PolarHBondContact O-ND2 3.03Å
150T98.8Very high98.1Very high0 Ų063.8 Ų63.80%029%0.286CS..  trans-121.5147.3-174.364.50000111.7M25 V119 Q120 N121 K122 I123 L156 N157 V161M25-T150 HydrophobicContact CE-CG2 4.48Å; V119-T150 HydrophobicContact CG1-CG2 3.57Å; V119-T150 WeakPolarHBondContact CG1-OG1 3.47Å; Q120-T150 PolarHBondContact O-N 2.76Å; N121-T150 CarbonylContact C-O 3.58Å; N121-T150 WeakPolarHBondContact CA-O 3.41Å; N121-T150 WeakPolarHBondContact CA-OG1 3.32Å; N121-T150 PolarHBondContact OD1-O 3.15Å; N121-T150 PolarHBondContact OD1-OG1 3.27Å; K122-T150 PolarHBondContact N-O 3.07Å; I123-T150 WeakPolarHBondContact CG1-O 3.49Å; I123-T150 PolarHBondContact N-O 2.89Å; T150-L156 VanDerWaalsContact CA-O 3.3Å; T150-L156 WeakPolarHBondContact CA-O 3.27Å; T150-L156 WeakPolarHBondContact CB-O 3.23Å; T150-N157 HydrophobicContact CG2-CB 3.91Å; T150-V161 HydrophobicContact CG2-CG2 3.93Å
151S98.4Very high98.1Very high0 Ų063.4 Ų63.40%028%0.283CS..BIsolated β-bridgetrans-119.6106.1158.1177.40000108.2D124 K153 E154 D155 L156D124-S151 VanDerWaalsContact CG-OG 3.28Å; D124-S151 WeakPolarHBondContact OD1-CB 3.46Å; D124-S151 PolarHBondContact OD1-OG 3.29Å; S151-K153 PolarHBondContact O-N 3.38Å; S151-K153 PolarHBondContact OG-N 3.13Å; S151-E154 PolarHBondContact O-N 3.46Å; S151-E154 PolarHBondContact OG-N 3.09Å; S151-D155 CarbonylContact O-C 3.56Å; S151-D155 WeakPolarHBondContact O-CA 3.41Å; S151-D155 PolarHBondContact O-N 3.24Å; S151-L156 PolarHBondContact N-O 3.16Å; S151-L156 VanDerWaalsContact N-O 3.12Å; S151-L156 PolarHBondContact O-N 3.49Å
152V98.1Very high98.1Very high3 Ų356.1 Ų56.12%0.01825%0.251CS..THydrogen-bonded Turntrans-65.2-26.6173.11720000111.7S24 M25 R28 F34 N121 V158S24-V152 VanDerWaalsContact C-CG1 3.4Å; S24-V152 VanDerWaalsContact O-CG1 3.29Å; S24-V152 WeakPolarHBondContact O-CG1 3.44Å; M25-V152 HydrophobicContact CB-CG2 3.71Å; M25-V152 HydrophobicContact CE-CG2 3.88Å; M25-V152 HydrophobicContact CG-CG2 4Å; R28-V152 HydrophobicContact CB-CG1 3.88Å; R28-V152 HydrophobicContact CG-CG1 4.43Å; R28-V152 VanDerWaalsContact CZ-O 3.28Å; R28-V152 PolarHBondContact NE-O 3.06Å; R28-V152 PolarHBondContact NH2-O 3.35Å; F34-V152 HydrophobicContact CD2-CG1 3.99Å; F34-V152 HydrophobicContact CE2-CG1 4.4Å; N121-V152 WeakPolarHBondContact OD1-CG2 3.49Å; N121-V152 PolarHBondContact OD1-N 3.03Å; V152-V158 HydrophobicContact CG2-CG2 4.13Å
153K97.5Very high98.1Very high75 Ų7553.6 Ų53.633%0.32625%0.245SC..THydrogen-bonded Turntrans-70.1-43.9176.5179.3-168.5170.1-126.10111.6R28 F34 D124 S151R28-K153 PolarHBondContact NH2-O 3.34Å; F34-K153 HydrophobicContact CD1-CB 4.5Å; F34-K153 HydrophobicContact CD1-CG 4.26Å; F34-K153 HydrophobicContact CE1-CB 3.98Å; F34-K153 HydrophobicContact CE1-CG 3.68Å; F34-K153 HydrophobicContact CE2-CB 4.13Å; F34-K153 HydrophobicContact CZ-CB 3.78Å; F34-K153 HydrophobicContact CZ-CG 3.94Å; D124-K153 WeakPolarHBondContact OD2-CD 3.29Å; D124-K153 IonicContact OD2-NZ 2.82Å; S151-K153 PolarHBondContact O-N 3.38Å; S151-K153 PolarHBondContact OG-N 3.13Å
154E97.8Very high98.2Very high98 Ų9855 Ų5546%0.45825%0.249SC..THydrogen-bonded Turntrans-94.96.5-179.5-53-56.1149.900112.9D124 S151 L156D124-E154 HydrophobicContact CB-CG 4.04Å; S151-E154 PolarHBondContact O-N 3.46Å; S151-E154 PolarHBondContact OG-N 3.09Å; E154-L156 VanDerWaalsContact C-N 3.25Å; E154-L156 HydrophobicContact CB-CD1 4Å; E154-L156 HydrophobicContact CB-CG 3.89Å; E154-L156 PolarHBondContact O-N 2.99Å
155D97.7Very high98.2Very high61 Ų6146 Ų4633%0.32621%0.21SC..THydrogen-bonded Turntrans54.735-176.3-158.428.8000114.6R28 S151R28-D155 WeakPolarHBondContact CD-OD1 3.39Å; R28-D155 HydrophobicContact CG-CB 4.49Å; R28-D155 WeakPolarHBondContact CG-OD1 3.23Å; S151-D155 CarbonylContact O-C 3.56Å; S151-D155 WeakPolarHBondContact O-CA 3.41Å; S151-D155 PolarHBondContact O-N 3.24Å
