A0A096NXB4_PAPAN Loading...

Intraflagellar transport 52

AlphaFold DB (F6X5E4), UniProt , Accession A0A096NXB4, Species PAPAN (Papio anubis, Olive baboon), Gene IFT52, Length 437 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
1M33Very low67.3Low241 Ų24198.7 Ų98.7100%1.18748%0.48SS*.  0106.20-74.4177.3-161.300106.7K3M1-K3 PolarHBondContact O-N 3.22Å
2E29.1Very low69.6Low193 Ų19390.6 Ų90.690%0.90244%0.441SS*.  trans-59.8117.7173.5-73.2172.1141.600108E4E2-E4 PolarHBondContact O-N 3.05Å
3K43.3Very low71.5Confident200 Ų20085.6 Ų85.687%0.8742%0.423SS*.  trans-64.9107.2168.3-81.3-178.5175.5179.20106M1 L5M1-K3 PolarHBondContact O-N 3.22Å; K3-L5 PolarHBondContact O-N 3.06Å
4E47.1Very low73Confident136 Ų13682 Ų8264%0.63640%0.403SS*.  trans-47119.7168.6-78.9-177.4151.500108.3E2 R6E2-E4 PolarHBondContact O-N 3.05Å; E4-R6 PolarHBondContact O-N 3.43Å
5L58.3Low74.4Confident163 Ų16377.4 Ų77.485%0.85338%0.38SS*.  trans-6885.1179.8-94.7136.2000109K3 S7K3-L5 PolarHBondContact O-N 3.06Å; L5-S7 PolarHBondContact O-N 3.23Å; L5-S7 PolarHBondContact O-OG 2.88Å
6R70.5Confident75.5Confident66 Ų6680.3 Ų80.325%0.24939%0.389CS..  trans-61.1107169.1-65177.71801796.8107.5E4 W36 G52 V53 K54 S79 G80 G81E4-R6 PolarHBondContact O-N 3.43Å; R6-W36 WeakPolarHBondContact O-CZ3 3.12Å; R6-G52 WeakPolarHBondContact CA-O 3.38Å; R6-V53 WeakPolarHBondContact CD-O 3.38Å; R6-K54 HydrophobicContact CB-CB 3.84Å; R6-K54 HydrophobicContact CB-CD 4.19Å; R6-S79 PolarHBondContact NH1-O 3.48Å; R6-S79 PolarHBondContact NH2-O 3.15Å; R6-G80 PolarHBondContact NH1-O 3.06Å; R6-G80 VanDerWaalsContact NH1-O 3.11Å; R6-G81 VanDerWaalsContact NH1-N 3.14Å
7S83.3Confident76.6Confident63 Ų6376 Ų7644%0.44137%0.369SS..  trans-122.97.2-171.951.80000113L5 K37L5-S7 PolarHBondContact O-N 3.23Å; L5-S7 PolarHBondContact O-OG 2.88Å; S7-K37 PolarHBondContact O-N 3.27Å
8T91.6Very high77.6Confident17 Ų1774.2 Ų74.210%0.10436%0.361CS..EExtended strand (participates in β ladder)trans-111.8134.2-175.8-540000111.3V10 K37 Q39 K54T8-V10 HydrophobicContact CG2-CG2 4.18Å; T8-K37 CarbonylContact C-O 3.6Å; T8-K37 VanDerWaalsContact CA-O 3.29Å; T8-K37 WeakPolarHBondContact CA-O 3.45Å; T8-K37 WeakPolarHBondContact CG2-O 3.49Å; T8-Q39 HydrophobicContact CG2-CB 4.16Å; T8-Q39 HydrophobicContact CG2-CG 3.85Å; T8-K54 PolarHBondContact O-N 2.86Å
9I94.3Very high78.5Confident0 Ų071.4 Ų71.40%035%0.347CS..EExtended strand (participates in β ladder)trans-105.6128.2168.5-61.6-179000108F11 L32 W36 K37 I38 Q39 L55 I57 F237I9-F11 HydrophobicContact CG2-CD2 4.33Å; I9-F11 HydrophobicContact CG2-CE2 3.95Å; I9-L32 HydrophobicContact CD1-CD1 4.46Å; I9-L32 HydrophobicContact CD1-CD2 4.36Å; I9-W36 HydrophobicContact CD1-CB 3.67Å; I9-W36 HydrophobicContact CD1-CD2 3.97Å; I9-W36 HydrophobicContact CD1-CG 3.49Å; I9-W36 VanDerWaalsContact CD1-CG 3.49Å; I9-W36 HydrophobicContact CG1-CB 3.88Å; I9-W36 HydrophobicContact CG1-CD2 4.16Å; I9-W36 HydrophobicContact CG1-CE3 4.28Å; I9-W36 HydrophobicContact CG1-CG 3.96Å; I9-K37 PolarHBondContact N-O 3.03Å; I9-I38 WeakPolarHBondContact O-CA 3.37Å; I9-Q39 PolarHBondContact O-N 3.29Å; I9-L55 WeakPolarHBondContact CA-O 2.95Å; I9-L55 HydrophobicContact CD1-CD2 4.43Å; I9-L55 HydrophobicContact CG1-CB 4.22Å; I9-L55 HydrophobicContact CG2-CB 4.38Å; I9-L55 HydrophobicContact CG2-CD2 4.35Å; I9-L55 HydrophobicContact CG2-CG 4.4Å; I9-I57 HydrophobicContact CG2-CD1 3.53Å; I9-I57 HydrophobicContact CG2-CG1 4.16Å; I9-F237 HydrophobicContact CD1-CD1 4.43Å; I9-F237 HydrophobicContact CD1-CE1 4.33Å
10V94.8Very high79.1Confident6 Ų669 Ų694%0.03634%0.336CS..EExtended strand (participates in β ladder)trans-110.3125.2-178.8173.30000110.3T8 Q39 L41 V53 L55 I57T8-V10 HydrophobicContact CG2-CG2 4.18Å; V10-Q39 WeakPolarHBondContact CA-O 3.36Å; V10-Q39 HydrophobicContact CG2-CB 4.32Å; V10-L41 HydrophobicContact CG1-CB 3.57Å; V10-L41 HydrophobicContact CG1-CD2 4.38Å; V10-V53 HydrophobicContact CB-CG1 3.95Å; V10-V53 HydrophobicContact CG2-CB 4.25Å; V10-V53 HydrophobicContact CG2-CG1 3.64Å; V10-V53 HydrophobicContact CG2-CG2 3.51Å; V10-L55 PolarHBondContact N-O 2.74Å; V10-I57 PolarHBondContact O-N 2.8Å
11F95.1Very high79.5Confident1 Ų166.5 Ų66.50%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-96.7123.1168.6-74.4-102000109.8I9 T21 Y25 M28 L32 I38 Q39 S40 L41 I57I9-F11 HydrophobicContact CG2-CD2 4.33Å; I9-F11 HydrophobicContact CG2-CE2 3.95Å; F11-T21 HydrophobicContact CB-CG2 3.7Å; F11-T21 HydrophobicContact CD2-CG2 3.81Å; F11-T21 HydrophobicContact CG-CG2 3.8Å; F11-Y25 HydrophobicContact CD1-CD2 4.17Å; F11-Y25 AromaticContact CE1-CD2 3.74Å; F11-Y25 HydrophobicContact CE1-CD2 3.74Å; F11-Y25 HydrophobicContact CE1-CE2 4.29Å; F11-M28 HydrophobicContact CE1-CE 4.15Å; F11-M28 HydrophobicContact CE1-SD 4.08Å; F11-M28 HydrophobicContact CZ-CE 3.99Å; F11-M28 HydrophobicContact CZ-SD 4.12Å; F11-L32 HydrophobicContact CZ-CD1 4.26Å; F11-I38 HydrophobicContact CD2-CG2 3.67Å; F11-I38 HydrophobicContact CE2-CG2 3.74Å; F11-Q39 PolarHBondContact N-O 3.42Å; F11-S40 CarbonylContact O-C 3.53Å; F11-S40 WeakPolarHBondContact O-CA 3.42Å; F11-L41 PolarHBondContact O-N 3.2Å; F11-I57 HydrophobicContact CD1-CB 4.19Å; F11-I57 HydrophobicContact CD1-CD1 4.35Å; F11-I57 HydrophobicContact CD1-CG2 4.11Å; F11-I57 HydrophobicContact CD2-CD1 4.39Å; F11-I57 HydrophobicContact CE1-CB 4.39Å; F11-I57 HydrophobicContact CE1-CD1 3.84Å; F11-I57 HydrophobicContact CE1-CG2 4.1Å; F11-I57 HydrophobicContact CE2-CD1 3.89Å; F11-I57 HydrophobicContact CZ-CD1 3.6Å
12N94.9Very high82.1Confident1 Ų160.5 Ų60.51%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-70.5136.5174.8-15147.7000110.8Y14 E17 W56 I57N12-Y14 WeakPolarHBondContact ND2-CD1 3.34Å; N12-Y14 WeakPolarHBondContact ND2-CE1 3.42Å; N12-Y14 WeakPolarHBondContact OD1-CD1 3.26Å; N12-Y14 WeakPolarHBondContact OD1-CE1 3.27Å; N12-E17 VanDerWaalsContact CB-OE1 3.28Å; N12-E17 WeakPolarHBondContact CB-OE1 3.46Å; N12-E17 VanDerWaalsContact CG-OE1 3.3Å; N12-E17 PolarHBondContact ND2-OE1 2.78Å; N12-E17 VanDerWaalsContact O-CD 3.29Å; N12-E17 WeakPolarHBondContact O-CG 3.39Å; N12-W56 HydrophobicContact CB-CZ2 3.86Å; N12-I57 WeakPolarHBondContact CB-O 3.28Å; N12-I57 PolarHBondContact N-O 2.68Å
13A93.6Very high84.9Confident26 Ų2655.8 Ų55.822%0.21528%0.279CS..  trans-137.1-5.417900000113.7E17 T20 L41A13-E17 WeakPolarHBondContact CA-OE2 3.44Å; A13-E17 PolarHBondContact N-OE2 3.03Å; A13-T20 HydrophobicContact CB-CG2 3.84Å; A13-L41 PolarHBondContact N-O 3.38Å
14Y92.9Very high87Confident35 Ų3546.9 Ų46.914%0.13724%0.244CC..THydrogen-bonded Turntrans-86.4-17.1-174.384.2-80.8000113.7N12 K16 E17 L41 K42 I45 E69N12-Y14 WeakPolarHBondContact ND2-CD1 3.34Å; N12-Y14 WeakPolarHBondContact ND2-CE1 3.42Å; N12-Y14 WeakPolarHBondContact OD1-CD1 3.26Å; N12-Y14 WeakPolarHBondContact OD1-CE1 3.27Å; Y14-K16 PolarHBondContact O-N 3.49Å; Y14-E17 PolarHBondContact N-OE2 2.98Å; Y14-L41 PolarHBondContact N-O 2.84Å; Y14-K42 WeakPolarHBondContact CB-O 3.36Å; Y14-I45 HydrophobicContact CE1-CD1 3.69Å; Y14-I45 HydrophobicContact CE1-CG1 3.47Å; Y14-I45 VanDerWaalsContact CE1-CG1 3.47Å; Y14-I45 WeakPolarHBondContact OH-CD1 3.41Å; Y14-I45 VanDerWaalsContact OH-CG1 3.28Å; Y14-I45 WeakPolarHBondContact OH-CG1 3.17Å; Y14-E69 WeakPolarHBondContact CE2-OE1 3.44Å; Y14-E69 VanDerWaalsContact CZ-OE1 3.26Å; Y14-E69 PolarHBondContact OH-OE1 3.18Å
15K93.9Very high89.2Confident13 Ų1340.4 Ų40.46%0.05721%0.213CC..THydrogen-bonded Turntrans-9229.2174.5-64.9-65-165.8-169.80111.9E17 P61 R62 E63 K64 F65 E69K15-E17 VanDerWaalsContact C-N 3.28Å; K15-E17 PolarHBondContact N-OE2 3.18Å; K15-E17 PolarHBondContact O-N 3.32Å; K15-P61 HydrophobicContact CB-CB 4.11Å; K15-R62 PolarHBondContact O-N 2.81Å; K15-E63 HydrophobicContact CB-CB 4.26Å; K15-E63 HydrophobicContact CD-CB 3.94Å; K15-E63 PolarHBondContact O-N 2.98Å; K15-K64 WeakPolarHBondContact CE-O 3.29Å; K15-K64 PolarHBondContact NZ-O 2.94Å; K15-F65 HydrophobicContact CB-CZ 4.34Å; K15-F65 HydrophobicContact CD-CD1 4.46Å; K15-F65 HydrophobicContact CD-CE1 4.4Å; K15-F65 HydrophobicContact CG-CD1 4.28Å; K15-F65 HydrophobicContact CG-CE1 3.74Å; K15-F65 HydrophobicContact CG-CE2 4.25Å; K15-F65 HydrophobicContact CG-CZ 3.72Å; K15-E69 VanDerWaalsContact CE-OE1 3.3Å; K15-E69 WeakPolarHBondContact CE-OE1 3.49Å; K15-E69 WeakPolarHBondContact CE-OE2 3.32Å; K15-E69 VanDerWaalsContact NZ-CD 3.28Å; K15-E69 IonicContact NZ-OE1 3.37Å; K15-E69 PolarHBondContact NZ-OE1 3.01Å; K15-E69 IonicContact NZ-OE2 3.42Å; K15-E69 PolarHBondContact NZ-OE2 3.37Å
16K93.1Very high90.7Very high123 Ų12339.1 Ų39.154%0.53520%0.201SC..  trans52.841.8-178.8-63.8-179.7177.7149.30113.6Y14 R62 E63Y14-K16 PolarHBondContact O-N 3.49Å; K16-R62 HydrophobicContact CB-CB 4.33Å; K16-R62 PolarHBondContact O-NE 3.11Å; K16-R62 PolarHBondContact O-NH2 3.46Å; K16-E63 HydrophobicContact CB-CG 4.39Å; K16-E63 HydrophobicContact CD-CG 4.01Å; K16-E63 VanDerWaalsContact CD-OE1 3.23Å; K16-E63 WeakPolarHBondContact CD-OE1 3.48Å; K16-E63 WeakPolarHBondContact CE-OE1 3.29Å; K16-E63 HydrophobicContact CG-CG 4.22Å; K16-E63 IonicContact NZ-OE1 2.61Å; K16-E63 PolarHBondContact NZ-OE1 3.47Å
17E93.8Very high91.7Very high8 Ų837.7 Ų37.74%0.03720%0.201CC..  trans-47.9141.7176.8-77.477.1-177.400112.6N12 A13 Y14 K15 F19 T20 T58 A59 G60N12-E17 VanDerWaalsContact CB-OE1 3.28Å; N12-E17 WeakPolarHBondContact CB-OE1 3.46Å; N12-E17 VanDerWaalsContact CG-OE1 3.3Å; N12-E17 PolarHBondContact ND2-OE1 2.78Å; N12-E17 VanDerWaalsContact O-CD 3.29Å; N12-E17 WeakPolarHBondContact O-CG 3.39Å; A13-E17 WeakPolarHBondContact CA-OE2 3.44Å; A13-E17 PolarHBondContact N-OE2 3.03Å; Y14-E17 PolarHBondContact N-OE2 2.98Å; K15-E17 VanDerWaalsContact C-N 3.28Å; K15-E17 PolarHBondContact N-OE2 3.18Å; K15-E17 PolarHBondContact O-N 3.32Å; E17-F19 VanDerWaalsContact C-N 3.35Å; E17-F19 WeakPolarHBondContact CB-O 3.41Å; E17-T20 HydrophobicContact CB-CG2 4.04Å; E17-T58 PolarHBondContact OE1-OG1 3.46Å; E17-T58 VanDerWaalsContact OE1-OG1 3.1Å; E17-A59 WeakPolarHBondContact CB-O 3.4Å; E17-G60 WeakPolarHBondContact CA-O 3.45Å
18I93.8Very high92Very high44 Ų4434.7 Ų34.723%0.22618%0.18CC..SBendtrans-63-46.4174.7-66.6-169.4000110.1N23 A59 G60 R62 F95I18-N23 PolarHBondContact O-ND2 2.9Å; I18-A59 PolarHBondContact N-O 2.58Å; I18-G60 PolarHBondContact N-O 2.84Å; I18-R62 HydrophobicContact CG1-CG 4.26Å; I18-F95 HydrophobicContact CD1-CD1 4.11Å; I18-F95 HydrophobicContact CD1-CE1 3.16Å; I18-F95 HydrophobicContact CD1-CZ 3.43Å; I18-F95 VanDerWaalsContact CD1-CZ 3.43Å; I18-F95 HydrophobicContact CG1-CE1 3.82Å
19F94.3Very high92Very high21 Ų2134.3 Ų34.39%0.09218%0.177CC..SBendtrans-113.6134.4-179.8-63.2-58.5000110.7E17 N23 Y25 A59 C216 H217E17-F19 VanDerWaalsContact C-N 3.35Å; E17-F19 WeakPolarHBondContact CB-O 3.41Å; F19-N23 WeakPolarHBondContact CA-O 3.26Å; F19-Y25 HydrophobicContact CB-CD1 4.23Å; F19-Y25 HydrophobicContact CB-CD2 3.77Å; F19-Y25 HydrophobicContact CB-CE1 3.88Å; F19-Y25 HydrophobicContact CB-CE2 3.44Å; F19-Y25 VanDerWaalsContact CB-CE2 3.44Å; F19-Y25 HydrophobicContact CB-CG 4.15Å; F19-Y25 VanDerWaalsContact CB-CZ 3.47Å; F19-Y25 AromaticContact CD2-CE1 3.99Å; F19-Y25 HydrophobicContact CD2-CE1 3.99Å; F19-Y25 AromaticContact CD2-CZ 3.84Å; F19-Y25 HydrophobicContact CG-CD1 4.44Å; F19-Y25 AromaticContact CG-CE1 3.93Å; F19-Y25 HydrophobicContact CG-CE1 3.93Å; F19-Y25 HydrophobicContact CG-CE2 4.33Å; F19-Y25 AromaticContact CG-CZ 3.87Å; F19-A59 HydrophobicContact CB-CB 4.08Å; F19-A59 PolarHBondContact N-O 3.46Å; F19-C216 HydrophobicContact CD2-CB 3.91Å; F19-C216 WeakPolarHBondContact CD2-O 3.35Å; F19-C216 HydrophobicContact CE2-CB 4.24Å; F19-C216 WeakPolarHBondContact CE2-O 3.45Å; F19-H217 HydrophobicContact CE2-CB 4.48Å; F19-H217 AromaticContact CE2-CE1 3.9Å; F19-H217 AromaticContact CE2-CG 3.89Å; F19-H217 AromaticContact CE2-ND1 3.76Å; F19-H217 AromaticContact CZ-CE1 3.63Å; F19-H217 AromaticContact CZ-ND1 3.49Å; F19-H217 WeakPolarHBondContact CZ-ND1 3.44Å
20T91.9Very high91.8Very high23 Ų2342.6 Ų42.614%0.14121%0.213CC..BIsolated β-bridgetrans-138179.1-178.762.30000109.1A13 E17 N22 N23A13-T20 HydrophobicContact CB-CG2 3.84Å; E17-T20 HydrophobicContact CB-CG2 4.04Å; T20-N22 PolarHBondContact O-N 3.39Å; T20-N22 VanDerWaalsContact O-N 3.09Å; T20-N22 PolarHBondContact OG1-N 3.24Å; T20-N23 PolarHBondContact N-O 2.88Å; T20-N23 CarbonylContact O-C 2.87Å; T20-N23 PolarHBondContact O-N 2.85Å; T20-N23 VanDerWaalsContact O-N 3.16Å; T20-N23 PolarHBondContact OG1-N 3.29Å