156L98.6Very high98.2Very high88 Ų8844.9 Ų44.946%0.46120%0.204SC..BIsolated β-bridgetrans-91.6126.4-179.1-61.2177.2000111.3T150 S151 E154 V158T150-L156 VanDerWaalsContact CA-O 3.3Å; T150-L156 WeakPolarHBondContact CA-O 3.27Å; T150-L156 WeakPolarHBondContact CB-O 3.23Å; S151-L156 PolarHBondContact N-O 3.16Å; S151-L156 VanDerWaalsContact N-O 3.12Å; S151-L156 PolarHBondContact O-N 3.49Å; E154-L156 VanDerWaalsContact C-N 3.25Å; E154-L156 HydrophobicContact CB-CD1 4Å; E154-L156 HydrophobicContact CB-CG 3.89Å; E154-L156 PolarHBondContact O-N 2.99Å; L156-V158 PolarHBondContact O-N 3.17Å; L156-V158 VanDerWaalsContact O-N 3.13Å
157N98.4Very high98.2Very high63 Ų6341.1 Ų41.134%0.33719%0.192SC..SBendtrans61.89.1177.4-66.3-38.1000115.4Y148 R149 T150 E160 V161Y148-N157 HydrophobicContact CD1-CB 4.39Å; R149-N157 WeakPolarHBondContact O-CB 3.3Å; R149-N157 PolarHBondContact O-ND2 3.03Å; T150-N157 HydrophobicContact CG2-CB 3.91Å; N157-E160 WeakPolarHBondContact CA-OE2 3.14Å; N157-V161 WeakPolarHBondContact O-CG2 3.17Å; N157-V161 PolarHBondContact O-N 3.32Å
158V98.3Very high98.1Very high0 Ų043.4 Ų43.40%020%0.201CC..Hα-helixtrans-68.6-46.3-177.9179.60000110.6M25 R28 Y29 V152 L156 E160 F162M25-V158 HydrophobicContact CG-CG1 4.16Å; R28-V158 HydrophobicContact CG-CG1 4.22Å; R28-V158 HydrophobicContact CG-CG2 4.36Å; Y29-V158 HydrophobicContact CD2-CG1 4.38Å; V152-V158 HydrophobicContact CG2-CG2 4.13Å; L156-V158 PolarHBondContact O-N 3.17Å; L156-V158 VanDerWaalsContact O-N 3.13Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-E160 PolarHBondContact O-N 3.2Å; V158-F162 HydrophobicContact CG1-CE2 4.14Å; V158-F162 WeakPolarHBondContact O-CD2 3.27Å
159N97.8Very high98Very high56 Ų5643.4 Ų43.430%0.29920%0.201SC..Hα-helixtrans-67.6-37-179.2-70.1-73.9000111.8Y29 R49 V161 F162 K163Y29-N159 WeakPolarHBondContact CD2-OD1 3.24Å; Y29-N159 HydrophobicContact CE2-CB 4.27Å; Y29-N159 VanDerWaalsContact CE2-OD1 3.32Å; Y29-N159 WeakPolarHBondContact CE2-OD1 3.02Å; R49-N159 PolarHBondContact NH1-OD1 3.49Å; N159-V161 VanDerWaalsContact C-N 3.31Å; N159-V161 PolarHBondContact O-N 3.47Å; N159-F162 PolarHBondContact O-N 3.42Å; N159-K163 VanDerWaalsContact O-CB 3.32Å; N159-K163 WeakPolarHBondContact O-CB 3.49Å; N159-K163 PolarHBondContact O-N 3.03Å
160E98.4Very high97.8Very high87 Ų8740.8 Ų40.841%0.40719%0.192SC..Hα-helixtrans-62.6-37.3-178.3-68.371-165.500111.8Y148 N157 V158 Y164Y148-E160 HydrophobicContact CE1-CB 4.05Å; N157-E160 WeakPolarHBondContact CA-OE2 3.14Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-E160 PolarHBondContact O-N 3.2Å; E160-Y164 WeakPolarHBondContact O-CB 3.05Å; E160-Y164 PolarHBondContact O-N 2.85Å
161V98.7Very high97.5Very high0 Ų045.3 Ų45.30%021%0.213CC..Hα-helixtrans-60.1-52.9176.3164.90000111.2V86 V117 V119 Y148 T150 N157 N159 L165V86-V161 HydrophobicContact CG1-CG1 3.99Å; V86-V161 HydrophobicContact CG2-CG1 3.9Å; V117-V161 HydrophobicContact CG1-CG1 3.82Å; V119-V161 HydrophobicContact CG2-CG1 4.13Å; V119-V161 HydrophobicContact CG2-CG2 3.85Å; Y148-V161 HydrophobicContact CD2-CG2 3.82Å; Y148-V161 HydrophobicContact CG-CG2 3.8Å; T150-V161 HydrophobicContact CG2-CG2 3.93Å; N157-V161 WeakPolarHBondContact O-CG2 3.17Å; N157-V161 PolarHBondContact O-N 3.32Å; N159-V161 VanDerWaalsContact C-N 3.31Å; N159-V161 PolarHBondContact O-N 3.47Å; V161-L165 PolarHBondContact O-N 3.31Å
162F98.3Very high97.3Very high0 Ų049.2 Ų49.20%023%0.23CC..Hα-helixtrans-73.5-38.5-176.4-64.7-74000112.1M12 V14 M25 Y29 L60 L62 V86 V158 N159 L165 A166M12-F162 HydrophobicContact SD-CD1 3.98Å; V14-F162 HydrophobicContact CG2-CE1 4.31Å; M25-F162 HydrophobicContact CG-CE2 3.89Å; M25-F162 HydrophobicContact CG-CZ 3.95Å; M25-F162 HydrophobicContact SD-CE2 4.36Å; M25-F162 HydrophobicContact SD-CZ 4.18Å; Y29-F162 HydrophobicContact CD1-CB 4.46Å; Y29-F162 AromaticContact CD1-CD2 3.77Å; Y29-F162 HydrophobicContact CD1-CD2 3.77Å; Y29-F162 HydrophobicContact CD1-CE2 4.13Å; Y29-F162 HydrophobicContact CD1-CG 4.03Å; Y29-F162 HydrophobicContact CD2-CB 4.31Å; Y29-F162 AromaticContact CD2-CD2 3.38Å; Y29-F162 HydrophobicContact CD2-CD2 3.38Å; Y29-F162 HydrophobicContact CD2-CE2 4.03Å; Y29-F162 HydrophobicContact CD2-CG 4.14Å; Y29-F162 HydrophobicContact CE1-CB 3.89Å; Y29-F162 HydrophobicContact CE1-CD2 4.06Å; Y29-F162 AromaticContact CE1-CG 3.93Å; Y29-F162 HydrophobicContact CE1-CG 3.93Å; Y29-F162 HydrophobicContact CE2-CB 3.74Å; Y29-F162 AromaticContact CE2-CD2 3.73Å; Y29-F162 HydrophobicContact CE2-CD2 3.73Å; Y29-F162 HydrophobicContact CE2-CG 4.07Å; Y29-F162 AromaticContact CG-CD2 3.38Å; Y29-F162 HydrophobicContact CG-CD2 3.38Å; Y29-F162 AromaticContact CG-CE2 3.66Å; Y29-F162 HydrophobicContact CG-CE2 3.66Å; Y29-F162 HydrophobicContact CG-CG 4.1Å; Y29-F162 VanDerWaalsContact CZ-CB 3.48Å; Y29-F162 AromaticContact CZ-CG 3.94Å; L60-F162 HydrophobicContact CD1-CB 4.06Å; L62-F162 HydrophobicContact CD1-CD1 4.13Å; L62-F162 HydrophobicContact CD1-CE1 3.74Å; L62-F162 HydrophobicContact CD1-CZ 4.02Å; L62-F162 HydrophobicContact CD2-CD1 3.77Å; L62-F162 HydrophobicContact CD2-CE1 3.74Å; L62-F162 HydrophobicContact CG-CE1 4.39Å; V86-F162 HydrophobicContact CG2-CE1 4.09Å; V158-F162 HydrophobicContact CG1-CE2 4.14Å; V158-F162 WeakPolarHBondContact O-CD2 3.27Å; N159-F162 PolarHBondContact O-N 3.42Å; F162-L165 PolarHBondContact O-N 3.24Å; F162-A166 PolarHBondContact O-N 2.99Å
163K97.7Very high96.9Very high108 Ų10850.6 Ų50.647%0.4724%0.237SC..Hα-helixtrans-60-46.8174.7-176.6175.5176.5176.60111.5N159 L165 A166 E167N159-K163 VanDerWaalsContact O-CB 3.32Å; N159-K163 WeakPolarHBondContact O-CB 3.49Å; N159-K163 PolarHBondContact O-N 3.03Å; K163-L165 VanDerWaalsContact C-N 3.32Å; K163-L165 PolarHBondContact O-N 3.43Å; K163-A166 PolarHBondContact O-N 3.04Å; K163-E167 WeakPolarHBondContact CE-OE1 3.48Å; K163-E167 WeakPolarHBondContact O-CG 3.49Å; K163-E167 PolarHBondContact O-N 3.45Å
164Y98.4Very high96.6Very high54 Ų5451.9 Ų51.921%0.21224%0.243CC..Hα-helixtrans-58.4-42.9177.2171.5-96.9000112.4V117 R146 Y148 E160 K168V117-Y164 HydrophobicContact CG2-CD1 4.36Å; R146-Y164 HydrophobicContact CB-CD1 4.39Å; R146-Y164 HydrophobicContact CB-CE1 3.6Å; R146-Y164 HydrophobicContact CB-CE2 4.35Å; R146-Y164 HydrophobicContact CG-CD1 4.29Å; R146-Y164 HydrophobicContact CG-CD2 4.48Å; R146-Y164 HydrophobicContact CG-CE1 3.91Å; R146-Y164 HydrophobicContact CG-CE2 4.1Å; Y148-Y164 HydrophobicContact CE2-CD1 4.37Å; Y148-Y164 HydrophobicContact CE2-CG 4.29Å; E160-Y164 WeakPolarHBondContact O-CB 3.05Å; E160-Y164 PolarHBondContact O-N 2.85Å; Y164-K168 HydrophobicContact CD1-CG 4.36Å; Y164-K168 HydrophobicContact CD2-CG 4.33Å; Y164-K168 HydrophobicContact CE1-CG 3.87Å; Y164-K168 HydrophobicContact CE2-CD 4.31Å; Y164-K168 HydrophobicContact CE2-CG 3.84Å; Y164-K168 WeakPolarHBondContact O-CB 3.36Å; Y164-K168 VanDerWaalsContact O-CG 3.3Å; Y164-K168 WeakPolarHBondContact O-CG 3.5Å; Y164-K168 PolarHBondContact O-N 2.9Å; Y164-K168 WeakPolarHBondContact OH-CE 3.35Å