21T87.7Confident91.6Very high17 Ų1745.9 Ų45.910%0.10423%0.227CC..THydrogen-bonded Turntrans-61.4-20.8174.258.50000113.5F11 Q29 I38 S40F11-T21 HydrophobicContact CB-CG2 3.7Å; F11-T21 HydrophobicContact CD2-CG2 3.81Å; F11-T21 HydrophobicContact CG-CG2 3.8Å; T21-Q29 VanDerWaalsContact C-NE2 3.25Å; T21-Q29 PolarHBondContact O-NE2 2.87Å; T21-I38 HydrophobicContact CG2-CG2 3.95Å; T21-S40 WeakPolarHBondContact OG1-CB 3.36Å
22N87.4Confident91.3Very high114 Ų11446.4 Ų46.461%0.6123%0.23SC*.THydrogen-bonded Turntrans-94.6-20.7-179.9-63.6-19.3000112.3T20T20-N22 PolarHBondContact O-N 3.39Å; T20-N22 VanDerWaalsContact O-N 3.09Å; T20-N22 PolarHBondContact OG1-N 3.24Å
23N88.4Confident91Very high95 Ų9554.2 Ų54.251%0.50826%0.259SS..BIsolated β-bridgetrans-133.4116.7-170.7-170.834.7000112.2I18 F19 T20 Y25I18-N23 PolarHBondContact O-ND2 2.9Å; F19-N23 WeakPolarHBondContact CA-O 3.26Å; T20-N23 PolarHBondContact N-O 2.88Å; T20-N23 CarbonylContact O-C 2.87Å; T20-N23 PolarHBondContact O-N 2.85Å; T20-N23 VanDerWaalsContact O-N 3.16Å; T20-N23 PolarHBondContact OG1-N 3.29Å; N23-Y25 VanDerWaalsContact C-N 3.34Å; N23-Y25 PolarHBondContact O-N 2.68Å
24G86.5Confident90.7Very high12 Ų1257.1 Ų57.112%0.12428%0.278CS..BIsolated β-bridgetrans79.6-9.5168.200000117.9S220 D221G24-S220 CarbonylContact O-C 3.52Å; G24-S220 VanDerWaalsContact O-CA 3.26Å; G24-S220 WeakPolarHBondContact O-CA 3.46Å; G24-D221 VanDerWaalsContact C-OD2 3.29Å; G24-D221 PolarHBondContact O-N 3.33Å
25Y92.7Very high90.4Very high0 Ų061.7 Ų61.70%031%0.305CS..  trans-119.937177.6-69.6-22.8000113.8F11 F19 N23 M28 Q29 A59 M86 C216 F219F11-Y25 HydrophobicContact CD1-CD2 4.17Å; F11-Y25 AromaticContact CE1-CD2 3.74Å; F11-Y25 HydrophobicContact CE1-CD2 3.74Å; F11-Y25 HydrophobicContact CE1-CE2 4.29Å; F19-Y25 HydrophobicContact CB-CD1 4.23Å; F19-Y25 HydrophobicContact CB-CD2 3.77Å; F19-Y25 HydrophobicContact CB-CE1 3.88Å; F19-Y25 HydrophobicContact CB-CE2 3.44Å; F19-Y25 VanDerWaalsContact CB-CE2 3.44Å; F19-Y25 HydrophobicContact CB-CG 4.15Å; F19-Y25 VanDerWaalsContact CB-CZ 3.47Å; F19-Y25 AromaticContact CD2-CE1 3.99Å; F19-Y25 HydrophobicContact CD2-CE1 3.99Å; F19-Y25 AromaticContact CD2-CZ 3.84Å; F19-Y25 HydrophobicContact CG-CD1 4.44Å; F19-Y25 AromaticContact CG-CE1 3.93Å; F19-Y25 HydrophobicContact CG-CE1 3.93Å; F19-Y25 HydrophobicContact CG-CE2 4.33Å; F19-Y25 AromaticContact CG-CZ 3.87Å; N23-Y25 VanDerWaalsContact C-N 3.34Å; N23-Y25 PolarHBondContact O-N 2.68Å; Y25-M28 HydrophobicContact CD1-SD 4.04Å; Y25-M28 HydrophobicContact CD2-SD 3.91Å; Y25-M28 HydrophobicContact CE1-SD 4.43Å; Y25-M28 HydrophobicContact CE2-SD 4.24Å; Y25-M28 HydrophobicContact CG-SD 3.81Å; Y25-Q29 WeakPolarHBondContact O-CB 3.12Å; Y25-Q29 VanDerWaalsContact O-CG 3.27Å; Y25-Q29 WeakPolarHBondContact O-CG 3.16Å; Y25-Q29 PolarHBondContact O-N 3.25Å; Y25-Q29 PolarHBondContact O-NE2 3.4Å; Y25-A59 HydrophobicContact CE2-CB 3.44Å; Y25-A59 VanDerWaalsContact CE2-CB 3.44Å; Y25-M86 HydrophobicContact CE2-CE 3.77Å; Y25-M86 VanDerWaalsContact OH-CE 3.26Å; Y25-M86 WeakPolarHBondContact OH-CE 3.35Å; Y25-C216 PolarHBondContact OH-O 2.87Å; Y25-F219 WeakPolarHBondContact CD1-O 3.37Å; Y25-F219 HydrophobicContact CE1-CB 4.25Å
26K90.7Very high90.3Very high136 Ų13663.6 Ų63.659%0.59131%0.312SS*.Hα-helixtrans-69.1-43.1178.3-66.6178.8-179.3174.40111.6Q29 K30 D221K26-Q29 PolarHBondContact O-N 2.95Å; K26-K30 WeakPolarHBondContact O-CB 3.42Å; K26-K30 PolarHBondContact O-N 2.91Å; K26-D221 WeakPolarHBondContact CB-OD2 3.26Å; K26-D221 PolarHBondContact N-OD1 3.13Å; K26-D221 PolarHBondContact N-OD2 3.24Å; K26-D221 VanDerWaalsContact N-OD2 3.17Å
27S90.5Very high90.2Very high37 Ų3763.8 Ų63.826%0.25931%0.312SS..Hα-helixtrans-66.5-44.4179-66.90000111.3Q29 K30 K31 D221S27-Q29 PolarHBondContact O-N 3.45Å; S27-K30 PolarHBondContact O-N 3.2Å; S27-K31 PolarHBondContact O-N 3.48Å; S27-K31 VanDerWaalsContact O-N 3.17Å; S27-D221 WeakPolarHBondContact CB-OD1 3.48Å; S27-D221 PolarHBondContact N-OD1 3.09Å
28M90.7Very high90.2Very high0 Ų064.7 Ų64.70%032%0.317CS..Hα-helixtrans-58.1-47.7174.5-179.8-174.9-173.500111.5F11 Y25 K30 K31 L32 I57 F219 L224 M233 F237F11-M28 HydrophobicContact CE1-CE 4.15Å; F11-M28 HydrophobicContact CE1-SD 4.08Å; F11-M28 HydrophobicContact CZ-CE 3.99Å; F11-M28 HydrophobicContact CZ-SD 4.12Å; Y25-M28 HydrophobicContact CD1-SD 4.04Å; Y25-M28 HydrophobicContact CD2-SD 3.91Å; Y25-M28 HydrophobicContact CE1-SD 4.43Å; Y25-M28 HydrophobicContact CE2-SD 4.24Å; Y25-M28 HydrophobicContact CG-SD 3.81Å; M28-K30 PolarHBondContact O-N 3.12Å; M28-K31 PolarHBondContact O-N 2.91Å; M28-L32 HydrophobicContact CE-CD1 4.11Å; M28-L32 HydrophobicContact CG-CD1 4.02Å; M28-L32 WeakPolarHBondContact O-CG 3.26Å; M28-L32 PolarHBondContact O-N 3.31Å; M28-I57 HydrophobicContact CE-CD1 4.48Å; M28-F219 HydrophobicContact SD-CB 4.23Å; M28-L224 HydrophobicContact CB-CD2 4.12Å; M28-M233 HydrophobicContact CB-SD 4.29Å; M28-M233 HydrophobicContact CG-SD 3.82Å; M28-F237 HydrophobicContact CE-CE1 4.14Å; M28-F237 HydrophobicContact CE-CE2 3.29Å; M28-F237 HydrophobicContact CE-CZ 3.05Å
29Q91.1Very high90.1Very high8 Ų866.6 Ų66.64%0.03733%0.325CS..Hα-helixtrans-62.5-42175.9-80.6173.471.600113.1T21 Y25 K26 S27 K31 L32 R33 I38T21-Q29 VanDerWaalsContact C-NE2 3.25Å; T21-Q29 PolarHBondContact O-NE2 2.87Å; Y25-Q29 WeakPolarHBondContact O-CB 3.12Å; Y25-Q29 VanDerWaalsContact O-CG 3.27Å; Y25-Q29 WeakPolarHBondContact O-CG 3.16Å; Y25-Q29 PolarHBondContact O-N 3.25Å; Y25-Q29 PolarHBondContact O-NE2 3.4Å; K26-Q29 PolarHBondContact O-N 2.95Å; S27-Q29 PolarHBondContact O-N 3.45Å; Q29-K31 PolarHBondContact O-N 3.18Å; Q29-L32 PolarHBondContact O-N 3.43Å; Q29-R33 WeakPolarHBondContact O-CB 3.39Å; Q29-R33 VanDerWaalsContact O-CG 3.28Å; Q29-R33 WeakPolarHBondContact O-CG 3.3Å; Q29-R33 PolarHBondContact O-N 3.3Å; Q29-R33 VanDerWaalsContact OE1-NH2 3.08Å; Q29-I38 HydrophobicContact CB-CD1 3.79Å; Q29-I38 HydrophobicContact CG-CD1 3.72Å; Q29-I38 HydrophobicContact CG-CG2 4.3Å; Q29-I38 WeakPolarHBondContact O-CD1 3.37Å
30K90.7Very high90Very high174 Ų17467.5 Ų67.576%0.75733%0.334SS*.Hα-helixtrans-56.7-41.1179.2-175.3-177.8177.1-1750110.9K26 S27 M28K26-K30 WeakPolarHBondContact O-CB 3.42Å; K26-K30 PolarHBondContact O-N 2.91Å; S27-K30 PolarHBondContact O-N 3.2Å; M28-K30 PolarHBondContact O-N 3.12Å
31K88.9Confident90.1Very high75 Ų7567.1 Ų67.133%0.32633%0.331SS..Hα-helixtrans-67-47.6175.1-72.1-172.5170.7-166.70112.1S27 M28 Q29 R33 S34 S230 M233S27-K31 PolarHBondContact O-N 3.48Å; S27-K31 VanDerWaalsContact O-N 3.17Å; M28-K31 PolarHBondContact O-N 2.91Å; Q29-K31 PolarHBondContact O-N 3.18Å; K31-R33 PolarHBondContact O-N 3.19Å; K31-S34 WeakPolarHBondContact O-CB 3.39Å; K31-S34 PolarHBondContact O-N 3.19Å; K31-S34 PolarHBondContact O-OG 3.37Å; K31-S230 VanDerWaalsContact NZ-CB 3.33Å; K31-M233 HydrophobicContact CB-CE 4.13Å; K31-M233 HydrophobicContact CD-CE 3.58Å
32L89.6Confident90.2Very high13 Ų1373 Ų737%0.06836%0.355CS..Hα-helixtrans-69.7-29.8-176.6-67.3173.8000113.9I9 F11 M28 Q29 S34 N35 W36 I38 F237I9-L32 HydrophobicContact CD1-CD1 4.46Å; I9-L32 HydrophobicContact CD1-CD2 4.36Å; F11-L32 HydrophobicContact CZ-CD1 4.26Å; M28-L32 HydrophobicContact CE-CD1 4.11Å; M28-L32 HydrophobicContact CG-CD1 4.02Å; M28-L32 WeakPolarHBondContact O-CG 3.26Å; M28-L32 PolarHBondContact O-N 3.31Å; Q29-L32 PolarHBondContact O-N 3.43Å; L32-S34 PolarHBondContact O-N 2.99Å; L32-S34 VanDerWaalsContact O-N 3.12Å; L32-N35 PolarHBondContact O-N 3.1Å; L32-W36 PolarHBondContact O-N 3.07Å; L32-I38 HydrophobicContact CB-CD1 3.74Å; L32-I38 HydrophobicContact CB-CG1 4.48Å; L32-F237 HydrophobicContact CD1-CD1 4.03Å; L32-F237 HydrophobicContact CD1-CE1 3.49Å; L32-F237 VanDerWaalsContact CD1-CE1 3.49Å; L32-F237 HydrophobicContact CD1-CZ 3.89Å; L32-F237 HydrophobicContact CD2-CB 4.41Å; L32-F237 HydrophobicContact CD2-CD1 3.38Å; L32-F237 HydrophobicContact CD2-CE1 3.79Å; L32-F237 HydrophobicContact CD2-CG 3.87Å; L32-F237 HydrophobicContact CG-CD1 4.35Å; L32-F237 HydrophobicContact CG-CE1 4.29Å
33R89.5Confident90.3Very high165 Ų16572.5 Ų72.562%0.62335%0.352SS*.THydrogen-bonded Turntrans-63.4-14.7177.9-78.3-177.6-167-164.95.4114.2Q29 K31 N35 W36 I38Q29-R33 WeakPolarHBondContact O-CB 3.39Å; Q29-R33 VanDerWaalsContact O-CG 3.28Å; Q29-R33 WeakPolarHBondContact O-CG 3.3Å; Q29-R33 PolarHBondContact O-N 3.3Å; Q29-R33 VanDerWaalsContact OE1-NH2 3.08Å; K31-R33 PolarHBondContact O-N 3.19Å; R33-N35 VanDerWaalsContact C-N 3.3Å; R33-W36 WeakPolarHBondContact CA-O 3.3Å; R33-I38 HydrophobicContact CG-CD1 3.58Å; R33-I38 HydrophobicContact CG-CG1 3.96Å
34S87Confident90.4Very high86 Ų8673.3 Ų73.360%0.60135%0.353SS*.THydrogen-bonded Turntrans-61.9-39.6174.258.50000112.1K31 L32K31-S34 WeakPolarHBondContact O-CB 3.39Å; K31-S34 PolarHBondContact O-N 3.19Å; K31-S34 PolarHBondContact O-OG 3.37Å; L32-S34 PolarHBondContact O-N 2.99Å; L32-S34 VanDerWaalsContact O-N 3.12Å
35N87Confident90.6Very high131 Ų13172.8 Ų72.870%0.70135%0.348SS*.THydrogen-bonded Turntrans-119.8-18.6-171.4-62.3-28.6000113.4L32 R33L32-N35 PolarHBondContact O-N 3.1Å; R33-N35 VanDerWaalsContact C-N 3.3Å
36W90.4Very high90.5Very high54 Ų5475.3 Ų75.321%0.20536%0.363CS..SBendtrans-131.1145.6-170.6-58.896.8000112.9R6 I9 L32 R33 K54 T241R6-W36 WeakPolarHBondContact O-CZ3 3.12Å; I9-W36 HydrophobicContact CD1-CB 3.67Å; I9-W36 HydrophobicContact CD1-CD2 3.97Å; I9-W36 HydrophobicContact CD1-CG 3.49Å; I9-W36 VanDerWaalsContact CD1-CG 3.49Å; I9-W36 HydrophobicContact CG1-CB 3.88Å; I9-W36 HydrophobicContact CG1-CD2 4.16Å; I9-W36 HydrophobicContact CG1-CE3 4.28Å; I9-W36 HydrophobicContact CG1-CG 3.96Å; L32-W36 PolarHBondContact O-N 3.07Å; R33-W36 WeakPolarHBondContact CA-O 3.3Å; W36-K54 HydrophobicContact CE3-CB 4.48Å; W36-K54 HydrophobicContact CH2-CG 3.94Å; W36-K54 HydrophobicContact CZ3-CB 3.86Å; W36-K54 HydrophobicContact CZ3-CG 3.78Å; W36-T241 HydrophobicContact CH2-CG2 4.33Å; W36-T241 VanDerWaalsContact CZ2-CB 3.45Å; W36-T241 HydrophobicContact CZ2-CG2 3.8Å
37K91.9Very high90.3Very high127 Ų12772.2 Ų72.255%0.55236%0.359SS*.EExtended strand (participates in β ladder)trans-80122168.6-172179.8-178.3-1770109.2S7 T8 I9S7-K37 PolarHBondContact O-N 3.27Å; T8-K37 CarbonylContact C-O 3.6Å; T8-K37 VanDerWaalsContact CA-O 3.29Å; T8-K37 WeakPolarHBondContact CA-O 3.45Å; T8-K37 WeakPolarHBondContact CG2-O 3.49Å; I9-K37 PolarHBondContact N-O 3.03Å
38I92.8Very high90.2Very high27 Ų2778.5 Ų78.514%0.13838%0.384CS..EExtended strand (participates in β ladder)trans-98.7129.8-179.5-53.5-176.4000110.1I9 F11 T21 Q29 L32 R33I9-I38 WeakPolarHBondContact O-CA 3.37Å; F11-I38 HydrophobicContact CD2-CG2 3.67Å; F11-I38 HydrophobicContact CE2-CG2 3.74Å; T21-I38 HydrophobicContact CG2-CG2 3.95Å; Q29-I38 HydrophobicContact CB-CD1 3.79Å; Q29-I38 HydrophobicContact CG-CD1 3.72Å; Q29-I38 HydrophobicContact CG-CG2 4.3Å; Q29-I38 WeakPolarHBondContact O-CD1 3.37Å; L32-I38 HydrophobicContact CB-CD1 3.74Å; L32-I38 HydrophobicContact CB-CG1 4.48Å; R33-I38 HydrophobicContact CG-CD1 3.58Å; R33-I38 HydrophobicContact CG-CG1 3.96Å
39Q92.5Very high90Very high84 Ų8482.3 Ų82.339%0.39340%0.401SS..EExtended strand (participates in β ladder)trans-127.7153.4174.5-69.2-175.9-16.100111T8 I9 V10 F11T8-Q39 HydrophobicContact CG2-CB 4.16Å; T8-Q39 HydrophobicContact CG2-CG 3.85Å; I9-Q39 PolarHBondContact O-N 3.29Å; V10-Q39 WeakPolarHBondContact CA-O 3.36Å; V10-Q39 HydrophobicContact CG2-CB 4.32Å; F11-Q39 PolarHBondContact N-O 3.42Å
40S92.8Very high89.8Confident40 Ų4082.3 Ų82.328%0.2840%0.4SS..EExtended strand (participates in β ladder)trans-111.4128.3174.4-178.90000109.4F11 T21F11-S40 CarbonylContact O-C 3.53Å; F11-S40 WeakPolarHBondContact O-CA 3.42Å; T21-S40 WeakPolarHBondContact OG1-CB 3.36Å
41L92.5Very high89.6Confident15 Ų1578.9 Ų78.98%0.07939%0.391CS..EExtended strand (participates in β ladder)trans-95.7110.4178.2179.362.8000110V10 F11 A13 Y14 D43 I45 K49V10-L41 HydrophobicContact CG1-CB 3.57Å; V10-L41 HydrophobicContact CG1-CD2 4.38Å; F11-L41 PolarHBondContact O-N 3.2Å; A13-L41 PolarHBondContact N-O 3.38Å; Y14-L41 PolarHBondContact N-O 2.84Å; L41-D43 WeakPolarHBondContact CD1-O 3.33Å; L41-D43 WeakPolarHBondContact CG-O 3.28Å; L41-I45 HydrophobicContact CD2-CG1 3.77Å; L41-K49 HydrophobicContact CD1-CD 3.71Å
42K90.4Very high89.4Confident141 Ų14176.5 Ų76.561%0.61339%0.387SS*.  trans-105.2-13.4-176.3-63.9-173.5-176.8179.60114.9Y14Y14-K42 WeakPolarHBondContact CB-O 3.36Å