165L98.4Very high96.2Very high0 Ų052.8 Ų52.80%025%0.247CC..Hα-helixtrans-66.4-41178.2-74.8174.9000112.2M12 A84 V86 P115 V117 V161 F162 K163 K168 Y169M12-L165 HydrophobicContact CE-CB 3.71Å; M12-L165 HydrophobicContact SD-CB 4.29Å; M12-L165 HydrophobicContact SD-CD1 4.36Å; A84-L165 HydrophobicContact CB-CB 4.1Å; A84-L165 HydrophobicContact CB-CD1 4.32Å; A84-L165 HydrophobicContact CB-CD2 4.14Å; A84-L165 HydrophobicContact CB-CG 4.43Å; V86-L165 HydrophobicContact CG2-CD1 3.48Å; V86-L165 VanDerWaalsContact CG2-CD1 3.48Å; P115-L165 HydrophobicContact CB-CD2 4.23Å; P115-L165 WeakPolarHBondContact O-CD2 3.3Å; V117-L165 HydrophobicContact CB-CD2 4.12Å; V117-L165 HydrophobicContact CB-CG 4.38Å; V117-L165 HydrophobicContact CG1-CD1 3.74Å; V117-L165 HydrophobicContact CG1-CD2 4.11Å; V117-L165 HydrophobicContact CG1-CG 3.97Å; V161-L165 PolarHBondContact O-N 3.31Å; F162-L165 PolarHBondContact O-N 3.24Å; K163-L165 VanDerWaalsContact C-N 3.32Å; K163-L165 PolarHBondContact O-N 3.43Å; L165-K168 PolarHBondContact O-N 2.76Å; L165-Y169 WeakPolarHBondContact O-CB 3.44Å; L165-Y169 PolarHBondContact O-N 3.12Å
166A97.6Very high95.7Very high0 Ų053.7 Ų53.70%025%0.249CC..Hα-helixtrans-60.4-50.5175.300000111.1I10 M12 I51 V53 L60 F162 K163 K168 Y169 L170I10-A166 HydrophobicContact CD1-CB 4.13Å; M12-A166 HydrophobicContact CE-CB 4.25Å; I51-A166 HydrophobicContact CD1-CB 4.12Å; V53-A166 HydrophobicContact CG2-CB 4.04Å; L60-A166 HydrophobicContact CD2-CB 4.12Å; F162-A166 PolarHBondContact O-N 2.99Å; K163-A166 PolarHBondContact O-N 3.04Å; A166-K168 VanDerWaalsContact C-N 3.32Å; A166-K168 PolarHBondContact O-N 2.81Å; A166-Y169 PolarHBondContact O-N 2.91Å; A166-L170 WeakPolarHBondContact O-CG 3.19Å; A166-L170 PolarHBondContact O-N 3.33Å
167E97Very high95.2Very high50 Ų5052.8 Ų52.823%0.23424%0.244CC..Hα-helixtrans-56.2-44.6176.2-72.4172.1-177.600112.1V53 K163 L170 Q171V53-E167 HydrophobicContact CG1-CB 4.29Å; V53-E167 HydrophobicContact CG1-CG 3.32Å; K163-E167 WeakPolarHBondContact CE-OE1 3.48Å; K163-E167 WeakPolarHBondContact O-CG 3.49Å; K163-E167 PolarHBondContact O-N 3.45Å; E167-L170 PolarHBondContact O-N 2.78Å; E167-Q171 WeakPolarHBondContact O-CB 3.28Å; E167-Q171 VanDerWaalsContact O-CG 3.24Å; E167-Q171 WeakPolarHBondContact O-CG 3.47Å; E167-Q171 PolarHBondContact O-N 3.25Å
168K97.3Very high94.6Very high77 Ų7753.7 Ų53.734%0.33526%0.261SS..Hα-helixtrans-65.6-39.2179.7-77.9-72.4160.7-151.30112.9P115 Y164 L165 A166 K172P115-K168 HydrophobicContact CB-CB 4.11Å; P115-K168 HydrophobicContact CG-CB 4.46Å; Y164-K168 HydrophobicContact CD1-CG 4.36Å; Y164-K168 HydrophobicContact CD2-CG 4.33Å; Y164-K168 HydrophobicContact CE1-CG 3.87Å; Y164-K168 HydrophobicContact CE2-CD 4.31Å; Y164-K168 HydrophobicContact CE2-CG 3.84Å; Y164-K168 WeakPolarHBondContact O-CB 3.36Å; Y164-K168 VanDerWaalsContact O-CG 3.3Å; Y164-K168 WeakPolarHBondContact O-CG 3.5Å; Y164-K168 PolarHBondContact O-N 2.9Å; Y164-K168 WeakPolarHBondContact OH-CE 3.35Å; L165-K168 PolarHBondContact O-N 2.76Å; A166-K168 VanDerWaalsContact C-N 3.32Å; A166-K168 PolarHBondContact O-N 2.81Å; K168-K172 PolarHBondContact O-N 2.62Å; K168-K172 VanDerWaalsContact O-N 3.14Å
169Y96Very high94.1Very high32 Ų3260.4 Ų60.413%0.12529%0.292CS..Hα-helixtrans-69.1-44.5177.2-178.1-108.2000111.7I10 Q83 L165 A166 Q171 K172 L173I10-Y169 HydrophobicContact CB-CD1 4.37Å; I10-Y169 HydrophobicContact CD1-CD1 3.56Å; I10-Y169 HydrophobicContact CD1-CE1 4.4Å; I10-Y169 HydrophobicContact CD1-CG 4.28Å; I10-Y169 HydrophobicContact CG1-CD1 3.6Å; I10-Y169 HydrophobicContact CG1-CE1 3.96Å; I10-Y169 HydrophobicContact CG2-CD1 3.95Å; I10-Y169 HydrophobicContact CG2-CE1 4.38Å; I10-Y169 HydrophobicContact CG2-CG 4.21Å; Q83-Y169 HydrophobicContact CB-CD2 3.86Å; Q83-Y169 HydrophobicContact CB-CE1 4.29Å; Q83-Y169 HydrophobicContact CB-CE2 3.55Å; Q83-Y169 HydrophobicContact CB-CG 4.4Å; Q83-Y169 HydrophobicContact CG-CE1 4.37Å; Q83-Y169 HydrophobicContact CG-CE2 3.74Å; Q83-Y169 PolarHBondContact NE2-OH 3.22Å; L165-Y169 WeakPolarHBondContact O-CB 3.44Å; L165-Y169 PolarHBondContact O-N 3.12Å; A166-Y169 PolarHBondContact O-N 2.91Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 3.38Å; Y169-K172 WeakPolarHBondContact O-CB 2.79Å; Y169-K172 PolarHBondContact O-N 2.89Å; Y169-K172 VanDerWaalsContact O-N 3.13Å; Y169-L173 HydrophobicContact CD1-CD1 3.82Å; Y169-L173 HydrophobicContact CD1-CG 4.2Å; Y169-L173 HydrophobicContact CE1-CD1 3.27Å; Y169-L173 HydrophobicContact CE1-CD2 4.32Å; Y169-L173 HydrophobicContact CE1-CG 3.76Å; Y169-L173 HydrophobicContact CE2-CD2 4.36Å; Y169-L173 HydrophobicContact CE2-CG 4.22Å; Y169-L173 PolarHBondContact O-N 3.47Å
170L94.2Very high93.4Very high4 Ų461.3 Ų61.32%0.02130%0.297CS..Hα-helixtrans-59.9-42.1175.3-68.7-179.1000112.2V8 V53 E56 V58 A166 E167 K172 L173 K174V8-L170 HydrophobicContact CB-CD2 4.25Å; V8-L170 HydrophobicContact CG1-CD2 3.79Å; V8-L170 HydrophobicContact CG2-CD2 4.26Å; V53-L170 HydrophobicContact CB-CD1 4.09Å; V53-L170 HydrophobicContact CG1-CD1 3.96Å; E56-L170 HydrophobicContact CB-CD1 4.49Å; E56-L170 WeakPolarHBondContact OE2-CD2 3.05Å; V58-L170 HydrophobicContact CG2-CD1 3.87Å; V58-L170 HydrophobicContact CG2-CD2 4.38Å; A166-L170 WeakPolarHBondContact O-CG 3.19Å; A166-L170 PolarHBondContact O-N 3.33Å; E167-L170 PolarHBondContact O-N 2.78Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.13Å; L170-L173 PolarHBondContact O-N 3.19Å; L170-K174 WeakPolarHBondContact O-CG 2.81Å; L170-K174 PolarHBondContact O-N 3.21Å
171Q94.1Very high92.3Very high96 Ų9661.7 Ų61.745%0.44931%0.307SS..Hα-helixtrans-57.7-45.5174-76.61708.600111.6E167 Y169 K174 Q175E167-Q171 WeakPolarHBondContact O-CB 3.28Å; E167-Q171 VanDerWaalsContact O-CG 3.24Å; E167-Q171 WeakPolarHBondContact O-CG 3.47Å; E167-Q171 PolarHBondContact O-N 3.25Å; Y169-Q171 VanDerWaalsContact C-N 3.33Å; Y169-Q171 PolarHBondContact O-N 3.38Å; Q171-K174 PolarHBondContact O-N 3.23Å; Q171-Q175 PolarHBondContact O-N 3.25Å; Q171-Q175 VanDerWaalsContact O-N 3.09Å
172K92.6Very high90.9Very high81 Ų8169.7 Ų69.735%0.35234%0.344SS..Hα-helixtrans-63.4-42.7177.7-173.3177.1-179.11780111.6D113 K168 Y169 L170 Q175 Q176D113-K172 PolarHBondContact O-NZ 3.18Å; K168-K172 PolarHBondContact O-N 2.62Å; K168-K172 VanDerWaalsContact O-N 3.14Å; Y169-K172 WeakPolarHBondContact O-CB 2.79Å; Y169-K172 PolarHBondContact O-N 2.89Å; Y169-K172 VanDerWaalsContact O-N 3.13Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.13Å; K172-Q175 PolarHBondContact O-N 3.22Å; K172-Q176 VanDerWaalsContact O-CG 3.31Å; K172-Q176 WeakPolarHBondContact O-CG 3.46Å; K172-Q176 PolarHBondContact O-N 3.44Å
173L90.5Very high89.3Confident33 Ų3372.8 Ų72.817%0.17336%0.36CS..Hα-helixtrans-61.8-47.5176.5-78.1-178000112.2V8 Y169 L170 Q175 Q176 I177V8-L173 HydrophobicContact CG1-CD1 4.17Å; Y169-L173 HydrophobicContact CD1-CD1 3.82Å; Y169-L173 HydrophobicContact CD1-CG 4.2Å; Y169-L173 HydrophobicContact CE1-CD1 3.27Å; Y169-L173 HydrophobicContact CE1-CD2 4.32Å; Y169-L173 HydrophobicContact CE1-CG 3.76Å; Y169-L173 HydrophobicContact CE2-CD2 4.36Å; Y169-L173 HydrophobicContact CE2-CG 4.22Å; Y169-L173 PolarHBondContact O-N 3.47Å; L170-L173 PolarHBondContact O-N 3.19Å; L173-Q175 VanDerWaalsContact C-N 3.28Å; L173-Q175 PolarHBondContact O-N 3.38Å; L173-Q176 PolarHBondContact O-N 3.08Å; L173-I177 WeakPolarHBondContact O-CG1 2.99Å; L173-I177 PolarHBondContact O-N 3.28Å
174K90.2Very high87.4Confident101 Ų10172.2 Ų72.244%0.43936%0.36SS..Hα-helixtrans-58.9-41178-72.4178.8-177.3-172.60111.9E56 L170 Q171 I177 A178E56-K174 WeakPolarHBondContact OE1-CE 3.2Å; E56-K174 IonicContact OE1-NZ 2.63Å; E56-K174 PolarHBondContact OE1-NZ 3.34Å; L170-K174 WeakPolarHBondContact O-CG 2.81Å; L170-K174 PolarHBondContact O-N 3.21Å; Q171-K174 PolarHBondContact O-N 3.23Å; K174-I177 PolarHBondContact O-N 3.32Å; K174-A178 WeakPolarHBondContact O-CB 3.4Å; K174-A178 PolarHBondContact O-N 2.85Å