43D90.1Very high89.5Confident102 Ų10276 Ų7655%0.54539%0.385SS..SBendtrans-114.8174175.2-13-68.7000110.1L41 K49L41-D43 WeakPolarHBondContact CD1-O 3.33Å; L41-D43 WeakPolarHBondContact CG-O 3.28Å; D43-K49 VanDerWaalsContact CB-NZ 3.33Å; D43-K49 IonicContact OD2-NZ 2.8Å; D43-K49 PolarHBondContact OD2-NZ 3.27Å
44E89.2Confident89.7Confident112 Ų11270.2 Ų70.252%0.52336%0.364SS..  trans-50.1143.7-176.8-165.9172.7-170.500113T46E44-T46 PolarHBondContact O-N 2.66Å
45I91.2Very high90Very high2 Ų266.1 Ų66.11%0.0134%0.336CS..  trans-68.6124.5178.3-66.3167000108.8Y14 L41 L50 W56 F65 I72 L73Y14-I45 HydrophobicContact CE1-CD1 3.69Å; Y14-I45 HydrophobicContact CE1-CG1 3.47Å; Y14-I45 VanDerWaalsContact CE1-CG1 3.47Å; Y14-I45 WeakPolarHBondContact OH-CD1 3.41Å; Y14-I45 VanDerWaalsContact OH-CG1 3.28Å; Y14-I45 WeakPolarHBondContact OH-CG1 3.17Å; L41-I45 HydrophobicContact CD2-CG1 3.77Å; I45-L50 HydrophobicContact CG2-CD1 3.76Å; I45-L50 HydrophobicContact CG2-CG 4.26Å; I45-W56 HydrophobicContact CD1-CZ2 3.72Å; I45-F65 HydrophobicContact CD1-CE1 4.26Å; I45-I72 HydrophobicContact CG2-CB 4.4Å; I45-I72 HydrophobicContact CG2-CG2 3.75Å; I45-I72 WeakPolarHBondContact O-CD1 3.37Å; I45-L73 HydrophobicContact CD1-CD1 4.45Å; I45-L73 HydrophobicContact CD1-CD2 4.38Å
46T90.4Very high90.5Very high52 Ų5259.9 Ų59.932%0.31930%0.302SS..  trans-129.6151171.163.50000109.9E44 E48 K49 L50E44-T46 PolarHBondContact O-N 2.66Å; T46-E48 PolarHBondContact O-N 3.24Å; T46-K49 PolarHBondContact O-N 3.26Å; T46-K49 VanDerWaalsContact O-N 3.1Å; T46-K49 WeakPolarHBondContact OG1-CG 3.42Å; T46-L50 PolarHBondContact O-N 3.09Å
47S87.5Confident90.7Very high72 Ų7257.4 Ų57.450%0.50329%0.293SS..THydrogen-bonded Turntrans-58.2-31.8179.5-52.30000112.8L50 N51S47-L50 PolarHBondContact O-N 3Å; S47-N51 PolarHBondContact O-N 3.05Å
48E87.4Confident90.9Very high169 Ų16951.3 Ų51.379%0.7927%0.266SS*.THydrogen-bonded Turntrans-66.1-40.5177.6-63177.5-179.100112.2T46 L50 N51T46-E48 PolarHBondContact O-N 3.24Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 3.5Å; E48-N51 VanDerWaalsContact O-CB 3.26Å; E48-N51 WeakPolarHBondContact O-CB 3.3Å; E48-N51 PolarHBondContact O-N 3.35Å
49K87.4Confident91.1Very high80 Ų8050.1 Ų50.135%0.34826%0.261SS..THydrogen-bonded Turntrans-72.7-24.9179.3-72.9179.8174.9-177.50113.1L41 D43 T46 N51 V53L41-K49 HydrophobicContact CD1-CD 3.71Å; D43-K49 VanDerWaalsContact CB-NZ 3.33Å; D43-K49 IonicContact OD2-NZ 2.8Å; D43-K49 PolarHBondContact OD2-NZ 3.27Å; T46-K49 PolarHBondContact O-N 3.26Å; T46-K49 VanDerWaalsContact O-N 3.1Å; T46-K49 WeakPolarHBondContact OG1-CG 3.42Å; K49-N51 VanDerWaalsContact C-N 3.28Å; K49-V53 WeakPolarHBondContact O-CG2 3.27Å
50L87.2Confident91.2Very high7 Ų746.1 Ų46.14%0.03724%0.242CC..THydrogen-bonded Turntrans-83.7-5.8173.4-65.5179.9000112.5I45 T46 S47 E48 V53 W56 I72 L73 Y76I45-L50 HydrophobicContact CG2-CD1 3.76Å; I45-L50 HydrophobicContact CG2-CG 4.26Å; T46-L50 PolarHBondContact O-N 3.09Å; S47-L50 PolarHBondContact O-N 3Å; E48-L50 VanDerWaalsContact C-N 3.3Å; E48-L50 PolarHBondContact O-N 3.5Å; L50-V53 WeakPolarHBondContact O-CB 3.32Å; L50-V53 PolarHBondContact O-N 3.29Å; L50-W56 HydrophobicContact CD2-CB 4.44Å; L50-W56 HydrophobicContact CD2-CG 4.35Å; L50-I72 HydrophobicContact CD1-CG2 3.85Å; L50-L73 HydrophobicContact CD1-CD2 4.44Å; L50-Y76 HydrophobicContact CB-CD2 3.81Å; L50-Y76 HydrophobicContact CB-CE2 4.14Å; L50-Y76 HydrophobicContact CB-CG 4.44Å; L50-Y76 HydrophobicContact CD1-CD1 4.44Å; L50-Y76 HydrophobicContact CD1-CD2 4.12Å; L50-Y76 HydrophobicContact CD1-CG 3.91Å; L50-Y76 HydrophobicContact CG-CD2 4.46Å
51N86.3Confident91.4Very high103 Ų10344.2 Ų44.255%0.55123%0.229SC*.THydrogen-bonded Turntrans-70135.1176.6-160.212.1000111S47 E48 K49 V53S47-N51 PolarHBondContact O-N 3.05Å; E48-N51 VanDerWaalsContact O-CB 3.26Å; E48-N51 WeakPolarHBondContact O-CB 3.3Å; E48-N51 PolarHBondContact O-N 3.35Å; K49-N51 VanDerWaalsContact C-N 3.28Å; N51-V53 PolarHBondContact O-N 2.76Å
52G84.6Confident91.5Very high25 Ų2549.5 Ų49.526%0.25825%0.247SC..THydrogen-bonded Turntrans72.70.4-173.600000115.6R6R6-G52 WeakPolarHBondContact CA-O 3.38Å
53V92.1Very high91.7Very high2 Ų245.8 Ų45.81%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-84.7129.9174.8-178.20000109.4R6 V10 K49 L50 N51 L55 Y76R6-V53 WeakPolarHBondContact CD-O 3.38Å; V10-V53 HydrophobicContact CB-CG1 3.95Å; V10-V53 HydrophobicContact CG2-CB 4.25Å; V10-V53 HydrophobicContact CG2-CG1 3.64Å; V10-V53 HydrophobicContact CG2-CG2 3.51Å; K49-V53 WeakPolarHBondContact O-CG2 3.27Å; L50-V53 WeakPolarHBondContact O-CB 3.32Å; L50-V53 PolarHBondContact O-N 3.29Å; N51-V53 PolarHBondContact O-N 2.76Å; V53-L55 WeakPolarHBondContact CG1-O 3.31Å; V53-Y76 HydrophobicContact CB-CE2 4.46Å; V53-Y76 PolarHBondContact O-OH 3.06Å
54K92.3Very high92Very high44 Ų4446.7 Ų46.719%0.19123%0.231CC..EExtended strand (participates in β ladder)trans-84.9-46.5176.1-177.954.8173144.10111.1R6 T8 W36 Y76 D82 T241R6-K54 HydrophobicContact CB-CB 3.84Å; R6-K54 HydrophobicContact CB-CD 4.19Å; T8-K54 PolarHBondContact O-N 2.86Å; W36-K54 HydrophobicContact CE3-CB 4.48Å; W36-K54 HydrophobicContact CH2-CG 3.94Å; W36-K54 HydrophobicContact CZ3-CB 3.86Å; W36-K54 HydrophobicContact CZ3-CG 3.78Å; K54-Y76 VanDerWaalsContact C-OH 3.24Å; K54-Y76 PolarHBondContact O-OH 2.87Å; K54-Y76 VanDerWaalsContact O-OH 3.05Å; K54-D82 WeakPolarHBondContact CD-OD2 3.45Å; K54-D82 WeakPolarHBondContact CE-OD2 3.44Å; K54-D82 IonicContact NZ-OD2 2.76Å; K54-D82 PolarHBondContact NZ-OD2 3.43Å; K54-D82 WeakPolarHBondContact O-CB 3.33Å; K54-D82 PolarHBondContact O-N 2.94Å; K54-T241 WeakPolarHBondContact CE-O 3.49Å
55L94.8Very high92.3Very high0 Ų041.7 Ų41.70%021%0.208CC..EExtended strand (participates in β ladder)trans-134.1126.9-175.2174.661.4000110.5I9 V10 V53 I57 Y76 D82 L84 F237 L240 T241I9-L55 WeakPolarHBondContact CA-O 2.95Å; I9-L55 HydrophobicContact CD1-CD2 4.43Å; I9-L55 HydrophobicContact CG1-CB 4.22Å; I9-L55 HydrophobicContact CG2-CB 4.38Å; I9-L55 HydrophobicContact CG2-CD2 4.35Å; I9-L55 HydrophobicContact CG2-CG 4.4Å; V10-L55 PolarHBondContact N-O 2.74Å; V53-L55 WeakPolarHBondContact CG1-O 3.31Å; L55-I57 HydrophobicContact CD1-CG1 4.4Å; L55-I57 HydrophobicContact CD2-CD1 3.94Å; L55-I57 HydrophobicContact CD2-CG1 4.04Å; L55-I57 HydrophobicContact CG-CD1 4.22Å; L55-I57 HydrophobicContact CG-CG1 3.81Å; L55-Y76 PolarHBondContact N-OH 2.86Å; L55-D82 CarbonylContact C-O 3.56Å; L55-D82 WeakPolarHBondContact CA-O 3.37Å; L55-D82 HydrophobicContact CB-CB 4.48Å; L55-D82 HydrophobicContact CD1-CB 3.9Å; L55-D82 WeakPolarHBondContact CD1-O 3.36Å; L55-L84 HydrophobicContact CD1-CB 4.05Å; L55-F237 HydrophobicContact CD2-CD1 3.89Å; L55-F237 HydrophobicContact CD2-CE1 3.49Å; L55-F237 VanDerWaalsContact CD2-CE1 3.49Å; L55-F237 HydrophobicContact CD2-CZ 4.26Å; L55-L240 HydrophobicContact CD1-CB 4.4Å; L55-L240 HydrophobicContact CD1-CD1 3.88Å; L55-L240 HydrophobicContact CD1-CD2 4.35Å; L55-L240 HydrophobicContact CD1-CG 4.45Å; L55-L240 HydrophobicContact CD2-CB 4.46Å; L55-L240 HydrophobicContact CD2-CD1 4.08Å; L55-T241 HydrophobicContact CD2-CG2 4.49Å
56W95.9Very high92.5Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-103.2132.3169.6177.783000109.9N12 I45 L50 T58 F65 L73 Y76 D82 V83 L84N12-W56 HydrophobicContact CB-CZ2 3.86Å; I45-W56 HydrophobicContact CD1-CZ2 3.72Å; L50-W56 HydrophobicContact CD2-CB 4.44Å; L50-W56 HydrophobicContact CD2-CG 4.35Å; W56-T58 HydrophobicContact CH2-CG2 3.59Å; W56-T58 HydrophobicContact CZ2-CG2 4.4Å; W56-T58 HydrophobicContact CZ3-CG2 3.79Å; W56-F65 HydrophobicContact CH2-CE1 4.26Å; W56-F65 HydrophobicContact CH2-CZ 4.3Å; W56-F65 HydrophobicContact CZ2-CE1 4.4Å; W56-L73 HydrophobicContact CD2-CD2 3.94Å; W56-L73 HydrophobicContact CE3-CD2 3.77Å; W56-L73 HydrophobicContact CH2-CD1 3.9Å; W56-L73 HydrophobicContact CH2-CD2 4.19Å; W56-L73 HydrophobicContact CZ2-CD2 4.34Å; W56-L73 HydrophobicContact CZ3-CD1 4.01Å; W56-L73 HydrophobicContact CZ3-CD2 3.9Å; W56-Y76 HydrophobicContact CB-CE1 4.06Å; W56-D82 PolarHBondContact N-O 3.25Å; W56-V83 HydrophobicContact CE3-CB 4.48Å; W56-V83 HydrophobicContact CE3-CG1 3.69Å; W56-V83 HydrophobicContact CE3-CG2 4.25Å; W56-V83 HydrophobicContact CZ3-CG1 3.9Å; W56-V83 CarbonylContact O-C 3.56Å; W56-V83 WeakPolarHBondContact O-CA 3.29Å; W56-L84 PolarHBondContact O-N 2.83Å
57I96.6Very high92.7Very high1 Ų145.7 Ų45.71%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-124.4128.2-174.3-52.7177.8000109.4I9 V10 F11 N12 M28 L55 L84 M86 F237I9-I57 HydrophobicContact CG2-CD1 3.53Å; I9-I57 HydrophobicContact CG2-CG1 4.16Å; V10-I57 PolarHBondContact O-N 2.8Å; F11-I57 HydrophobicContact CD1-CB 4.19Å; F11-I57 HydrophobicContact CD1-CD1 4.35Å; F11-I57 HydrophobicContact CD1-CG2 4.11Å; F11-I57 HydrophobicContact CD2-CD1 4.39Å; F11-I57 HydrophobicContact CE1-CB 4.39Å; F11-I57 HydrophobicContact CE1-CD1 3.84Å; F11-I57 HydrophobicContact CE1-CG2 4.1Å; F11-I57 HydrophobicContact CE2-CD1 3.89Å; F11-I57 HydrophobicContact CZ-CD1 3.6Å; N12-I57 WeakPolarHBondContact CB-O 3.28Å; N12-I57 PolarHBondContact N-O 2.68Å; M28-I57 HydrophobicContact CE-CD1 4.48Å; L55-I57 HydrophobicContact CD1-CG1 4.4Å; L55-I57 HydrophobicContact CD2-CD1 3.94Å; L55-I57 HydrophobicContact CD2-CG1 4.04Å; L55-I57 HydrophobicContact CG-CD1 4.22Å; L55-I57 HydrophobicContact CG-CG1 3.81Å; I57-L84 WeakPolarHBondContact CA-O 3.48Å; I57-L84 HydrophobicContact CD1-CD2 4.43Å; I57-L84 HydrophobicContact CG1-CB 4.19Å; I57-L84 HydrophobicContact CG1-CD2 4.41Å; I57-L84 HydrophobicContact CG2-CB 4.4Å; I57-L84 HydrophobicContact CG2-CD2 4.13Å; I57-L84 HydrophobicContact CG2-CG 4.33Å; I57-M86 HydrophobicContact CG2-CE 3.77Å; I57-F237 HydrophobicContact CD1-CE1 3.86Å; I57-F237 HydrophobicContact CD1-CZ 3.76Å
58T96.2Very high93.1Very high0 Ų045.1 Ų45.10%024%0.24CC..EExtended strand (participates in β ladder)trans-118.9130.8165.8-174.90000109.9E17 W56 P61 L84 V85 M86E17-T58 PolarHBondContact OE1-OG1 3.46Å; E17-T58 VanDerWaalsContact OE1-OG1 3.1Å; W56-T58 HydrophobicContact CH2-CG2 3.59Å; W56-T58 HydrophobicContact CZ2-CG2 4.4Å; W56-T58 HydrophobicContact CZ3-CG2 3.79Å; T58-P61 HydrophobicContact CG2-CG 4.46Å; T58-L84 PolarHBondContact N-O 3.42Å; T58-V85 HydrophobicContact CG2-CB 4.19Å; T58-V85 HydrophobicContact CG2-CG1 4Å; T58-V85 HydrophobicContact CG2-CG2 3.95Å; T58-M86 PolarHBondContact O-N 2.99Å
59A95.8Very high93.4Very high2 Ų237.2 Ų37.22%0.01720%0.203CC..EExtended strand (participates in β ladder)trans-125.487.4-170.100000111.3E17 I18 F19 Y25 M86E17-A59 WeakPolarHBondContact CB-O 3.4Å; I18-A59 PolarHBondContact N-O 2.58Å; F19-A59 HydrophobicContact CB-CB 4.08Å; F19-A59 PolarHBondContact N-O 3.46Å; Y25-A59 HydrophobicContact CE2-CB 3.44Å; Y25-A59 VanDerWaalsContact CE2-CB 3.44Å; A59-M86 HydrophobicContact CB-CE 3.72Å
60G94.8Very high93.8Very high0 Ų034.2 Ų34.20%019%0.19CC..SBendtrans68.960.3-17700000112.1E17 I18 M86 F95E17-G60 WeakPolarHBondContact CA-O 3.45Å; I18-G60 PolarHBondContact N-O 2.84Å; G60-M86 WeakPolarHBondContact CA-O 3.29Å; G60-M86 PolarHBondContact N-O 3.4Å; G60-F95 VanDerWaalsContact CA-CE1 3.45Å
61P96.3Very high94.1Very high0 Ų038.2 Ų38.20%021%0.209CC..  trans-60.7137.3176.226.8-32.8000110K15 T58 F65 T97K15-P61 HydrophobicContact CB-CB 4.11Å; T58-P61 HydrophobicContact CG2-CG 4.46Å; P61-F65 HydrophobicContact CB-CE2 3.87Å; P61-F65 HydrophobicContact CB-CZ 4.14Å; P61-F65 HydrophobicContact CG-CE2 4.11Å; P61-T97 HydrophobicContact CG-CG2 4.33Å
62R95.4Very high94.5Very high125 Ų12534.8 Ų34.847%0.47219%0.19SC..  trans-120.218.5-178-66.1-176.4-65.6171.2-0.8114K15 K16 I18 F95K15-R62 PolarHBondContact O-N 2.81Å; K16-R62 HydrophobicContact CB-CB 4.33Å; K16-R62 PolarHBondContact O-NE 3.11Å; K16-R62 PolarHBondContact O-NH2 3.46Å; I18-R62 HydrophobicContact CG1-CG 4.26Å; R62-F95 CarbonylContact C-O 3.48Å; R62-F95 WeakPolarHBondContact CA-O 3.46Å; R62-F95 HydrophobicContact CG-CD1 3.97Å
63E95.3Very high94.9Very high63 Ų6333.8 Ų33.829%0.29418%0.178SC..SBendtrans-135.4158.1172.1-72.6-171.4161.800109.5K15 K16 T97K15-E63 HydrophobicContact CB-CB 4.26Å; K15-E63 HydrophobicContact CD-CB 3.94Å; K15-E63 PolarHBondContact O-N 2.98Å; K16-E63 HydrophobicContact CB-CG 4.39Å; K16-E63 HydrophobicContact CD-CG 4.01Å; K16-E63 VanDerWaalsContact CD-OE1 3.23Å; K16-E63 WeakPolarHBondContact CD-OE1 3.48Å; K16-E63 WeakPolarHBondContact CE-OE1 3.29Å; K16-E63 HydrophobicContact CG-CG 4.22Å; K16-E63 IonicContact NZ-OE1 2.61Å; K16-E63 PolarHBondContact NZ-OE1 3.47Å; E63-T97 PolarHBondContact O-OG1 2.97Å
64K95.3Very high95Very high121 Ų12135 Ų3553%0.52618%0.184SC..PPolyproline II helixtrans-77.7140.5179.1-63.8177.1-175.3170.40110.6K15 D96 N98K15-K64 WeakPolarHBondContact CE-O 3.29Å; K15-K64 PolarHBondContact NZ-O 2.94Å; K64-D96 WeakPolarHBondContact CE-OD1 3.44Å; K64-D96 IonicContact NZ-OD1 3.14Å; K64-D96 PolarHBondContact NZ-OD1 3.32Å; K64-N98 VanDerWaalsContact CA-OD1 3.31Å; K64-N98 WeakPolarHBondContact CA-OD1 3.3Å; K64-N98 HydrophobicContact CG-CB 4.29Å
65F96.1Very high94.9Very high7 Ų738.9 Ų38.93%0.03120%0.2CC..PPolyproline II helixtrans-84.2146.2169.2-66-95.5000110.7K15 I45 W56 P61 E69 F70 N98 I99K15-F65 HydrophobicContact CB-CZ 4.34Å; K15-F65 HydrophobicContact CD-CD1 4.46Å; K15-F65 HydrophobicContact CD-CE1 4.4Å; K15-F65 HydrophobicContact CG-CD1 4.28Å; K15-F65 HydrophobicContact CG-CE1 3.74Å; K15-F65 HydrophobicContact CG-CE2 4.25Å; K15-F65 HydrophobicContact CG-CZ 3.72Å; I45-F65 HydrophobicContact CD1-CE1 4.26Å; W56-F65 HydrophobicContact CH2-CE1 4.26Å; W56-F65 HydrophobicContact CH2-CZ 4.3Å; W56-F65 HydrophobicContact CZ2-CE1 4.4Å; P61-F65 HydrophobicContact CB-CE2 3.87Å; P61-F65 HydrophobicContact CB-CZ 4.14Å; P61-F65 HydrophobicContact CG-CE2 4.11Å; F65-E69 WeakPolarHBondContact CA-OE2 3.15Å; F65-E69 HydrophobicContact CD1-CB 4.28Å; F65-F70 HydrophobicContact CB-CD1 4.1Å; F65-F70 HydrophobicContact CB-CE1 3.47Å; F65-F70 VanDerWaalsContact CB-CE1 3.47Å; F65-F70 HydrophobicContact CB-CE2 3.96Å; F65-F70 HydrophobicContact CB-CZ 3.4Å; F65-F70 VanDerWaalsContact CB-CZ 3.4Å; F65-F70 HydrophobicContact CD2-CE1 4.21Å; F65-F70 HydrophobicContact CD2-CZ 4.37Å; F65-F70 AromaticContact CG-CE1 3.86Å; F65-F70 HydrophobicContact CG-CE1 3.86Å; F65-F70 HydrophobicContact CG-CZ 4.14Å; F65-N98 PolarHBondContact N-OD1 2.65Å; F65-N98 PolarHBondContact O-ND2 3.28Å; F65-I99 HydrophobicContact CD2-CD1 4.23Å; F65-I99 HydrophobicContact CE2-CD1 3.94Å; F65-I99 HydrophobicContact CZ-CD1 4.35Å
66T95.6Very high94.8Very high62 Ų6239.6 Ų39.638%0.3820%0.203SC..PPolyproline II helixtrans-84.7159.1173.571.30000110A68 E69 F70T66-A68 PolarHBondContact O-N 2.97Å; T66-E69 PolarHBondContact N-OE2 3.05Å; T66-E69 PolarHBondContact O-N 2.62Å; T66-E69 VanDerWaalsContact O-N 3.14Å; T66-E69 WeakPolarHBondContact OG1-CG 3.47Å; T66-E69 PolarHBondContact OG1-N 3.19Å; T66-E69 PolarHBondContact OG1-OE2 3.25Å; T66-F70 PolarHBondContact O-N 3.07Å; T66-F70 VanDerWaalsContact O-N 3.17Å
67A94.6Very high94.6Very high77 Ų7739.8 Ų39.864%0.63620%0.204SC*.Hα-helixtrans-58.6-34.9175.200000112.2E69 F70 E71A67-E69 PolarHBondContact O-N 3.21Å; A67-F70 PolarHBondContact O-N 2.99Å; A67-E71 WeakPolarHBondContact O-CG 3.32Å; A67-E71 PolarHBondContact O-N 3.26Å
68A94.5Very high94.3Very high59 Ų5942.8 Ų42.849%0.48822%0.22SC..Hα-helixtrans-63.7-40.8176.900000112.1T66 E71 I72T66-A68 PolarHBondContact O-N 2.97Å; A68-E71 PolarHBondContact O-N 2.88Å; A68-I72 WeakPolarHBondContact O-CD1 3.43Å; A68-I72 VanDerWaalsContact O-CG1 3.29Å; A68-I72 WeakPolarHBondContact O-CG1 3.43Å; A68-I72 PolarHBondContact O-N 2.8Å; A68-I72 VanDerWaalsContact O-N 3.07Å
69E94.6Very high93.9Very high4 Ų446.5 Ų46.52%0.01925%0.246CC..Hα-helixtrans-64.7-41.2176.6-68.7168143.800111.5Y14 K15 F65 T66 A67 I72 L73Y14-E69 WeakPolarHBondContact CE2-OE1 3.44Å; Y14-E69 VanDerWaalsContact CZ-OE1 3.26Å; Y14-E69 PolarHBondContact OH-OE1 3.18Å; K15-E69 VanDerWaalsContact CE-OE1 3.3Å; K15-E69 WeakPolarHBondContact CE-OE1 3.49Å; K15-E69 WeakPolarHBondContact CE-OE2 3.32Å; K15-E69 VanDerWaalsContact NZ-CD 3.28Å; K15-E69 IonicContact NZ-OE1 3.37Å; K15-E69 PolarHBondContact NZ-OE1 3.01Å; K15-E69 IonicContact NZ-OE2 3.42Å; K15-E69 PolarHBondContact NZ-OE2 3.37Å; F65-E69 WeakPolarHBondContact CA-OE2 3.15Å; F65-E69 HydrophobicContact CD1-CB 4.28Å; T66-E69 PolarHBondContact N-OE2 3.05Å; T66-E69 PolarHBondContact O-N 2.62Å; T66-E69 VanDerWaalsContact O-N 3.14Å; T66-E69 WeakPolarHBondContact OG1-CG 3.47Å; T66-E69 PolarHBondContact OG1-N 3.19Å; T66-E69 PolarHBondContact OG1-OE2 3.25Å; A67-E69 PolarHBondContact O-N 3.21Å; E69-I72 PolarHBondContact O-N 3.09Å; E69-L73 WeakPolarHBondContact O-CG 3.37Å; E69-L73 PolarHBondContact O-N 3.15Å
70F95.2Very high93.6Very high17 Ų1747.1 Ų47.18%0.07525%0.253CS..Hα-helixtrans-62.7-43.9174.9-68.9-40.8000112.4F65 T66 A67 I72 L73 K74 N98 I99 F101 L102F65-F70 HydrophobicContact CB-CD1 4.1Å; F65-F70 HydrophobicContact CB-CE1 3.47Å; F65-F70 VanDerWaalsContact CB-CE1 3.47Å; F65-F70 HydrophobicContact CB-CE2 3.96Å; F65-F70 HydrophobicContact CB-CZ 3.4Å; F65-F70 VanDerWaalsContact CB-CZ 3.4Å; F65-F70 HydrophobicContact CD2-CE1 4.21Å; F65-F70 HydrophobicContact CD2-CZ 4.37Å; F65-F70 AromaticContact CG-CE1 3.86Å; F65-F70 HydrophobicContact CG-CE1 3.86Å; F65-F70 HydrophobicContact CG-CZ 4.14Å; T66-F70 PolarHBondContact O-N 3.07Å; T66-F70 VanDerWaalsContact O-N 3.17Å; A67-F70 PolarHBondContact O-N 2.99Å; F70-I72 VanDerWaalsContact C-N 3.26Å; F70-I72 PolarHBondContact O-N 3.47Å; F70-L73 PolarHBondContact O-N 2.99Å; F70-L73 VanDerWaalsContact O-N 3.15Å; F70-K74 VanDerWaalsContact O-CG 3.28Å; F70-K74 WeakPolarHBondContact O-CG 3.4Å; F70-K74 PolarHBondContact O-N 3.27Å; F70-N98 VanDerWaalsContact CZ-O 3.23Å; F70-N98 WeakPolarHBondContact CZ-O 3.24Å; F70-I99 HydrophobicContact CE1-CD1 4.17Å; F70-F101 HydrophobicContact CE2-CB 3.95Å; F70-F101 HydrophobicContact CZ-CB 4.27Å; F70-L102 HydrophobicContact CD1-CB 3.67Å; F70-L102 HydrophobicContact CD1-CD1 4.36Å; F70-L102 HydrophobicContact CD1-CD2 4.18Å; F70-L102 HydrophobicContact CD1-CG 4.29Å; F70-L102 HydrophobicContact CE1-CB 3.73Å; F70-L102 HydrophobicContact CG-CB 4.44Å
71E94.1Very high93.4Very high91 Ų9147.1 Ų47.143%0.42525%0.253SS..Hα-helixtrans-61.2-35176.2-72.5-58.7127.300112.5A67 A68 K74 K75A67-E71 WeakPolarHBondContact O-CG 3.32Å; A67-E71 PolarHBondContact O-N 3.26Å; A68-E71 PolarHBondContact O-N 2.88Å; E71-K74 IonicContact OE1-NZ 2.86Å; E71-K74 PolarHBondContact OE1-NZ 2.81Å; E71-K75 WeakPolarHBondContact O-CB 3.36Å; E71-K75 VanDerWaalsContact O-CG 3.26Å; E71-K75 WeakPolarHBondContact O-CG 3.32Å; E71-K75 PolarHBondContact O-N 2.92Å; E71-K75 VanDerWaalsContact O-N 3.09Å
72I94.3Very high93.3Very high31 Ų3147.1 Ų47.116%0.15925%0.253CS..Hα-helixtrans-68.1-44174.5-65.9162000110.9I45 L50 A68 E69 F70 K75 Y76I45-I72 HydrophobicContact CG2-CB 4.4Å; I45-I72 HydrophobicContact CG2-CG2 3.75Å; I45-I72 WeakPolarHBondContact O-CD1 3.37Å; L50-I72 HydrophobicContact CD1-CG2 3.85Å; A68-I72 WeakPolarHBondContact O-CD1 3.43Å; A68-I72 VanDerWaalsContact O-CG1 3.29Å; A68-I72 WeakPolarHBondContact O-CG1 3.43Å; A68-I72 PolarHBondContact O-N 2.8Å; A68-I72 VanDerWaalsContact O-N 3.07Å; E69-I72 PolarHBondContact O-N 3.09Å; F70-I72 VanDerWaalsContact C-N 3.26Å; F70-I72 PolarHBondContact O-N 3.47Å; I72-K75 PolarHBondContact O-N 2.79Å; I72-Y76 WeakPolarHBondContact O-CB 3.45Å; I72-Y76 PolarHBondContact O-N 3.4Å
73L93.9Very high93.3Very high3 Ų341.4 Ų41.42%0.01623%0.232CC..Hα-helixtrans-65.1-39.7178.7-72.2173.4000112.4I45 L50 W56 E69 F70 Y76 L77 L102I45-L73 HydrophobicContact CD1-CD1 4.45Å; I45-L73 HydrophobicContact CD1-CD2 4.38Å; L50-L73 HydrophobicContact CD1-CD2 4.44Å; W56-L73 HydrophobicContact CD2-CD2 3.94Å; W56-L73 HydrophobicContact CE3-CD2 3.77Å; W56-L73 HydrophobicContact CH2-CD1 3.9Å; W56-L73 HydrophobicContact CH2-CD2 4.19Å; W56-L73 HydrophobicContact CZ2-CD2 4.34Å; W56-L73 HydrophobicContact CZ3-CD1 4.01Å; W56-L73 HydrophobicContact CZ3-CD2 3.9Å; E69-L73 WeakPolarHBondContact O-CG 3.37Å; E69-L73 PolarHBondContact O-N 3.15Å; F70-L73 PolarHBondContact O-N 2.99Å; F70-L73 VanDerWaalsContact O-N 3.15Å; L73-Y76 WeakPolarHBondContact O-CB 3.33Å; L73-Y76 PolarHBondContact O-N 2.82Å; L73-L77 PolarHBondContact O-N 3.33Å; L73-L102 HydrophobicContact CB-CD2 4.19Å; L73-L102 HydrophobicContact CD1-CD2 3.89Å
74K92.8Very high93.4Very high29 Ų2938.4 Ų38.413%0.12622%0.218CC..Hα-helixtrans-60.7-51.7173.5-67.9174.4-167.1-173.60111F70 E71 Y76 L77 D78 L102 E105F70-K74 VanDerWaalsContact O-CG 3.28Å; F70-K74 WeakPolarHBondContact O-CG 3.4Å; F70-K74 PolarHBondContact O-N 3.27Å; E71-K74 IonicContact OE1-NZ 2.86Å; E71-K74 PolarHBondContact OE1-NZ 2.81Å; K74-Y76 PolarHBondContact O-N 3.4Å; K74-L77 PolarHBondContact O-N 2.83Å; K74-L77 VanDerWaalsContact O-N 3.13Å; K74-D78 WeakPolarHBondContact O-CB 3.49Å; K74-D78 PolarHBondContact O-N 2.89Å; K74-L102 HydrophobicContact CG-CD1 3.71Å; K74-E105 VanDerWaalsContact CE-CD 3.45Å; K74-E105 VanDerWaalsContact CE-OE1 3.31Å; K74-E105 WeakPolarHBondContact CE-OE1 3.06Å; K74-E105 WeakPolarHBondContact CE-OE2 3.47Å; K74-E105 IonicContact NZ-OE1 3.13Å; K74-E105 PolarHBondContact NZ-OE1 3.5Å; K74-E105 IonicContact NZ-OE2 2.65Å; K74-E105 PolarHBondContact NZ-OE2 3.3Å
75K92Very high93.5Very high124 Ų12432.7 Ų32.754%0.53919%0.193SC..Hα-helixtrans-57.9-36.4175.6-73.5174.2-174.1176.40112.5E71 I72 S79E71-K75 WeakPolarHBondContact O-CB 3.36Å; E71-K75 VanDerWaalsContact O-CG 3.26Å; E71-K75 WeakPolarHBondContact O-CG 3.32Å; E71-K75 PolarHBondContact O-N 2.92Å; E71-K75 VanDerWaalsContact O-N 3.09Å; I72-K75 PolarHBondContact O-N 2.79Å; K75-S79 VanDerWaalsContact O-CB 3.27Å; K75-S79 WeakPolarHBondContact O-CB 3.47Å; K75-S79 PolarHBondContact O-N 3.26Å; K75-S79 PolarHBondContact O-OG 3.1Å
76Y92.7Very high93.6Very high15 Ų1532.3 Ų32.36%0.05919%0.191CC..Hα-helixtrans-67.1-45.1176.9170.4-105.1000111.9L50 V53 K54 L55 W56 I72 L73 K74 S79 G81 D82 V83L50-Y76 HydrophobicContact CB-CD2 3.81Å; L50-Y76 HydrophobicContact CB-CE2 4.14Å; L50-Y76 HydrophobicContact CB-CG 4.44Å; L50-Y76 HydrophobicContact CD1-CD1 4.44Å; L50-Y76 HydrophobicContact CD1-CD2 4.12Å; L50-Y76 HydrophobicContact CD1-CG 3.91Å; L50-Y76 HydrophobicContact CG-CD2 4.46Å; V53-Y76 HydrophobicContact CB-CE2 4.46Å; V53-Y76 PolarHBondContact O-OH 3.06Å; K54-Y76 VanDerWaalsContact C-OH 3.24Å; K54-Y76 PolarHBondContact O-OH 2.87Å; K54-Y76 VanDerWaalsContact O-OH 3.05Å; L55-Y76 PolarHBondContact N-OH 2.86Å; W56-Y76 HydrophobicContact CB-CE1 4.06Å; I72-Y76 WeakPolarHBondContact O-CB 3.45Å; I72-Y76 PolarHBondContact O-N 3.4Å; L73-Y76 WeakPolarHBondContact O-CB 3.33Å; L73-Y76 PolarHBondContact O-N 2.82Å; K74-Y76 PolarHBondContact O-N 3.4Å; Y76-S79 PolarHBondContact O-N 3.44Å; Y76-G81 WeakPolarHBondContact O-CA 3.45Å; Y76-G81 PolarHBondContact O-N 3.35Å; Y76-D82 WeakPolarHBondContact CE1-O 3.39Å; Y76-D82 PolarHBondContact OH-O 2.9Å; Y76-V83 HydrophobicContact CD1-CG2 3.92Å; Y76-V83 HydrophobicContact CE1-CG2 3.86Å
77L91.6Very high93.6Very high4 Ų429.4 Ų29.42%0.02117%0.173CC..Hα-helixtrans-62.7-44174.9-168.772.8000111.2L73 K74 S79 G80 G81 V83 Y106 Y201 G208 K209 L210L73-L77 PolarHBondContact O-N 3.33Å; K74-L77 PolarHBondContact O-N 2.83Å; K74-L77 VanDerWaalsContact O-N 3.13Å; L77-S79 PolarHBondContact O-N 3.02Å; L77-G80 WeakPolarHBondContact O-CA 3.29Å; L77-G80 PolarHBondContact O-N 3.09Å; L77-G81 WeakPolarHBondContact CD1-O 3.48Å; L77-V83 HydrophobicContact CD1-CG2 4.29Å; L77-Y106 HydrophobicContact CD2-CD1 4.1Å; L77-Y106 HydrophobicContact CD2-CE1 3.4Å; L77-Y106 HydrophobicContact CD2-CE2 4.01Å; L77-Y106 WeakPolarHBondContact CD2-OH 3.39Å; L77-Y201 HydrophobicContact CD2-CD1 4.21Å; L77-Y201 HydrophobicContact CD2-CE1 3.94Å; L77-G208 WeakPolarHBondContact O-CA 3.44Å; L77-K209 WeakPolarHBondContact CD1-O 3.45Å; L77-L210 HydrophobicContact CD1-CB 4.16Å; L77-L210 HydrophobicContact CD2-CB 4.37Å
78D90Very high93.6Very high65 Ų6525.7 Ų25.735%0.34814%0.143SC..Hα-helixtrans-65.3-25.2175.3-73.3-12000112.8K74 G80 Q206K74-D78 WeakPolarHBondContact O-CB 3.49Å; K74-D78 PolarHBondContact O-N 2.89Å; D78-G80 PolarHBondContact O-N 2.96Å; D78-Q206 WeakPolarHBondContact O-CB 3.38Å; D78-Q206 WeakPolarHBondContact O-CG 3.31Å; D78-Q206 PolarHBondContact O-OE1 3.37Å; D78-Q206 PolarHBondContact OD1-OE1 2.79Å
79S87.9Confident93.7Very high77 Ų7723.7 Ų23.754%0.53812%0.124SC..THydrogen-bonded Turntrans-82.112.3172.4-58.70000112.7R6 K75 Y76 L77 G81R6-S79 PolarHBondContact NH1-O 3.48Å; R6-S79 PolarHBondContact NH2-O 3.15Å; K75-S79 VanDerWaalsContact O-CB 3.27Å; K75-S79 WeakPolarHBondContact O-CB 3.47Å; K75-S79 PolarHBondContact O-N 3.26Å; K75-S79 PolarHBondContact O-OG 3.1Å; Y76-S79 PolarHBondContact O-N 3.44Å; L77-S79 PolarHBondContact O-N 3.02Å; S79-G81 VanDerWaalsContact C-N 3.33Å