175Q90.5Very high85Confident118 Ų11877.6 Ų77.655%0.55139%0.387SS*.Hα-helixtrans-65.3-43.4176.8-171.5173.26.100111.9Q171 K172 L173 I177 A178 E179Q171-Q175 PolarHBondContact O-N 3.25Å; Q171-Q175 VanDerWaalsContact O-N 3.09Å; K172-Q175 PolarHBondContact O-N 3.22Å; L173-Q175 VanDerWaalsContact C-N 3.28Å; L173-Q175 PolarHBondContact O-N 3.38Å; Q175-I177 PolarHBondContact O-N 3.15Å; Q175-A178 PolarHBondContact O-N 3.41Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.44Å; Q175-E179 PolarHBondContact NE2-OE1 3.12Å; Q175-E179 WeakPolarHBondContact O-CG 3.47Å; Q175-E179 PolarHBondContact O-N 3.34Å
176Q87.6Confident82.6Confident80 Ų8080 Ų8037%0.37440%0.404SS..Hα-helixtrans-62.5-40.6176.7-72.9175.9-18.500112.5K172 L173 A178 E179 D180K172-Q176 VanDerWaalsContact O-CG 3.31Å; K172-Q176 WeakPolarHBondContact O-CG 3.46Å; K172-Q176 PolarHBondContact O-N 3.44Å; L173-Q176 PolarHBondContact O-N 3.08Å; Q176-A178 VanDerWaalsContact C-N 3.35Å; Q176-E179 PolarHBondContact O-N 3.41Å; Q176-D180 PolarHBondContact O-N 2.97Å
177I86.9Confident80.4Confident68 Ų6883.2 Ų83.235%0.34943%0.426SS..Hα-helixtrans-67.1-37.1176.6-66.9164.7000111.3L173 K174 Q175 E179 D180 M184L173-I177 WeakPolarHBondContact O-CG1 2.99Å; L173-I177 PolarHBondContact O-N 3.28Å; K174-I177 PolarHBondContact O-N 3.32Å; Q175-I177 PolarHBondContact O-N 3.15Å; I177-E179 VanDerWaalsContact C-N 3.3Å; I177-E179 PolarHBondContact O-N 2.72Å; I177-D180 CarbonylContact O-C 3.31Å; I177-D180 VanDerWaalsContact O-C 3.31Å; I177-M184 HydrophobicContact CG2-CG 4.44Å
178A86.8Confident78Confident83 Ų8384.1 Ų84.169%0.68644%0.439SS*.Hα-helixtrans-68.1-32.3177.700000112.4K174 Q175 Q176K174-A178 WeakPolarHBondContact O-CB 3.4Å; K174-A178 PolarHBondContact O-N 2.85Å; Q175-A178 PolarHBondContact O-N 3.41Å; Q176-A178 VanDerWaalsContact C-N 3.35Å
179E87.4Confident75.1Confident141 Ų14187.6 Ų87.666%0.65946%0.461SS*.Hα-helixtrans-81.5-32.3178.1-70.6171.5-169.600112.5Q175 Q176 I177Q175-E179 WeakPolarHBondContact CG-OE1 3.44Å; Q175-E179 PolarHBondContact NE2-OE1 3.12Å; Q175-E179 WeakPolarHBondContact O-CG 3.47Å; Q175-E179 PolarHBondContact O-N 3.34Å; Q176-E179 PolarHBondContact O-N 3.41Å; I177-E179 VanDerWaalsContact C-N 3.3Å; I177-E179 PolarHBondContact O-N 2.72Å
180D83.9Confident72.7Confident74 Ų7494.5 Ų94.540%0.39649%0.491SS..  trans-141.594.8177.5-177.50.5000111.7Q176 I177 E182 L183Q176-D180 PolarHBondContact O-N 2.97Å; I177-D180 CarbonylContact O-C 3.31Å; I177-D180 VanDerWaalsContact O-C 3.31Å; D180-E182 PolarHBondContact O-N 3.28Å; D180-E182 PolarHBondContact OD1-N 2.75Å; D180-L183 HydrophobicContact CB-CD1 3.82Å; D180-L183 HydrophobicContact CB-CG 4.26Å; D180-L183 PolarHBondContact O-N 2.98Å
181P73.5Confident70.5Confident95 Ų9598.5 Ų98.562%0.61751%0.512SS*.G310 helixtrans-65.1-16.2-177.1-23.934.7000115.4L183P181-L183 VanDerWaalsContact C-N 3.28Å; P181-L183 PolarHBondContact O-N 2.82Å
182E70.3Confident67.8Low168 Ų16896.1 Ų96.179%0.78551%0.513SS*.G310 helixtrans-75.6-15.5-178.5-67-170.3172.200112.9D180 M184D180-E182 PolarHBondContact O-N 3.28Å; D180-E182 PolarHBondContact OD1-N 2.75Å; E182-M184 VanDerWaalsContact C-N 3.27Å; E182-M184 PolarHBondContact O-N 2.81Å
183L64.6Low65.2Low65 Ų6599 Ų9934%0.3454%0.537SS..G310 helixtrans-69.1-17.7-178.4-72.1168.4000114.6D180 P181 H185 S186 S187D180-L183 HydrophobicContact CB-CD1 3.82Å; D180-L183 HydrophobicContact CB-CG 4.26Å; D180-L183 PolarHBondContact O-N 2.98Å; P181-L183 VanDerWaalsContact C-N 3.28Å; P181-L183 PolarHBondContact O-N 2.82Å; L183-H185 VanDerWaalsContact C-N 3.26Å; L183-H185 PolarHBondContact O-N 3.07Å; L183-S186 PolarHBondContact O-N 2.8Å; L183-S186 PolarHBondContact O-OG 3.39Å; L183-S187 PolarHBondContact O-OG 3.24Å