80G87.9Confident93.6Very high15 Ų1524.3 Ų24.316%0.15513%0.13CC..THydrogen-bonded Turntrans75.718.8-178.100000114.1R6 L77 D78R6-G80 PolarHBondContact NH1-O 3.06Å; R6-G80 VanDerWaalsContact NH1-O 3.11Å; L77-G80 WeakPolarHBondContact O-CA 3.29Å; L77-G80 PolarHBondContact O-N 3.09Å; D78-G80 PolarHBondContact O-N 2.96Å
81G90.9Very high93.6Very high0 Ų023.5 Ų23.50%013%0.127CC..  trans-73.4154.417000000110.8R6 Y76 L77 S79R6-G81 VanDerWaalsContact NH1-N 3.14Å; Y76-G81 WeakPolarHBondContact O-CA 3.45Å; Y76-G81 PolarHBondContact O-N 3.35Å; L77-G81 WeakPolarHBondContact CD1-O 3.48Å; S79-G81 VanDerWaalsContact C-N 3.33Å
82D94.9Very high93.5Very high1 Ų120.5 Ų20.51%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-109144.3178.4-51.3-56.5000110.7K54 L55 W56 Y76 K209 L240K54-D82 WeakPolarHBondContact CD-OD2 3.45Å; K54-D82 WeakPolarHBondContact CE-OD2 3.44Å; K54-D82 IonicContact NZ-OD2 2.76Å; K54-D82 PolarHBondContact NZ-OD2 3.43Å; K54-D82 WeakPolarHBondContact O-CB 3.33Å; K54-D82 PolarHBondContact O-N 2.94Å; L55-D82 CarbonylContact C-O 3.56Å; L55-D82 WeakPolarHBondContact CA-O 3.37Å; L55-D82 HydrophobicContact CB-CB 4.48Å; L55-D82 HydrophobicContact CD1-CB 3.9Å; L55-D82 WeakPolarHBondContact CD1-O 3.36Å; W56-D82 PolarHBondContact N-O 3.25Å; Y76-D82 WeakPolarHBondContact CE1-O 3.39Å; Y76-D82 PolarHBondContact OH-O 2.9Å; D82-K209 CarbonylContact C-O 3.56Å; D82-K209 VanDerWaalsContact CA-O 3.26Å; D82-K209 WeakPolarHBondContact CA-O 3.38Å; D82-K209 HydrophobicContact CB-CB 4.46Å; D82-K209 VanDerWaalsContact OD1-CB 3.3Å; D82-K209 WeakPolarHBondContact OD1-CB 3.34Å; D82-K209 PolarHBondContact OD1-N 2.8Å; D82-L240 HydrophobicContact CB-CB 4.48Å; D82-L240 HydrophobicContact CB-CD2 4.19Å; D82-L240 VanDerWaalsContact CG-O 3.25Å
83V96.1Very high93.4Very high5 Ų523.5 Ų23.53%0.0314%0.137CC..EExtended strand (participates in β ladder)trans-129.8131.9-176.6172.80000110.3W56 Y76 L77 V85 K209 L210 A211W56-V83 HydrophobicContact CE3-CB 4.48Å; W56-V83 HydrophobicContact CE3-CG1 3.69Å; W56-V83 HydrophobicContact CE3-CG2 4.25Å; W56-V83 HydrophobicContact CZ3-CG1 3.9Å; W56-V83 CarbonylContact O-C 3.56Å; W56-V83 WeakPolarHBondContact O-CA 3.29Å; Y76-V83 HydrophobicContact CD1-CG2 3.92Å; Y76-V83 HydrophobicContact CE1-CG2 3.86Å; L77-V83 HydrophobicContact CD1-CG2 4.29Å; V83-V85 HydrophobicContact CG1-CG2 3.78Å; V83-K209 PolarHBondContact N-O 3.04Å; V83-L210 HydrophobicContact CB-CD1 3.83Å; V83-L210 HydrophobicContact CG1-CD1 3.54Å; V83-L210 CarbonylContact O-C 3.59Å; V83-L210 WeakPolarHBondContact O-CA 3Å; V83-A211 PolarHBondContact O-N 3.35Å
84L97.3Very high93.4Very high0 Ų030.5 Ų30.50%016%0.163CC..EExtended strand (participates in β ladder)trans-119.2115.8169.717663.3000109.6L55 W56 I57 T58 M86 A211 V236 F237 L240L55-L84 HydrophobicContact CD1-CB 4.05Å; W56-L84 PolarHBondContact O-N 2.83Å; I57-L84 WeakPolarHBondContact CA-O 3.48Å; I57-L84 HydrophobicContact CD1-CD2 4.43Å; I57-L84 HydrophobicContact CG1-CB 4.19Å; I57-L84 HydrophobicContact CG1-CD2 4.41Å; I57-L84 HydrophobicContact CG2-CB 4.4Å; I57-L84 HydrophobicContact CG2-CD2 4.13Å; I57-L84 HydrophobicContact CG2-CG 4.33Å; T58-L84 PolarHBondContact N-O 3.42Å; L84-M86 HydrophobicContact CD1-CG 4.15Å; L84-M86 HydrophobicContact CD2-CE 4.28Å; L84-M86 HydrophobicContact CD2-CG 4.44Å; L84-M86 HydrophobicContact CD2-SD 4.14Å; L84-M86 HydrophobicContact CG-CG 4.03Å; L84-M86 HydrophobicContact CG-SD 4.38Å; L84-A211 WeakPolarHBondContact CA-O 3.13Å; L84-A211 HydrophobicContact CD1-CB 3.77Å; L84-V236 HydrophobicContact CD1-CG1 4.23Å; L84-F237 HydrophobicContact CD2-CE2 3.97Å; L84-F237 HydrophobicContact CD2-CZ 3.84Å; L84-L240 HydrophobicContact CB-CD1 3.95Å; L84-L240 HydrophobicContact CD1-CD1 4.35Å; L84-L240 HydrophobicContact CD2-CD1 4.42Å; L84-L240 HydrophobicContact CG-CD1 4.47Å
85V97.6Very high93.5Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-107124.9175.3179.30000108.9T58 V83 L87 I99 L103 L210 A211 V212 L213T58-V85 HydrophobicContact CG2-CB 4.19Å; T58-V85 HydrophobicContact CG2-CG1 4Å; T58-V85 HydrophobicContact CG2-CG2 3.95Å; V83-V85 HydrophobicContact CG1-CG2 3.78Å; V85-L87 HydrophobicContact CG1-CD1 3.51Å; V85-I99 HydrophobicContact CG1-CG1 3.83Å; V85-L103 HydrophobicContact CB-CD2 4.38Å; V85-L103 HydrophobicContact CG1-CD1 4.24Å; V85-L103 HydrophobicContact CG2-CD2 4.08Å; V85-L210 HydrophobicContact CG2-CD1 4.23Å; V85-A211 PolarHBondContact N-O 3.28Å; V85-V212 HydrophobicContact CB-CG2 4.43Å; V85-V212 CarbonylContact O-C 3.29Å; V85-V212 VanDerWaalsContact O-CA 3.31Å; V85-V212 WeakPolarHBondContact O-CA 3.07Å; V85-L213 PolarHBondContact O-N 3.14Å
86M97.3Very high93.6Very high0 Ų028.7 Ų28.70%016%0.16CC..EExtended strand (participates in β ladder)trans-122.7127.6174.7-53-176.7-76.800109.9Y25 I57 T58 A59 G60 L84 L213 C216 F219Y25-M86 HydrophobicContact CE2-CE 3.77Å; Y25-M86 VanDerWaalsContact OH-CE 3.26Å; Y25-M86 WeakPolarHBondContact OH-CE 3.35Å; I57-M86 HydrophobicContact CG2-CE 3.77Å; T58-M86 PolarHBondContact O-N 2.99Å; A59-M86 HydrophobicContact CB-CE 3.72Å; G60-M86 WeakPolarHBondContact CA-O 3.29Å; G60-M86 PolarHBondContact N-O 3.4Å; L84-M86 HydrophobicContact CD1-CG 4.15Å; L84-M86 HydrophobicContact CD2-CE 4.28Å; L84-M86 HydrophobicContact CD2-CG 4.44Å; L84-M86 HydrophobicContact CD2-SD 4.14Å; L84-M86 HydrophobicContact CG-CG 4.03Å; L84-M86 HydrophobicContact CG-SD 4.38Å; M86-L213 VanDerWaalsContact CA-O 3.26Å; M86-L213 WeakPolarHBondContact CA-O 3.49Å; M86-L213 HydrophobicContact CG-CB 4.13Å; M86-C216 HydrophobicContact CB-CB 3.98Å; M86-F219 HydrophobicContact SD-CD2 3.7Å; M86-F219 HydrophobicContact SD-CE2 4.19Å
87L96Very high93.7Very high0 Ų028.4 Ų28.40%016%0.16CC..  trans-118-179172.5-89.385.8000109.8V85 E92 T97 I99 V110 L213 G214 S215 C216V85-L87 HydrophobicContact CG1-CD1 3.51Å; L87-E92 HydrophobicContact CD2-CG 4.2Å; L87-T97 HydrophobicContact CD2-CG2 4.13Å; L87-I99 HydrophobicContact CD1-CG2 3.67Å; L87-I99 HydrophobicContact CD2-CG2 3.93Å; L87-I99 HydrophobicContact CG-CG2 4.42Å; L87-V110 HydrophobicContact CB-CG1 4.02Å; L87-V110 HydrophobicContact CB-CG2 4.34Å; L87-V110 HydrophobicContact CD1-CG2 4.24Å; L87-V110 HydrophobicContact CD2-CB 4.43Å; L87-V110 HydrophobicContact CD2-CG1 4.32Å; L87-V110 HydrophobicContact CD2-CG2 4.42Å; L87-L213 PolarHBondContact N-O 3.45Å; L87-G214 CarbonylContact C-O 3.56Å; L87-G214 CarbonylContact O-C 3.51Å; L87-S215 CarbonylContact O-C 3.54Å; L87-S215 VanDerWaalsContact O-C 3.23Å; L87-S215 WeakPolarHBondContact O-CA 3.43Å; L87-S215 PolarHBondContact O-N 3.09Å; L87-S215 VanDerWaalsContact O-N 3.09Å; L87-C216 PolarHBondContact O-N 3.18Å
88G94.9Very high93.9Very high0 Ų029.5 Ų29.50%017%0.166CC..  trans-126.8-170.3174.900000112.1G91 A172 G214G88-G91 PolarHBondContact O-N 2.64Å; G88-A172 WeakPolarHBondContact O-CB 3.29Å; G88-G214 WeakPolarHBondContact CA-O 3.42Å
89E95.4Very high94.2Very high17 Ų1726.4 Ų26.48%0.07915%0.149CC..THydrogen-bonded Turntrans-54.1146.6176.757.9163.1178.500113.6G91 R94 A114 K127 F170E89-G91 PolarHBondContact O-N 2.93Å; E89-R94 WeakPolarHBondContact O-CD 3.13Å; E89-R94 IonicContact OE1-CZ 3.54Å; E89-R94 IonicContact OE1-NH1 2.71Å; E89-R94 PolarHBondContact OE1-NH1 3.45Å; E89-R94 IonicContact OE1-NH2 2.82Å; E89-R94 PolarHBondContact OE1-NH2 2.92Å; E89-R94 IonicContact OE2-NH1 3.4Å; E89-R94 PolarHBondContact OE2-NH1 3.39Å; E89-A114 HydrophobicContact CB-CB 3.91Å; E89-K127 IonicContact OE1-NZ 2.7Å; E89-K127 WeakPolarHBondContact OE2-CD 3.39Å; E89-K127 WeakPolarHBondContact OE2-CE 3.44Å; E89-K127 IonicContact OE2-NZ 3.6Å; E89-K127 PolarHBondContact OE2-NZ 3.18Å; E89-F170 WeakPolarHBondContact CB-O 3.36Å; E89-F170 HydrophobicContact CG-CB 4.09Å; E89-F170 PolarHBondContact N-O 2.92Å
90G92.9Very high94.6Very high16 Ų1622.8 Ų22.817%0.16512%0.124CC..THydrogen-bonded Turntrans75.61.4-17500000113.8S93 R94 N112 D113G90-S93 PolarHBondContact O-N 2.98Å; G90-R94 PolarHBondContact O-N 3.5Å; G90-N112 PolarHBondContact O-OD1 2.91Å; G90-D113 PolarHBondContact N-O 2.99Å
91G94Very high95Very high0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans54.9-144.7172.800000113G88 E89 S93 F95 N111G88-G91 PolarHBondContact O-N 2.64Å; E89-G91 PolarHBondContact O-N 2.93Å; G91-S93 VanDerWaalsContact C-N 3.31Å; G91-S93 PolarHBondContact O-N 3.34Å; G91-F95 VanDerWaalsContact O-CD2 3.25Å; G91-F95 WeakPolarHBondContact O-CD2 3.47Å; G91-F95 PolarHBondContact O-N 2.85Å; G91-N111 WeakPolarHBondContact CA-O 3.39Å
92E93.1Very high95.2Very high29 Ų2928.9 Ų28.914%0.13615%0.146CC..Hα-helixtrans-65.4-34.1179-65.7-165.3126.600113.6L87 R94 F95 D96 T97 N98 I99 N100 N112L87-E92 HydrophobicContact CD2-CG 4.2Å; E92-R94 VanDerWaalsContact C-N 3.25Å; E92-R94 PolarHBondContact O-N 3.25Å; E92-F95 PolarHBondContact O-N 3.36Å; E92-D96 WeakPolarHBondContact O-CA 3.48Å; E92-D96 PolarHBondContact O-N 2.8Å; E92-T97 HydrophobicContact CB-CG2 4.45Å; E92-T97 HydrophobicContact CG-CG2 4.18Å; E92-N98 WeakPolarHBondContact OE1-CA 3.28Å; E92-I99 HydrophobicContact CG-CG2 4.27Å; E92-I99 WeakPolarHBondContact OE1-CG2 3.45Å; E92-I99 PolarHBondContact OE1-N 2.95Å; E92-N100 HydrophobicContact CG-CB 4.42Å; E92-N100 WeakPolarHBondContact CG-ND2 3.47Å; E92-N100 WeakPolarHBondContact OE1-CB 3.34Å; E92-N100 PolarHBondContact OE1-N 3.2Å; E92-N100 VanDerWaalsContact OE2-CB 3.27Å; E92-N100 WeakPolarHBondContact OE2-CB 3.39Å; E92-N100 VanDerWaalsContact OE2-CG 3.31Å; E92-N100 PolarHBondContact OE2-ND2 3.21Å; E92-N112 PolarHBondContact N-OD1 3.22Å
93S92.2Very high95.2Very high93 Ų9328.9 Ų28.965%0.6515%0.146SC*.Hα-helixtrans-62.2-36.1-176.9-66.10000111.9G90 G91 N112G90-S93 PolarHBondContact O-N 2.98Å; G91-S93 VanDerWaalsContact C-N 3.31Å; G91-S93 PolarHBondContact O-N 3.34Å; S93-N112 PolarHBondContact N-OD1 2.96Å; S93-N112 VanDerWaalsContact N-OD1 3.09Å; S93-N112 PolarHBondContact OG-ND2 3.37Å; S93-N112 PolarHBondContact OG-OD1 2.85Å
94R93.9Very high95.2Very high150 Ų15033.2 Ų33.257%0.56617%0.166SC*.Hα-helixtrans-83.9-31.9177-175.3170.9178.8-174.9-9.5113.1E89 G90 E92E89-R94 WeakPolarHBondContact O-CD 3.13Å; E89-R94 IonicContact OE1-CZ 3.54Å; E89-R94 IonicContact OE1-NH1 2.71Å; E89-R94 PolarHBondContact OE1-NH1 3.45Å; E89-R94 IonicContact OE1-NH2 2.82Å; E89-R94 PolarHBondContact OE1-NH2 2.92Å; E89-R94 IonicContact OE2-NH1 3.4Å; E89-R94 PolarHBondContact OE2-NH1 3.39Å; G90-R94 PolarHBondContact O-N 3.5Å; E92-R94 VanDerWaalsContact C-N 3.25Å; E92-R94 PolarHBondContact O-N 3.25Å
95F94Very high95Very high17 Ų1738.5 Ų38.58%0.07519%0.191CC..Hα-helixtrans-84.2-12.3-178.6-81.3-112.9000113I18 G60 R62 G91 E92 T97I18-F95 HydrophobicContact CD1-CD1 4.11Å; I18-F95 HydrophobicContact CD1-CE1 3.16Å; I18-F95 HydrophobicContact CD1-CZ 3.43Å; I18-F95 VanDerWaalsContact CD1-CZ 3.43Å; I18-F95 HydrophobicContact CG1-CE1 3.82Å; G60-F95 VanDerWaalsContact CA-CE1 3.45Å; R62-F95 CarbonylContact C-O 3.48Å; R62-F95 WeakPolarHBondContact CA-O 3.46Å; R62-F95 HydrophobicContact CG-CD1 3.97Å; G91-F95 VanDerWaalsContact O-CD2 3.25Å; G91-F95 WeakPolarHBondContact O-CD2 3.47Å; G91-F95 PolarHBondContact O-N 2.85Å; E92-F95 PolarHBondContact O-N 3.36Å; F95-T97 VanDerWaalsContact C-N 3.29Å; F95-T97 HydrophobicContact CB-CG2 4.14Å; F95-T97 PolarHBondContact O-N 2.99Å
96D94.1Very high94.8Very high99 Ų9939.3 Ų39.353%0.52919%0.194SC..THydrogen-bonded Turntrans52.146.5-175-167.528.1000112.6K64 E92K64-D96 WeakPolarHBondContact CE-OD1 3.44Å; K64-D96 IonicContact NZ-OD1 3.14Å; K64-D96 PolarHBondContact NZ-OD1 3.32Å; E92-D96 WeakPolarHBondContact O-CA 3.48Å; E92-D96 PolarHBondContact O-N 2.8Å
97T95.4Very high94.7Very high9 Ų939.6 Ų39.66%0.05520%0.197CC..  trans-121.2175.7174.9-165.30000110.3P61 E63 L87 E92 F95 I99P61-T97 HydrophobicContact CG-CG2 4.33Å; E63-T97 PolarHBondContact O-OG1 2.97Å; L87-T97 HydrophobicContact CD2-CG2 4.13Å; E92-T97 HydrophobicContact CB-CG2 4.45Å; E92-T97 HydrophobicContact CG-CG2 4.18Å; F95-T97 VanDerWaalsContact C-N 3.29Å; F95-T97 HydrophobicContact CB-CG2 4.14Å; F95-T97 PolarHBondContact O-N 2.99Å; T97-I99 HydrophobicContact CG2-CB 4.46Å; T97-I99 HydrophobicContact CG2-CG2 4Å
98N96.1Very high94.7Very high27 Ų2739.6 Ų39.614%0.14420%0.197CC..  trans-13727.6-175.569.2-23.5000111.5K64 F65 F70 E92 N100 F101K64-N98 VanDerWaalsContact CA-OD1 3.31Å; K64-N98 WeakPolarHBondContact CA-OD1 3.3Å; K64-N98 HydrophobicContact CG-CB 4.29Å; F65-N98 PolarHBondContact N-OD1 2.65Å; F65-N98 PolarHBondContact O-ND2 3.28Å; F70-N98 VanDerWaalsContact CZ-O 3.23Å; F70-N98 WeakPolarHBondContact CZ-O 3.24Å; E92-N98 WeakPolarHBondContact OE1-CA 3.28Å; N98-N100 VanDerWaalsContact C-N 3.27Å; N98-N100 PolarHBondContact O-N 3.48Å; N98-F101 HydrophobicContact CB-CD2 3.82Å; N98-F101 HydrophobicContact CB-CE2 4.15Å; N98-F101 WeakPolarHBondContact O-CB 3.03Å; N98-F101 WeakPolarHBondContact O-CD2 3.49Å; N98-F101 PolarHBondContact O-N 2.95Å
99I95.9Very high94.8Very high0 Ų042.7 Ų42.70%021%0.212CC..THydrogen-bonded Turntrans-61.4-26.4-179.1-165.858.1000114.2F65 F70 V85 L87 E92 T97 F101 L102 L103F65-I99 HydrophobicContact CD2-CD1 4.23Å; F65-I99 HydrophobicContact CE2-CD1 3.94Å; F65-I99 HydrophobicContact CZ-CD1 4.35Å; F70-I99 HydrophobicContact CE1-CD1 4.17Å; V85-I99 HydrophobicContact CG1-CG1 3.83Å; L87-I99 HydrophobicContact CD1-CG2 3.67Å; L87-I99 HydrophobicContact CD2-CG2 3.93Å; L87-I99 HydrophobicContact CG-CG2 4.42Å; E92-I99 HydrophobicContact CG-CG2 4.27Å; E92-I99 WeakPolarHBondContact OE1-CG2 3.45Å; E92-I99 PolarHBondContact OE1-N 2.95Å; T97-I99 HydrophobicContact CG2-CB 4.46Å; T97-I99 HydrophobicContact CG2-CG2 4Å; I99-F101 PolarHBondContact O-N 2.84Å; I99-L102 HydrophobicContact CD1-CD2 4.19Å; I99-L102 WeakPolarHBondContact O-CB 3.37Å; I99-L102 PolarHBondContact O-N 3.08Å; I99-L103 HydrophobicContact CG1-CD1 4.41Å; I99-L103 HydrophobicContact CG1-CG 4.37Å; I99-L103 HydrophobicContact CG2-CD1 4.43Å; I99-L103 WeakPolarHBondContact O-CG 3.12Å; I99-L103 PolarHBondContact O-N 3.08Å; I99-L103 VanDerWaalsContact O-N 3.17Å
100N96.5Very high94.9Very high1 Ų141.9 Ų41.91%0.00521%0.209CC..Hα-helixtrans-60.5-29.3176.2-77.4-22.9000111.5E92 N98 L102 L103 E104 M109 V110E92-N100 HydrophobicContact CG-CB 4.42Å; E92-N100 WeakPolarHBondContact CG-ND2 3.47Å; E92-N100 WeakPolarHBondContact OE1-CB 3.34Å; E92-N100 PolarHBondContact OE1-N 3.2Å; E92-N100 VanDerWaalsContact OE2-CB 3.27Å; E92-N100 WeakPolarHBondContact OE2-CB 3.39Å; E92-N100 VanDerWaalsContact OE2-CG 3.31Å; E92-N100 PolarHBondContact OE2-ND2 3.21Å; N98-N100 VanDerWaalsContact C-N 3.27Å; N98-N100 PolarHBondContact O-N 3.48Å; N100-L102 PolarHBondContact O-N 3.12Å; N100-L102 VanDerWaalsContact O-N 3.16Å; N100-L103 PolarHBondContact O-N 3.4Å; N100-L103 VanDerWaalsContact O-N 3.08Å; N100-E104 HydrophobicContact CB-CG 4.49Å; N100-E104 VanDerWaalsContact O-CB 3.3Å; N100-E104 WeakPolarHBondContact O-CB 3.31Å; N100-E104 VanDerWaalsContact O-CG 3.24Å; N100-E104 WeakPolarHBondContact O-CG 3.06Å; N100-E104 PolarHBondContact O-N 3.16Å; N100-M109 HydrophobicContact CB-CG 4.35Å; N100-V110 PolarHBondContact ND2-O 3.32Å; N100-V110 VanDerWaalsContact ND2-O 3.15Å; N100-V110 PolarHBondContact OD1-N 3.02Å
101F95.8Very high95Very high137 Ų13742 Ų4260%0.60121%0.206SC*.Hα-helixtrans-56.2-32.6172-80.1-80.9000112.5F70 N98 I99F70-F101 HydrophobicContact CE2-CB 3.95Å; F70-F101 HydrophobicContact CZ-CB 4.27Å; N98-F101 HydrophobicContact CB-CD2 3.82Å; N98-F101 HydrophobicContact CB-CE2 4.15Å; N98-F101 WeakPolarHBondContact O-CB 3.03Å; N98-F101 WeakPolarHBondContact O-CD2 3.49Å; N98-F101 PolarHBondContact O-N 2.95Å; I99-F101 PolarHBondContact O-N 2.84Å
102L95Very high95Very high6 Ų646 Ų463%0.03123%0.227CC..Hα-helixtrans-80.8-44.4173178.767.6000111.7F70 L73 K74 I99 N100 Y106F70-L102 HydrophobicContact CD1-CB 3.67Å; F70-L102 HydrophobicContact CD1-CD1 4.36Å; F70-L102 HydrophobicContact CD1-CD2 4.18Å; F70-L102 HydrophobicContact CD1-CG 4.29Å; F70-L102 HydrophobicContact CE1-CB 3.73Å; F70-L102 HydrophobicContact CG-CB 4.44Å; L73-L102 HydrophobicContact CB-CD2 4.19Å; L73-L102 HydrophobicContact CD1-CD2 3.89Å; K74-L102 HydrophobicContact CG-CD1 3.71Å; I99-L102 HydrophobicContact CD1-CD2 4.19Å; I99-L102 WeakPolarHBondContact O-CB 3.37Å; I99-L102 PolarHBondContact O-N 3.08Å; N100-L102 PolarHBondContact O-N 3.12Å; N100-L102 VanDerWaalsContact O-N 3.16Å; L102-Y106 HydrophobicContact CD1-CE2 3.88Å; L102-Y106 HydrophobicContact CG-CE2 4.21Å; L102-Y106 WeakPolarHBondContact O-CD2 3.42Å; L102-Y106 WeakPolarHBondContact O-CE2 3.48Å
103L96Very high95.1Very high0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-69.8-35.1-171.9-59.1-179.7000112.7V85 I99 N100 E105 Y106 G107 I108 V110 L210 V212V85-L103 HydrophobicContact CB-CD2 4.38Å; V85-L103 HydrophobicContact CG1-CD1 4.24Å; V85-L103 HydrophobicContact CG2-CD2 4.08Å; I99-L103 HydrophobicContact CG1-CD1 4.41Å; I99-L103 HydrophobicContact CG1-CG 4.37Å; I99-L103 HydrophobicContact CG2-CD1 4.43Å; I99-L103 WeakPolarHBondContact O-CG 3.12Å; I99-L103 PolarHBondContact O-N 3.08Å; I99-L103 VanDerWaalsContact O-N 3.17Å; N100-L103 PolarHBondContact O-N 3.4Å; N100-L103 VanDerWaalsContact O-N 3.08Å; L103-E105 VanDerWaalsContact C-N 3.25Å; L103-E105 PolarHBondContact O-N 3.17Å; L103-Y106 CarbonylContact O-C 3.59Å; L103-Y106 WeakPolarHBondContact O-CA 3.47Å; L103-Y106 PolarHBondContact O-N 3.14Å; L103-G107 PolarHBondContact O-N 3.46Å; L103-I108 CarbonylContact C-O 3.59Å; L103-I108 HydrophobicContact CB-CB 4.33Å; L103-I108 WeakPolarHBondContact CB-O 3.2Å; L103-I108 PolarHBondContact O-N 2.8Å; L103-V110 HydrophobicContact CD1-CG2 4Å; L103-L210 HydrophobicContact CD2-CD1 4.26Å; L103-L210 HydrophobicContact CD2-CD2 4.12Å; L103-V212 HydrophobicContact CD1-CG1 3.96Å; L103-V212 HydrophobicContact CD1-CG2 4.15Å; L103-V212 HydrophobicContact CD2-CG2 3.61Å; L103-V212 HydrophobicContact CG-CG2 4.44Å
104E95.4Very high95.2Very high97 Ų9742.6 Ų42.645%0.45321%0.206SC..G310 helixtrans-62.3-33.2-178.6-76.9174.5-167.700111.7N100 Y106 G107 I108 M109N100-E104 HydrophobicContact CB-CG 4.49Å; N100-E104 VanDerWaalsContact O-CB 3.3Å; N100-E104 WeakPolarHBondContact O-CB 3.31Å; N100-E104 VanDerWaalsContact O-CG 3.24Å; N100-E104 WeakPolarHBondContact O-CG 3.06Å; N100-E104 PolarHBondContact O-N 3.16Å; E104-Y106 PolarHBondContact O-N 3.27Å; E104-G107 PolarHBondContact O-N 3.34Å; E104-I108 WeakPolarHBondContact CA-O 3.28Å; E104-I108 PolarHBondContact N-O 2.96Å; E104-I108 VanDerWaalsContact N-O 3.08Å; E104-M109 HydrophobicContact CG-CB 4.21Å; E104-M109 HydrophobicContact CG-CG 4.29Å
105E93.1Very high95.2Very high111 Ų11135.4 Ų35.452%0.51918%0.179SC..G310 helixtrans-62.2-24.9174.5-65.6-173.8-162.800112.7K74 L103K74-E105 VanDerWaalsContact CE-CD 3.45Å; K74-E105 VanDerWaalsContact CE-OE1 3.31Å; K74-E105 WeakPolarHBondContact CE-OE1 3.06Å; K74-E105 WeakPolarHBondContact CE-OE2 3.47Å; K74-E105 IonicContact NZ-OE1 3.13Å; K74-E105 PolarHBondContact NZ-OE1 3.5Å; K74-E105 IonicContact NZ-OE2 2.65Å; K74-E105 PolarHBondContact NZ-OE2 3.3Å; L103-E105 VanDerWaalsContact C-N 3.25Å; L103-E105 PolarHBondContact O-N 3.17Å
106Y94.7Very high95.2Very high16 Ų1636.8 Ų36.86%0.06319%0.189CC..G310 helixtrans-99.45.5175.8-56.2-71.4000112.9L77 L102 L103 E104 A180 Y201 L210L77-Y106 HydrophobicContact CD2-CD1 4.1Å; L77-Y106 HydrophobicContact CD2-CE1 3.4Å; L77-Y106 HydrophobicContact CD2-CE2 4.01Å; L77-Y106 WeakPolarHBondContact CD2-OH 3.39Å; L102-Y106 HydrophobicContact CD1-CE2 3.88Å; L102-Y106 HydrophobicContact CG-CE2 4.21Å; L102-Y106 WeakPolarHBondContact O-CD2 3.42Å; L102-Y106 WeakPolarHBondContact O-CE2 3.48Å; L103-Y106 CarbonylContact O-C 3.59Å; L103-Y106 WeakPolarHBondContact O-CA 3.47Å; L103-Y106 PolarHBondContact O-N 3.14Å; E104-Y106 PolarHBondContact O-N 3.27Å; Y106-A180 VanDerWaalsContact O-CB 3.29Å; Y106-A180 WeakPolarHBondContact O-CB 3.26Å; Y106-A180 PolarHBondContact O-N 3.06Å; Y106-Y201 AromaticContact CD1-CD1 3.72Å; Y106-Y201 HydrophobicContact CD1-CD1 3.72Å; Y106-Y201 HydrophobicContact CD1-CD2 4.29Å; Y106-Y201 AromaticContact CD1-CE1 3.33Å; Y106-Y201 HydrophobicContact CD1-CE1 3.33Å; Y106-Y201 AromaticContact CD1-CE2 3.98Å; Y106-Y201 HydrophobicContact CD1-CE2 3.98Å; Y106-Y201 HydrophobicContact CD1-CG 4.16Å; Y106-Y201 AromaticContact CD1-CZ 3.48Å; Y106-Y201 VanDerWaalsContact CD1-CZ 3.48Å; Y106-Y201 HydrophobicContact CE1-CD1 4.38Å; Y106-Y201 AromaticContact CE1-CE1 3.72Å; Y106-Y201 HydrophobicContact CE1-CE1 3.72Å; Y106-Y201 HydrophobicContact CG-CD1 4.22Å; Y106-Y201 HydrophobicContact CG-CE1 4.27Å; Y106-Y201 HydrophobicContact CG-CG 4.41Å; Y106-L210 HydrophobicContact CD2-CD2 3.59Å; Y106-L210 HydrophobicContact CE2-CD2 4.37Å; Y106-L210 HydrophobicContact CG-CD2 3.78Å
107G94.1Very high95Very high6 Ų633.3 Ų33.36%0.06217%0.168CC..THydrogen-bonded Turntrans78.425.3179.600000114.3L103 E104 V176 M177L103-G107 PolarHBondContact O-N 3.46Å; E104-G107 PolarHBondContact O-N 3.34Å; G107-V176 CarbonylContact O-C 3.39Å; G107-V176 WeakPolarHBondContact O-CA 3.48Å; G107-M177 VanDerWaalsContact CA-CG 3.48Å; G107-M177 PolarHBondContact O-N 3.27Å
108I97.1Very high94.5Very high1 Ų137.1 Ų37.11%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-123.7137.5176.8-53.8168.9000109.5L103 E104 L174 S175 A180 A199 L210 V212L103-I108 CarbonylContact C-O 3.59Å; L103-I108 HydrophobicContact CB-CB 4.33Å; L103-I108 WeakPolarHBondContact CB-O 3.2Å; L103-I108 PolarHBondContact O-N 2.8Å; E104-I108 WeakPolarHBondContact CA-O 3.28Å; E104-I108 PolarHBondContact N-O 2.96Å; E104-I108 VanDerWaalsContact N-O 3.08Å; I108-L174 HydrophobicContact CG2-CD1 4.47Å; I108-S175 CarbonylContact C-O 3.46Å; I108-S175 WeakPolarHBondContact CA-O 3.18Å; I108-A180 HydrophobicContact CD1-CB 3.71Å; I108-A180 HydrophobicContact CG1-CB 3.34Å; I108-A199 HydrophobicContact CD1-CB 3.8Å; I108-A199 HydrophobicContact CG1-CB 4.02Å; I108-A199 HydrophobicContact CG2-CB 4.19Å; I108-L210 HydrophobicContact CD1-CD2 4.43Å; I108-V212 HydrophobicContact CB-CG2 4.3Å; I108-V212 HydrophobicContact CD1-CB 4.27Å; I108-V212 HydrophobicContact CD1-CG2 3.68Å; I108-V212 HydrophobicContact CG2-CB 3.83Å; I108-V212 HydrophobicContact CG2-CG1 3.93Å; I108-V212 HydrophobicContact CG2-CG2 3.84Å
109M96.9Very high93.9Very high65 Ų6540.5 Ų40.532%0.3221%0.21SC..EExtended strand (participates in β ladder)trans-139.3134.7173.6-174.5-164.7-175.300109.7N100 E104 L174 S175N100-M109 HydrophobicContact CB-CG 4.35Å; E104-M109 HydrophobicContact CG-CB 4.21Å; E104-M109 HydrophobicContact CG-CG 4.29Å; M109-L174 CarbonylContact O-C 3.58Å; M109-L174 VanDerWaalsContact O-CA 3.31Å; M109-L174 WeakPolarHBondContact O-CA 3.33Å; M109-S175 PolarHBondContact N-O 3.41Å; M109-S175 PolarHBondContact O-N 2.9Å
110V96.7Very high93.4Very high0 Ų048.3 Ų48.30%024%0.24CC..EExtended strand (participates in β ladder)trans-84.3122.6172.9-172.90000109.1L87 N100 L103 A172 L174 V212L87-V110 HydrophobicContact CB-CG1 4.02Å; L87-V110 HydrophobicContact CB-CG2 4.34Å; L87-V110 HydrophobicContact CD1-CG2 4.24Å; L87-V110 HydrophobicContact CD2-CB 4.43Å; L87-V110 HydrophobicContact CD2-CG1 4.32Å; L87-V110 HydrophobicContact CD2-CG2 4.42Å; N100-V110 PolarHBondContact ND2-O 3.32Å; N100-V110 VanDerWaalsContact ND2-O 3.15Å; N100-V110 PolarHBondContact OD1-N 3.02Å; L103-V110 HydrophobicContact CD1-CG2 4Å; V110-A172 HydrophobicContact CG1-CB 3.93Å; V110-L174 HydrophobicContact CB-CD2 4.16Å; V110-L174 HydrophobicContact CG1-CD2 4.21Å; V110-L174 HydrophobicContact CG2-CD2 3.74Å; V110-V212 HydrophobicContact CG2-CG1 4.08Å
111N95.6Very high92.5Very high19 Ų1952.8 Ų52.810%0.10226%0.261CS..  trans-76.6155-179.4-63.9-40000111.5G91 D113 A172 T173 S175G91-N111 WeakPolarHBondContact CA-O 3.39Å; N111-D113 PolarHBondContact O-N 2.55Å; N111-D113 VanDerWaalsContact O-N 3.13Å; N111-A172 WeakPolarHBondContact O-CB 3.35Å; N111-T173 WeakPolarHBondContact CB-O 3.42Å; N111-T173 PolarHBondContact N-O 3.17Å; N111-T173 PolarHBondContact ND2-O 2.78Å; N111-T173 PolarHBondContact ND2-OG1 2.71Å; N111-S175 PolarHBondContact ND2-OG 2.88Å; N111-S175 VanDerWaalsContact ND2-OG 3.09Å; N111-S175 PolarHBondContact OD1-OG 3.31Å
112N94.2Very high92Very high84 Ų8452.4 Ų52.445%0.44926%0.259SS..SBendtrans-88.952.5177.4-61.1-48.6000111.4G90 E92 S93G90-N112 PolarHBondContact O-OD1 2.91Å; E92-N112 PolarHBondContact N-OD1 3.22Å; S93-N112 PolarHBondContact N-OD1 2.96Å; S93-N112 VanDerWaalsContact N-OD1 3.09Å; S93-N112 PolarHBondContact OG-ND2 3.37Å; S93-N112 PolarHBondContact OG-OD1 2.85Å
113D94.1Very high91.7Very high19 Ų1953.4 Ų53.410%0.10226%0.263CS..  trans-129-177.7-176.966.81.4000112.4G90 N111 A172 T173 Y260G90-D113 PolarHBondContact N-O 2.99Å; N111-D113 PolarHBondContact O-N 2.55Å; N111-D113 VanDerWaalsContact O-N 3.13Å; D113-A172 WeakPolarHBondContact OD1-CA 3.4Å; D113-T173 PolarHBondContact OD1-N 3.27Å; D113-T173 PolarHBondContact OD1-OG1 2.9Å; D113-T173 PolarHBondContact OD2-OG1 2.73Å; D113-Y260 VanDerWaalsContact CB-OH 3.23Å; D113-Y260 WeakPolarHBondContact CB-OH 3.45Å; D113-Y260 VanDerWaalsContact OD2-CE2 3.23Å; D113-Y260 WeakPolarHBondContact OD2-CE2 3.39Å; D113-Y260 PolarHBondContact OD2-OH 3.48Å