184M57.7Low62.7Low96 Ų96106.2 Ų106.247%0.47357%0.568SS.*G310 helixtrans-58.5-34.7-179.5-114.4-169.6103.800112.9M6 I177 E182M6-M184 HydrophobicContact CE-CE 3.82Å; I177-M184 HydrophobicContact CG2-CG 4.44Å; E182-M184 VanDerWaalsContact C-N 3.27Å; E182-M184 PolarHBondContact O-N 2.81Å
185H48.2Very low59.9Low168 Ų168108.1 Ų108.178%0.77858%0.583SS**G310 helixtrans-85.5-10.9-175.6-76.678.7000114.3L183L183-H185 VanDerWaalsContact C-N 3.26Å; L183-H185 PolarHBondContact O-N 3.07Å
186S48.6Very low57.3Low50 Ų50109.6 Ų109.635%0.3560%0.6SS.*THydrogen-bonded Turntrans-98.5-20.8-176.586.40000114L183 S188 N189L183-S186 PolarHBondContact O-N 2.8Å; L183-S186 PolarHBondContact O-OG 3.39Å; S186-S188 PolarHBondContact O-N 3.14Å; S186-N189 PolarHBondContact O-N 3.43Å
187S50Low54.7Low67 Ų67110.3 Ų110.347%0.46961%0.614SS.*SBendtrans-74-27.4-173.1-58.10000112.5L183L183-S187 PolarHBondContact O-OG 3.24Å
188S46.9Very low52.1Low70 Ų70111 Ų11149%0.4964%0.638SS.*SBendtrans-73.9-25.5177.5-37.80000113.4S186S186-S188 PolarHBondContact O-N 3.14Å
189N37.3Very low49.5Very low150 Ų150110.7 Ų110.780%0.80264%0.643SS**SBendtrans-103.1-1.5-173.7-85.6-22000115.1S186S186-N189 PolarHBondContact O-N 3.43Å
190K44.4Very low46.7Very low176 Ų176109.9 Ų109.977%0.76565%0.653SS**  trans-1061.3177.9-77.8-174179.7171.60114.7G192K190-G192 PolarHBondContact O-N 3.23Å
191I48Very low44.2Very low88 Ų88115.5 Ų115.545%0.45168%0.676SS.*SBendtrans-78.493.6169.8-64.6165.1000106.8A9 V193A9-I191 HydrophobicContact CB-CD1 4.26Å; I191-V193 PolarHBondContact O-N 3.37Å
192G38.7Very low42Very low47 Ų47116.7 Ų116.749%0.48569%0.687SS.*  trans-56.1117.5-172.100000112.9K190 F194K190-G192 PolarHBondContact O-N 3.23Å; G192-F194 VanDerWaalsContact C-N 3.31Å; G192-F194 PolarHBondContact O-N 3.23Å
193V37.3Very low40Very low141 Ų141111.9 Ų111.986%0.85568%0.683SS**  trans-56.299.2147179.20000106.7I191I191-V193 PolarHBondContact O-N 3.37Å
194F38.4Very low38.3Very low184 Ų184117.2 Ų117.281%0.80771%0.706SS**  trans-98.3109.8170.4-86.4-81000109.3G192 T196G192-F194 VanDerWaalsContact C-N 3.31Å; G192-F194 PolarHBondContact O-N 3.23Å; F194-T196 PolarHBondContact O-N 3.26Å
195N30.3Very low36.8Very low141 Ų141119.7 Ų119.775%0.75472%0.721SS**  trans-53117.2166.4-104.16.9000109.7S197N195-S197 VanDerWaalsContact C-N 3.26Å; N195-S197 PolarHBondContact O-N 3.09Å
196T36.4Very low35.9Very low150 Ų150117 Ų11792%0.9272%0.721SS**  trans-76.181.6163.353.60000108.8F194F194-T196 PolarHBondContact O-N 3.26Å
197S34Very low35Very low94 Ų94120.1 Ų120.166%0.65774%0.743SS**  trans-113.995.5165.158.70000108.8N195 G199N195-S197 VanDerWaalsContact C-N 3.26Å; N195-S197 PolarHBondContact O-N 3.09Å; S197-G199 PolarHBondContact O-N 2.84Å
198G32.5Very low34Very low84 Ų84123.4 Ų123.487%0.86676%0.76SS**PPolyproline II helixtrans-61.5121162.900000108.7
199G31.7Very low33.1Very low76 Ų76127.9 Ų127.978%0.78478%0.777SS**PPolyproline II helixtrans-85.6135.7177.300000111.5S197S197-G199 PolarHBondContact O-N 2.84Å
200S28.5Very low32.7Very low124 Ų124128.3 Ų128.387%0.86778%0.78SS**PPolyproline II helixtrans-100.5122.4148.240.60000108.3
201H30.4Very low32Very low191 Ų191123.8 Ų123.888%0.88478%0.784SS**PPolyproline II helixtrans-62.4141.4-171.8-96.3-78.8000115.7
202S28.4Very low31.2Very low121 Ų121123 Ų12385%0.84680%0.797SS**  175130.2124.258.10000106.8
203G28.2Very low30.9Very low67 Ų67128.6 Ų128.669%0.69182%0.816SS**  cis151.4103.316.700000106.6
204Q28.3Very low30.8Very low177 Ų177127.8 Ų127.883%0.82781%0.811SS**  trans65.9124.4152.3-62.1-173.11400123.2
205N27Very low30.8Very low148 Ų148126.4 Ų126.479%0.79181%0.81SS**  trans73.5115.5131.6-68.7-5.4000121.1