114A95Very high91.2Very high30 Ų3062.3 Ų62.325%0.24830%0.302CS..  trans-139.1129176.900000109.6E89 K127 G171E89-A114 HydrophobicContact CB-CB 3.91Å; A114-K127 HydrophobicContact CB-CD 4.25Å; A114-G171 WeakPolarHBondContact CA-O 3.35Å
115V94.5Very high91Very high0 Ų061 Ų610%030%0.296CS..  trans-75.5128.7174.3-178.20000109.2A129 Y168 G171 T173 T186 C190 F191V115-A129 HydrophobicContact CG1-CB 3.94Å; V115-Y168 HydrophobicContact CB-CD1 3.99Å; V115-Y168 HydrophobicContact CB-CE1 4.04Å; V115-Y168 HydrophobicContact CG1-CD1 4.2Å; V115-Y168 HydrophobicContact CG2-CD1 4.09Å; V115-Y168 HydrophobicContact CG2-CE1 3.69Å; V115-G171 PolarHBondContact N-O 2.98Å; V115-T173 HydrophobicContact CG2-CG2 3.55Å; V115-T186 HydrophobicContact CB-CG2 4.34Å; V115-T186 HydrophobicContact CG1-CG2 3.75Å; V115-T186 HydrophobicContact CG2-CG2 3.56Å; V115-C190 HydrophobicContact CG1-CB 3.82Å; V115-F191 WeakPolarHBondContact CA-O 3.47Å
116V93.4Very high91Very high45 Ų4559.2 Ų59.227%0.27329%0.293SS..EExtended strand (participates in β ladder)trans-123.6150.6175.5-66.40000109.7K127 C190 F191V116-K127 HydrophobicContact CG1-CG 3.86Å; V116-C190 CarbonylContact O-C 3.6Å; V116-C190 WeakPolarHBondContact O-CA 3.24Å; V116-F191 HydrophobicContact CG2-CB 3.98Å; V116-F191 PolarHBondContact N-O 3.24Å; V116-F191 PolarHBondContact O-N 3.34Å
117R89.1Confident91Very high27 Ų2761 Ų6110%0.10230%0.302CS..EExtended strand (participates in β ladder)trans-72.2150.4168.373.8-172.174.1-14611.2110.8V119 H121 Y123 H125 P126 E128R117-V119 WeakPolarHBondContact CD-O 3.49Å; R117-V119 WeakPolarHBondContact CG-O 3.36Å; R117-H121 PolarHBondContact NH1-O 3.01Å; R117-Y123 PolarHBondContact NH2-O 2.8Å; R117-H125 PolarHBondContact NH2-O 2.84Å; R117-P126 WeakPolarHBondContact CG-O 3.33Å; R117-P126 PolarHBondContact N-O 2.93Å; R117-P126 PolarHBondContact NE-O 2.87Å; R117-E128 VanDerWaalsContact CZ-O 3.28Å; R117-E128 VanDerWaalsContact NH2-CB 3.33Å; R117-E128 PolarHBondContact NH2-O 3.07Å
118N85.8Confident91Very high89 Ų8961.7 Ų61.748%0.47630%0.303SS..SBendtrans-83.8-31.2170.6-71.7-13.4000112.9V189 F191N118-V189 PolarHBondContact N-O 3.26Å; N118-V189 VanDerWaalsContact N-O 3.07Å; N118-F191 WeakPolarHBondContact OD1-CB 3.26Å
119V82.3Confident90.8Very high98 Ų9861.6 Ų61.659%0.59430%0.303SS*.SBendtrans-127.3139.7-176.1-173.80000109.5R117 H121R117-V119 WeakPolarHBondContact CD-O 3.49Å; R117-V119 WeakPolarHBondContact CG-O 3.36Å; V119-H121 PolarHBondContact O-N 2.9Å
120Y85.3Confident90.7Very high163 Ų16359.5 Ų59.564%0.63929%0.293SS*.  trans-61.6130.5174175.2-93000110.9Y123Y120-Y123 WeakPolarHBondContact CE2-O 3.28Å
121H78.2Confident90.5Very high95 Ų9559.6 Ų59.644%0.4429%0.293SS..  trans-162.9121.8178.5-174.6-96.4000112.4R117 V119 Y123 L130R117-H121 PolarHBondContact NH1-O 3.01Å; V119-H121 PolarHBondContact O-N 2.9Å; H121-Y123 PolarHBondContact O-N 2.87Å; H121-L130 WeakPolarHBondContact ND1-CD2 3.33Å
122K84.9Confident90.3Very high129 Ų12960.7 Ų60.756%0.56130%0.302SS*.SBendtrans58.5-45.8178-73.7178.3171.81800117.7E227K122-E227 WeakPolarHBondContact CD-OE1 3.23Å; K122-E227 IonicContact NZ-OE1 3.59Å; K122-E227 PolarHBondContact NZ-OE1 3.39Å; K122-E227 IonicContact NZ-OE2 3.74Å; K122-E227 PolarHBondContact NZ-OE2 2.97Å; K122-E227 VanDerWaalsContact NZ-OE2 3.13Å
123Y88.5Confident90.1Very high28 Ų2857.3 Ų57.311%0.1129%0.285CS..  trans-106.3144.6-171.3-64.3-73.4000110.9R117 Y120 H121 E128 L130 V167 K226 E227R117-Y123 PolarHBondContact NH2-O 2.8Å; Y120-Y123 WeakPolarHBondContact CE2-O 3.28Å; H121-Y123 PolarHBondContact O-N 2.87Å; Y123-E128 HydrophobicContact CG-CB 4.2Å; Y123-L130 HydrophobicContact CE2-CD1 4.37Å; Y123-V167 HydrophobicContact CD2-CG1 4.48Å; Y123-V167 HydrophobicContact CE2-CG1 4.23Å; Y123-V167 HydrophobicContact CE2-CG2 3.55Å; Y123-V167 WeakPolarHBondContact OH-CG2 3.17Å; Y123-K226 HydrophobicContact CE1-CD 3.77Å; Y123-E227 PolarHBondContact OH-OE1 3.35Å
124F85.9Confident89.9Confident187 Ų18756.4 Ų56.482%0.8228%0.28SS*.SBendtrans-79.8-42-169.4-171.6-105.9000112.3E128F124-E128 PolarHBondContact N-OE2 3.3Å
125H92.3Very high89.8Confident70 Ų7055 Ų5532%0.32427%0.269SS..SBendtrans-85130.7-174.3-169.1-82000110.7R117 K127 E128 F170R117-H125 PolarHBondContact NH2-O 2.84Å; H125-K127 VanDerWaalsContact CE1-CG 3.49Å; H125-K127 WeakPolarHBondContact CE1-CG 3.4Å; H125-K127 WeakPolarHBondContact ND1-CB 3.29Å; H125-K127 PolarHBondContact ND1-N 2.89Å; H125-K127 VanDerWaalsContact ND1-N 3.13Å; H125-K127 PolarHBondContact O-N 2.86Å; H125-E128 HydrophobicContact CB-CG 4.01Å; H125-E128 PolarHBondContact N-OE2 3.27Å; H125-E128 VanDerWaalsContact N-OE2 3.08Å; H125-E128 WeakPolarHBondContact O-CB 3.45Å; H125-E128 PolarHBondContact O-N 3.04Å; H125-F170 HydrophobicContact CB-CZ 4.35Å; H125-F170 AromaticContact CE1-CE1 3.45Å; H125-F170 VanDerWaalsContact CE1-CE1 3.45Å; H125-F170 WeakPolarHBondContact CE1-CE1 3.27Å; H125-F170 AromaticContact CG-CE1 3.94Å; H125-F170 AromaticContact CG-CZ 3.88Å; H125-F170 AromaticContact ND1-CE1 3.44Å; H125-F170 WeakPolarHBondContact ND1-CE1 3.4Å; H125-F170 AromaticContact ND1-CZ 3.77Å; H125-F170 AromaticContact NE2-CE1 3.92Å
126P91.8Very high89.6Confident72 Ų7255.4 Ų55.447%0.46827%0.271SS..THydrogen-bonded Turntrans-53.8-32.2-177.3-29.836000114.5R117 E128R117-P126 WeakPolarHBondContact CG-O 3.33Å; R117-P126 PolarHBondContact N-O 2.93Å; R117-P126 PolarHBondContact NE-O 2.87Å; P126-E128 VanDerWaalsContact C-N 3.34Å; P126-E128 PolarHBondContact O-N 3.12Å
127K95Very high89.4Confident55 Ų5553.3 Ų53.324%0.23926%0.258CS..THydrogen-bonded Turntrans-80.1-2.6178.2-54.2-178.3-172.5172.50115.6E89 A114 V116 H125 A129 P169 F170E89-K127 IonicContact OE1-NZ 2.7Å; E89-K127 WeakPolarHBondContact OE2-CD 3.39Å; E89-K127 WeakPolarHBondContact OE2-CE 3.44Å; E89-K127 IonicContact OE2-NZ 3.6Å; E89-K127 PolarHBondContact OE2-NZ 3.18Å; A114-K127 HydrophobicContact CB-CD 4.25Å; V116-K127 HydrophobicContact CG1-CG 3.86Å; H125-K127 VanDerWaalsContact CE1-CG 3.49Å; H125-K127 WeakPolarHBondContact CE1-CG 3.4Å; H125-K127 WeakPolarHBondContact ND1-CB 3.29Å; H125-K127 PolarHBondContact ND1-N 2.89Å; H125-K127 VanDerWaalsContact ND1-N 3.13Å; H125-K127 PolarHBondContact O-N 2.86Å; K127-A129 PolarHBondContact O-N 3.21Å; K127-P169 CarbonylContact O-C 3.51Å; K127-P169 WeakPolarHBondContact O-CA 3.41Å; K127-F170 HydrophobicContact CB-CD1 3.9Å; K127-F170 HydrophobicContact CB-CE1 4.2Å; K127-F170 HydrophobicContact CB-CG 4.5Å; K127-F170 HydrophobicContact CD-CD1 4.11Å; K127-F170 PolarHBondContact O-N 2.79Å
128E94.4Very high89.4Confident19 Ų1954.3 Ų54.39%0.08926%0.262CS..EExtended strand (participates in β ladder)trans-82.558168.5-66.7173127.200110R117 Y123 F124 H125 P126 L130 P169 F170 Y223R117-E128 VanDerWaalsContact CZ-O 3.28Å; R117-E128 VanDerWaalsContact NH2-CB 3.33Å; R117-E128 PolarHBondContact NH2-O 3.07Å; Y123-E128 HydrophobicContact CG-CB 4.2Å; F124-E128 PolarHBondContact N-OE2 3.3Å; H125-E128 HydrophobicContact CB-CG 4.01Å; H125-E128 PolarHBondContact N-OE2 3.27Å; H125-E128 VanDerWaalsContact N-OE2 3.08Å; H125-E128 WeakPolarHBondContact O-CB 3.45Å; H125-E128 PolarHBondContact O-N 3.04Å; P126-E128 VanDerWaalsContact C-N 3.34Å; P126-E128 PolarHBondContact O-N 3.12Å; E128-L130 PolarHBondContact O-N 2.98Å; E128-P169 HydrophobicContact CG-CB 4.34Å; E128-F170 HydrophobicContact CG-CE2 4.11Å; E128-F170 HydrophobicContact CG-CZ 4.46Å; E128-Y223 HydrophobicContact CG-CE1 4.1Å; E128-Y223 WeakPolarHBondContact OE1-CE1 3.44Å; E128-Y223 VanDerWaalsContact OE1-CZ 3.31Å; E128-Y223 PolarHBondContact OE1-OH 3.31Å
129A93.3Very high89.4Confident0 Ų052 Ų520%025%0.248CC..EExtended strand (participates in β ladder)trans-64.5124.9-167.200000111.3V115 K127 V167 Y168V115-A129 HydrophobicContact CG1-CB 3.94Å; K127-A129 PolarHBondContact O-N 3.21Å; A129-V167 CarbonylContact O-C 3.58Å; A129-Y168 PolarHBondContact N-O 3.46Å; A129-Y168 PolarHBondContact O-N 2.86Å
130L94.3Very high89.8Confident21 Ų2147.5 Ų47.511%0.1122%0.221CC..EExtended strand (participates in β ladder)trans-90.5115.4173.6-178.369.8000108.5H121 Y123 E128 T165 V167 E227H121-L130 WeakPolarHBondContact ND1-CD2 3.33Å; Y123-L130 HydrophobicContact CE2-CD1 4.37Å; E128-L130 PolarHBondContact O-N 2.98Å; L130-T165 HydrophobicContact CD1-CG2 3.68Å; L130-T165 HydrophobicContact CD2-CG2 4.43Å; L130-T165 HydrophobicContact CG-CG2 4.11Å; L130-V167 HydrophobicContact CD1-CG2 4.02Å; L130-E227 HydrophobicContact CD1-CG 3.76Å
131V93.5Very high89.9Confident2 Ų240.3 Ų40.31%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-103.6116.6-179.5-175.90000108.7T165 F166V131-T165 WeakPolarHBondContact O-CA 3.45Å; V131-F166 HydrophobicContact CB-CD2 4.17Å; V131-F166 HydrophobicContact CB-CE1 4.21Å; V131-F166 HydrophobicContact CB-CE2 3.68Å; V131-F166 HydrophobicContact CB-CZ 3.71Å; V131-F166 HydrophobicContact CG1-CE1 4.06Å; V131-F166 HydrophobicContact CG1-CE2 4.11Å; V131-F166 HydrophobicContact CG1-CZ 3.62Å; V131-F166 HydrophobicContact CG2-CE2 3.96Å; V131-F166 HydrophobicContact CG2-CZ 4.32Å; V131-F166 PolarHBondContact N-O 3.35Å; V131-F166 PolarHBondContact O-N 3.17Å
132S89.9Confident90.3Very high42 Ų4242.9 Ų42.929%0.29420%0.2SC..SBendtrans-107.7-15.1178.254.50000113.8Q162S132-Q162 VanDerWaalsContact O-CA 3.24Å; S132-Q162 WeakPolarHBondContact O-CA 3.43Å
133S89.9Confident90.3Very high13 Ų1338.1 Ų38.19%0.09119%0.185CC..SBendtrans-128.245-177.452.50000111.6A161 G187 S188S133-A161 CarbonylContact C-O 3.54Å; S133-A161 VanDerWaalsContact C-O 3.29Å; S133-A161 VanDerWaalsContact CA-O 3.26Å; S133-A161 WeakPolarHBondContact CA-O 3.15Å; S133-G187 VanDerWaalsContact O-CA 3.22Å; S133-G187 WeakPolarHBondContact O-CA 3.43Å; S133-S188 PolarHBondContact OG-N 3.21Å; S133-S188 PolarHBondContact OG-OG 3.12Å
134G90Very high90.1Very high0 Ų037.5 Ų37.50%019%0.185CC..  trans-106.72.3-167.900000115.9A161 L184 S185G134-A161 PolarHBondContact N-O 3.06Å; G134-L184 CarbonylContact O-C 3.55Å; G134-L184 WeakPolarHBondContact O-CA 3.38Å; G134-S185 WeakPolarHBondContact CA-O 3.26Å; G134-S185 PolarHBondContact O-N 3.47Å
135V92.7Very high89.8Confident1 Ų131.7 Ų31.71%0.00618%0.178CC..BIsolated β-bridgetrans-87.8115.6-175.7-175.80000110.7N137 I140 N159 A161 L164 L184V135-N137 VanDerWaalsContact CG1-O 3.29Å; V135-N137 WeakPolarHBondContact CG1-O 3.41Å; V135-I140 HydrophobicContact CG1-CB 4.07Å; V135-I140 HydrophobicContact CG1-CG2 4.44Å; V135-N159 PolarHBondContact O-ND2 2.94Å; V135-A161 PolarHBondContact N-O 3.34Å; V135-A161 WeakPolarHBondContact O-CA 3.3Å; V135-L164 HydrophobicContact CG2-CB 3.86Å; V135-L164 HydrophobicContact CG2-CD1 4.03Å; V135-L164 HydrophobicContact CG2-CG 4.31Å; V135-L184 HydrophobicContact CG2-CD2 4.19Å
136L90.8Very high89.1Confident8 Ų832.1 Ų32.14%0.04218%0.179CC..  trans-91.2-28.3179.8-62.8176.5000113.3N159 A182 V183 P255 E256 I257L136-N159 VanDerWaalsContact C-ND2 3.28Å; L136-N159 PolarHBondContact O-ND2 2.98Å; L136-A182 HydrophobicContact CD1-CB 3.67Å; L136-V183 WeakPolarHBondContact CB-O 2.79Å; L136-V183 PolarHBondContact N-O 3.06Å; L136-P255 HydrophobicContact CD1-CB 4.4Å; L136-E256 HydrophobicContact CD2-CB 4.43Å; L136-E256 WeakPolarHBondContact CD2-O 3.46Å; L136-I257 HydrophobicContact CD1-CG2 3.8Å; L136-I257 HydrophobicContact CD2-CG2 4.32Å
137N89.9Confident87.5Confident0 Ų031.7 Ų31.70%018%0.182CC..SBendtrans-118.5124.1179.3-163.7-68.3000110.9V135 E139 I140 V183 N248 D251V135-N137 VanDerWaalsContact CG1-O 3.29Å; V135-N137 WeakPolarHBondContact CG1-O 3.41Å; N137-E139 PolarHBondContact O-N 3.01Å; N137-E139 VanDerWaalsContact O-N 3.09Å; N137-E139 WeakPolarHBondContact OD1-CB 3.4Å; N137-E139 PolarHBondContact OD1-N 3.44Å; N137-E139 VanDerWaalsContact OD1-N 3.15Å; N137-I140 HydrophobicContact CB-CG1 4.28Å; N137-I140 WeakPolarHBondContact O-CB 3.28Å; N137-I140 WeakPolarHBondContact O-CG1 3.27Å; N137-I140 PolarHBondContact O-N 3.46Å; N137-V183 HydrophobicContact CB-CG1 4.41Å; N137-N248 PolarHBondContact ND2-N 2.95Å; N137-N248 PolarHBondContact ND2-O 3.07Å; N137-N248 VanDerWaalsContact ND2-O 3.07Å; N137-N248 PolarHBondContact OD1-N 2.88Å; N137-D251 HydrophobicContact CB-CB 4.41Å