206S28.2Very low30.9Very low112 Ų112126.6 Ų126.678%0.78381%0.811SS**  trans-145.1109.813562.30000111.2
207S29.5Very low30.7Very low115 Ų115127 Ų12780%0.80481%0.807SS**  trans-61.2147.5152.648.10000110.6
208T29Very low31.1Very low135 Ų135134.1 Ų134.183%0.82882%0.82SS**  trans-119.7108.1160.5-46.30000109.4
209L28.7Very low31.1Very low164 Ų164136.5 Ų136.586%0.85982%0.82SS**  trans-106.4152147.5-89.2164.1000107.5
210N29.6Very low31.2Very low159 Ų159139.7 Ų139.785%0.8582%0.819SS**  trans-51.2147.9-171.3-76.8-44.5000117.7
211G29.6Very low31.7Very low82 Ų82143.3 Ų143.385%0.84582%0.819SS**  100.8120.512800000118
212G30Very low31.9Very low71 Ų71142.9 Ų142.973%0.73282%0.817SS**  trans131.7105.6154.200000116.5
213D33.6Very low32.2Very low164 Ų164147.5 Ų147.588%0.87782%0.816SS**  trans61.3111.9149.8-55.5-24.6000121.6
214V34.1Very low32.5Very low125 Ų125151.1 Ų151.176%0.75883%0.825SS**  trans-97.2117178.3179.30000110.5
215I39.1Very low33Very low154 Ų154151.2 Ų151.279%0.7982%0.823SS**  trans-115.9109.6163.1-54.8176.2000107.9
216N33Very low33.4Very low145 Ų145153.7 Ų153.778%0.77583%0.826SS**  trans-87.5115.8-179-94-41.2000111.3
217L31.1Very low33.7Very low160 Ų160155.1 Ų155.184%0.83883%0.826SS**  trans-119.9119.6165.8-73.4168000109.8
218R42Very low34Very low243 Ų243160.6 Ų160.692%0.91783%0.829SS**PPolyproline II helixtrans-88.6128.3177.3-65.3179.9178.9179.80.4110
219P34Very low34.5Very low133 Ų133161.2 Ų161.286%0.86483%0.827SS**PPolyproline II helixtrans-86.9127.7170.4-624.2000111.8
220N32.4Very low35.3Very low144 Ų144159.3 Ų159.377%0.7782%0.824SS**PPolyproline II helixtrans-76.1137.5176.1-166.26.3000110.8Q222N220-Q222 PolarHBondContact O-N 3.43Å
221K38.6Very low35.8Very low199 Ų199161 Ų16187%0.86582%0.824SS**  trans-75.7115.1173.5-92.8179.5176.5173.20109.7
222Q35.2Very low36.2Very low183 Ų183163 Ų16386%0.85583%0.825SS**  trans-137.1134.3152.6-83.6-174.34.400111.6N220N220-Q222 PolarHBondContact O-N 3.43Å
223R35.1Very low36.9Very low217 Ų217164.8 Ų164.882%0.81983%0.826SS**  trans-109.6127.2-170.2171.4-175.4168.5-174.2-1.3107.7
224T33.8Very low36.9Very low144 Ų144163.2 Ų163.288%0.88383%0.827SS**  trans-137.3134.7165.246.90000111.4
225K39.6Very low37.2Very low178 Ų178162.8 Ų162.877%0.77483%0.829SS**  trans-82.8150.5179.8-68174172.5178.80110.9
226K34.6Very low37.2Very low200 Ų200162.9 Ų162.987%0.8783%0.83SS**  trans-176.2114.1132.1-111.4176.5174.3176.60114.8
227N35Very low38.4Very low143 Ų143165 Ų16577%0.76585%0.852SS**  36.7121119.8-99.611.3000121.4
228R36.8Very low38.8Very low230 Ų230165.3 Ų165.387%0.86885%0.852SS**  164.2136.296.1-102.1174.7-177.6178.9-0.2112.6
229N38.8Very low38.6Very low148 Ų148161.2 Ų161.279%0.79185%0.849SS**  trans-72.4161.8155.5-71.6-6.3000110.1
230P46.3Very low38.9Very low123 Ų123162.7 Ų162.780%0.79985%0.848SS**  -147.316792.933.5-13000116.4
231F39.5Very low39.3Very low195 Ų195163.8 Ų163.886%0.85585%0.853SS**  trans-44.5151.7176.3-70.8-100.4000117.8
232S37.3Very low39.3Very low124 Ų124161.6 Ų161.687%0.86785%0.852SS**  -175.214211742.90000113.1
233S45Very low39.6Very low108 Ų108160.2 Ų160.276%0.75585%0.852SS**  trans-77.2153.4177.248.30000113.8
234C34Very low39.9Very low132 Ų132156.1 Ų156.189%0.89285%0.854SS**  trans-151.6131153.6-105.90000111.7
235S40.5Very low40.4Very low115 Ų115157.1 Ų157.180%0.80485%0.852SS**  trans-118.4138.4175.3-42.10000108.5
236I39.4Very low40.5Very low156 Ų156155.3 Ų155.380%0.886%0.858SS**  trans-164.4160.4165.1-43.2174.6000108.8
237P58.6Low41Very low190 Ų190151.3 Ų151.3100%1.23486%0.857SS**  cis-107.20-38.525.5-9.6000113.3

Retrieved 237 of 237 residues in 331.5 ms (Link to these results)

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