138R88.1Confident85.4Confident48 Ų4833.7 Ų33.718%0.18120%0.198CC..Hα-helixtrans-60.9-24-175.472.4-171.669.9-161-0.2114.1I140 S141 R142 S157 N159 N248 D251R138-I140 PolarHBondContact O-N 2.86Å; R138-S141 WeakPolarHBondContact O-CB 3.14Å; R138-S141 PolarHBondContact O-N 3.04Å; R138-R142 PolarHBondContact O-N 3.31Å; R138-S157 PolarHBondContact NH1-O 2.88Å; R138-S157 PolarHBondContact NH2-O 3.15Å; R138-N159 WeakPolarHBondContact CA-OD1 3.11Å; R138-N159 HydrophobicContact CB-CB 4.34Å; R138-N159 PolarHBondContact N-OD1 2.83Å; R138-N248 HydrophobicContact CG-CB 4.05Å; R138-D251 WeakPolarHBondContact CB-OD2 3.07Å; R138-D251 VanDerWaalsContact CG-OD2 3.3Å; R138-D251 WeakPolarHBondContact CG-OD2 3.35Å; R138-D251 IonicContact CZ-OD1 3.34Å; R138-D251 IonicContact CZ-OD2 2.66Å; R138-D251 PolarHBondContact N-OD2 3.4Å; R138-D251 IonicContact NE-OD1 3.42Å; R138-D251 PolarHBondContact NE-OD1 2.78Å; R138-D251 IonicContact NE-OD2 3.76Å; R138-D251 PolarHBondContact NE-OD2 2.7Å; R138-D251 IonicContact NH2-OD1 2.78Å; R138-D251 PolarHBondContact NH2-OD1 3.29Å; R138-D251 IonicContact NH2-OD2 3.75Å
139E87.3Confident82.8Confident41 Ų4139 Ų3919%0.19223%0.234CC..Hα-helixtrans-66.7-27.5179.6-165.460.8-150.800111.8N137 S141 R142 A143 I245 H246N137-E139 PolarHBondContact O-N 3.01Å; N137-E139 VanDerWaalsContact O-N 3.09Å; N137-E139 WeakPolarHBondContact OD1-CB 3.4Å; N137-E139 PolarHBondContact OD1-N 3.44Å; N137-E139 VanDerWaalsContact OD1-N 3.15Å; E139-S141 VanDerWaalsContact C-N 3.32Å; E139-S141 PolarHBondContact O-N 3.18Å; E139-R142 PolarHBondContact O-N 3.31Å; E139-R142 WeakPolarHBondContact OE2-CD 3.2Å; E139-A143 WeakPolarHBondContact O-CB 3.47Å; E139-A143 PolarHBondContact O-N 3.17Å; E139-I245 HydrophobicContact CG-CG2 3.87Å; E139-H246 WeakPolarHBondContact CG-O 3.34Å
140I89.8Confident80.5Confident4 Ų442.4 Ų42.42%0.02127%0.269CS..Hα-helixtrans-62.5-42.7174.8-57.4-59.6000110.5V135 N137 R138 A144 L164 V183 L184 F200 V235 L247V135-I140 HydrophobicContact CG1-CB 4.07Å; V135-I140 HydrophobicContact CG1-CG2 4.44Å; N137-I140 HydrophobicContact CB-CG1 4.28Å; N137-I140 WeakPolarHBondContact O-CB 3.28Å; N137-I140 WeakPolarHBondContact O-CG1 3.27Å; N137-I140 PolarHBondContact O-N 3.46Å; R138-I140 PolarHBondContact O-N 2.86Å; I140-A144 VanDerWaalsContact O-CB 3.29Å; I140-A144 WeakPolarHBondContact O-CB 3.23Å; I140-A144 PolarHBondContact O-N 3.26Å; I140-L164 HydrophobicContact CG2-CD1 4.07Å; I140-V183 HydrophobicContact CD1-CB 4.35Å; I140-V183 HydrophobicContact CG1-CB 4.26Å; I140-L184 HydrophobicContact CG2-CD2 4.42Å; I140-F200 HydrophobicContact CD1-CE2 4.01Å; I140-V235 HydrophobicContact CD1-CG1 3.73Å; I140-V235 HydrophobicContact CG2-CG1 4.15Å; I140-L247 HydrophobicContact CD1-CD2 4.47Å
141S87.8Confident78.2Confident11 Ų1146.8 Ų46.88%0.07729%0.292CS..Hα-helixtrans-66.2-37.1176.7-56.60000112.3R138 E139 G145 K146 A163R138-S141 WeakPolarHBondContact O-CB 3.14Å; R138-S141 PolarHBondContact O-N 3.04Å; E139-S141 VanDerWaalsContact C-N 3.32Å; E139-S141 PolarHBondContact O-N 3.18Å; S141-G145 PolarHBondContact O-N 3.33Å; S141-K146 WeakPolarHBondContact O-CB 3.31Å; S141-K146 PolarHBondContact O-N 2.73Å; S141-A163 WeakPolarHBondContact OG-CB 3.47Å
142R85.9Confident75.8Confident149 Ų14953.9 Ų53.956%0.56233%0.328SS*.Hα-helixtrans-67.3-49.2176.3-70.3178.1173.7-161.1-1.9111.4R138 E139 A144 G145 A147R138-R142 PolarHBondContact O-N 3.31Å; E139-R142 PolarHBondContact O-N 3.31Å; E139-R142 WeakPolarHBondContact OE2-CD 3.2Å; R142-A144 PolarHBondContact O-N 3.27Å; R142-G145 PolarHBondContact O-N 2.71Å; R142-A147 HydrophobicContact CG-CB 4.43Å
143A85.3Confident73.4Confident29 Ų2957.3 Ų57.324%0.2434%0.343CS..Hα-helixtrans-62.2-32.4177.100000112.3E139 G145 V235 I245E139-A143 WeakPolarHBondContact O-CB 3.47Å; E139-A143 PolarHBondContact O-N 3.17Å; A143-G145 PolarHBondContact O-N 2.88Å; A143-V235 HydrophobicContact CB-CB 4.46Å; A143-V235 HydrophobicContact CB-CG1 3.95Å; A143-V235 HydrophobicContact CB-CG2 3.76Å; A143-I245 HydrophobicContact CB-CD1 3.65Å; A143-I245 HydrophobicContact CB-CG1 4.19Å
144A84Confident71.3Confident15 Ų1565 Ų6512%0.12438%0.378CS..THydrogen-bonded Turntrans-75.4-0.117400000114.4I140 R142 L164 K231 V235I140-A144 VanDerWaalsContact O-CB 3.29Å; I140-A144 WeakPolarHBondContact O-CB 3.23Å; I140-A144 PolarHBondContact O-N 3.26Å; R142-A144 PolarHBondContact O-N 3.27Å; A144-L164 HydrophobicContact CB-CD1 3.85Å; A144-L164 HydrophobicContact CB-CD2 3.83Å; A144-L164 HydrophobicContact CB-CG 4.41Å; A144-K231 HydrophobicContact CB-CB 4.26Å; A144-V235 HydrophobicContact CB-CG2 3.9Å
145G80.6Confident69Low65 Ų6574 Ų7467%0.6742%0.42SS*.THydrogen-bonded Turntrans72.923.9179.500000114.3S141 R142 A143S141-G145 PolarHBondContact O-N 3.33Å; R142-G145 PolarHBondContact O-N 2.71Å; A143-G145 PolarHBondContact O-N 2.88Å
146K76.1Confident66.8Low80 Ų8077.8 Ų77.835%0.34845%0.447SS..  trans-98.28.3180-71.7-68.3-161.11720114.2S141 V148 L164 E228S141-K146 WeakPolarHBondContact O-CB 3.31Å; S141-K146 PolarHBondContact O-N 2.73Å; K146-V148 PolarHBondContact O-N 3.48Å; K146-L164 HydrophobicContact CG-CD2 3.71Å; K146-L164 HydrophobicContact CG-CG 4.43Å; K146-E228 VanDerWaalsContact CE-CD 3.44Å; K146-E228 WeakPolarHBondContact CE-OE1 3.31Å; K146-E228 WeakPolarHBondContact CE-OE2 3.35Å; K146-E228 IonicContact NZ-OE1 3.19Å; K146-E228 PolarHBondContact NZ-OE1 2.98Å; K146-E228 IonicContact NZ-OE2 2.62Å
147A59.9Low64.9Low63 Ų6381.3 Ų81.352%0.52147%0.472SS..  trans-66.6122.4171.800000109.7R142 P149R142-A147 HydrophobicContact CG-CB 4.43Å; A147-P149 VanDerWaalsContact O-CD 3.28Å; A147-P149 WeakPolarHBondContact O-CD 3.5Å
148V50.6Low63.4Low96 Ų9684.1 Ų84.158%0.58250%0.501SS*.  trans-73.2115.5174.2-177.50000108.2K146 G150 I151K146-V148 PolarHBondContact O-N 3.48Å; V148-G150 PolarHBondContact O-N 3.09Å; V148-I151 HydrophobicContact CB-CD1 4.35Å; V148-I151 HydrophobicContact CG1-CD1 3.97Å; V148-I151 HydrophobicContact CG1-CG1 4.11Å
149P38.8Very low62.5Low130 Ų13083.2 Ų83.284%0.84450%0.499SS*.THydrogen-bonded Turntrans-71.4115.9172.7-5.822.9000108A147A147-P149 VanDerWaalsContact O-CD 3.28Å; A147-P149 WeakPolarHBondContact O-CD 3.5Å
150G45.6Very low62Low72 Ų7285.9 Ų85.974%0.74252%0.515SS*.THydrogen-bonded Turntrans121-6.6173.400000116.7V148V148-G150 PolarHBondContact O-N 3.09Å
151I45.9Very low61.4Low113 Ų11386.7 Ų86.758%0.57952%0.522SS*.  trans-102.971.7166.4-51.7173000107.1V148 D153V148-I151 HydrophobicContact CB-CD1 4.35Å; V148-I151 HydrophobicContact CG1-CD1 3.97Å; V148-I151 HydrophobicContact CG1-CG1 4.11Å; I151-D153 VanDerWaalsContact C-N 3.32Å
152I44.2Very low61.2Low151 Ų15192.7 Ų92.777%0.77455%0.549SS*.  trans-104.263159.7-47.5173.8000105.2
153D39.3Very low61Low115 Ų11586.5 Ų86.562%0.61553%0.53SS*.  trans-81.2113.5153.9-91.1-21.4000105.3I151 E155 S156I151-D153 VanDerWaalsContact C-N 3.32Å; D153-E155 PolarHBondContact O-N 2.8Å; D153-S156 PolarHBondContact O-N 2.81Å
154E45.1Very low61.1Low174 Ų17485.1 Ų85.181%0.81352%0.518SS*.THydrogen-bonded Turntrans-55.6-12175.3-67.6-17614800112.3S157E154-S157 PolarHBondContact O-OG 2.67Å; E154-S157 VanDerWaalsContact O-OG 3.09Å
155E41.6Very low61.5Low188 Ų18886.3 Ų86.388%0.87952%0.524SS*.THydrogen-bonded Turntrans-89.5-12.8175.7-66.4-170.7156.300115.3D153 S157D153-E155 PolarHBondContact O-N 2.8Å; E155-S157 PolarHBondContact O-N 2.86Å
156S46Very low62.2Low82 Ų8283.2 Ų83.257%0.57349%0.493SS*.  trans-100.544.1177.2-68.60000112.8D153 G158D153-S156 PolarHBondContact O-N 2.81Å; S156-G158 PolarHBondContact O-N 2.73Å
157S51.6Low63.1Low82 Ų8279.4 Ų79.457%0.57348%0.476SS*.  trans-72.417.7-174.2-71.70000115.5R138 E154 E155R138-S157 PolarHBondContact NH1-O 2.88Å; R138-S157 PolarHBondContact NH2-O 3.15Å; E154-S157 PolarHBondContact O-OG 2.67Å; E154-S157 VanDerWaalsContact O-OG 3.09Å; E155-S157 PolarHBondContact O-N 2.86Å
158G59.1Low64.9Low59 Ų5976.4 Ų76.461%0.60845%0.451SS*.SBendtrans-82.4149.5179.700000113.5S156 N160S156-G158 PolarHBondContact O-N 2.73Å; G158-N160 PolarHBondContact O-N 2.75Å
159N67.9Low67.1Low28 Ų2871.9 Ų71.915%0.1542%0.423CS..  trans-67.3126.5168.417529.3000109.4V135 L136 R138 A161V135-N159 PolarHBondContact O-ND2 2.94Å; L136-N159 VanDerWaalsContact C-ND2 3.28Å; L136-N159 PolarHBondContact O-ND2 2.98Å; R138-N159 WeakPolarHBondContact CA-OD1 3.11Å; R138-N159 HydrophobicContact CB-CB 4.34Å; R138-N159 PolarHBondContact N-OD1 2.83Å; N159-A161 PolarHBondContact O-N 2.66Å; N159-A161 VanDerWaalsContact O-N 3.12Å
160N77.5Confident69.8Low97 Ų9767.6 Ų67.652%0.51939%0.392SS..  trans-83.886.6173.3-173.31.6000109.8G158 Q162 A163G158-N160 PolarHBondContact O-N 2.75Å; N160-Q162 PolarHBondContact O-N 2.93Å; N160-Q162 PolarHBondContact OD1-N 3.1Å; N160-A163 HydrophobicContact CB-CB 4.29Å; N160-A163 VanDerWaalsContact O-CB 3.27Å; N160-A163 WeakPolarHBondContact O-CB 3.21Å; N160-A163 PolarHBondContact O-N 2.76Å; N160-A163 VanDerWaalsContact O-N 3.07Å
161A77.8Confident72.2Confident21 Ų2164.2 Ų64.217%0.17436%0.356CS..THydrogen-bonded Turntrans-56.7-22.2178.400000113.3S133 G134 V135 N159S133-A161 CarbonylContact C-O 3.54Å; S133-A161 VanDerWaalsContact C-O 3.29Å; S133-A161 VanDerWaalsContact CA-O 3.26Å; S133-A161 WeakPolarHBondContact CA-O 3.15Å; G134-A161 PolarHBondContact N-O 3.06Å; V135-A161 PolarHBondContact N-O 3.34Å; V135-A161 WeakPolarHBondContact O-CA 3.3Å; N159-A161 PolarHBondContact O-N 2.66Å; N159-A161 VanDerWaalsContact O-N 3.12Å
162Q82.6Confident74.7Confident137 Ų13758.8 Ų58.864%0.6433%0.329SS*.THydrogen-bonded Turntrans-91.95.9-179.2-65.2-176.6-1300115S132 N160 L164S132-Q162 VanDerWaalsContact O-CA 3.24Å; S132-Q162 WeakPolarHBondContact O-CA 3.43Å; N160-Q162 PolarHBondContact O-N 2.93Å; N160-Q162 PolarHBondContact OD1-N 3.1Å; Q162-L164 VanDerWaalsContact C-N 3.27Å; Q162-L164 PolarHBondContact O-N 3.42Å
163A81Confident77.2Confident19 Ų1951.6 Ų51.616%0.15729%0.292CS..SBendtrans-66.3-25.2-173.600000114.6S141 N160S141-A163 WeakPolarHBondContact OG-CB 3.47Å; N160-A163 HydrophobicContact CB-CB 4.29Å; N160-A163 VanDerWaalsContact O-CB 3.27Å; N160-A163 WeakPolarHBondContact O-CB 3.21Å; N160-A163 PolarHBondContact O-N 2.76Å; N160-A163 VanDerWaalsContact O-N 3.07Å
164L88Confident79.9Confident0 Ų046.1 Ų46.10%026%0.263CS..  trans-130133.6-176.4-70.2166.4000110.6V135 I140 A144 K146 Q162 E228 K231 I232V135-L164 HydrophobicContact CG2-CB 3.86Å; V135-L164 HydrophobicContact CG2-CD1 4.03Å; V135-L164 HydrophobicContact CG2-CG 4.31Å; I140-L164 HydrophobicContact CG2-CD1 4.07Å; A144-L164 HydrophobicContact CB-CD1 3.85Å; A144-L164 HydrophobicContact CB-CD2 3.83Å; A144-L164 HydrophobicContact CB-CG 4.41Å; K146-L164 HydrophobicContact CG-CD2 3.71Å; K146-L164 HydrophobicContact CG-CG 4.43Å; Q162-L164 VanDerWaalsContact C-N 3.27Å; Q162-L164 PolarHBondContact O-N 3.42Å; L164-E228 HydrophobicContact CD2-CB 4.48Å; L164-E228 WeakPolarHBondContact CD2-OE2 3.3Å; L164-K231 HydrophobicContact CD2-CD 4.48Å; L164-I232 HydrophobicContact CD1-CD1 3.8Å
165T92.5Very high82.3Confident41 Ų4139.7 Ų39.725%0.25224%0.237SC..  trans-113.6122.2173.5-63.80000110L130 V131 E227 E228L130-T165 HydrophobicContact CD1-CG2 3.68Å; L130-T165 HydrophobicContact CD2-CG2 4.43Å; L130-T165 HydrophobicContact CG-CG2 4.11Å; V131-T165 WeakPolarHBondContact O-CA 3.45Å; T165-E227 WeakPolarHBondContact O-CB 3.42Å; T165-E228 PolarHBondContact N-OE2 3.46Å; T165-E228 VanDerWaalsContact O-CB 3.28Å; T165-E228 WeakPolarHBondContact O-CB 3.4Å; T165-E228 PolarHBondContact O-N 3.23Å
166F95Very high84.8Confident0 Ų032.2 Ų32.20%020%0.204CC..EExtended strand (participates in β ladder)trans-139.6155-175.660.7-92.5000111.6V131 L184 I197 M218 N229 I232V131-F166 HydrophobicContact CB-CD2 4.17Å; V131-F166 HydrophobicContact CB-CE1 4.21Å; V131-F166 HydrophobicContact CB-CE2 3.68Å; V131-F166 HydrophobicContact CB-CZ 3.71Å; V131-F166 HydrophobicContact CG1-CE1 4.06Å; V131-F166 HydrophobicContact CG1-CE2 4.11Å; V131-F166 HydrophobicContact CG1-CZ 3.62Å; V131-F166 HydrophobicContact CG2-CE2 3.96Å; V131-F166 HydrophobicContact CG2-CZ 4.32Å; V131-F166 PolarHBondContact N-O 3.35Å; V131-F166 PolarHBondContact O-N 3.17Å; F166-L184 HydrophobicContact CE1-CD1 4.46Å; F166-L184 HydrophobicContact CE1-CD2 4.1Å; F166-L184 HydrophobicContact CZ-CB 4.44Å; F166-L184 HydrophobicContact CZ-CD1 4.19Å; F166-L184 HydrophobicContact CZ-CD2 4.29Å; F166-I197 HydrophobicContact CE2-CD1 3.58Å; F166-I197 HydrophobicContact CZ-CD1 3.81Å; F166-M218 HydrophobicContact CB-CE 4.03Å; F166-M218 HydrophobicContact CD2-CE 3.48Å; F166-M218 VanDerWaalsContact CD2-CE 3.48Å; F166-M218 HydrophobicContact CE2-CE 4.18Å; F166-M218 HydrophobicContact CG-CE 3.92Å; F166-N229 WeakPolarHBondContact CA-OD1 3.35Å; F166-N229 VanDerWaalsContact CB-OD1 3.26Å; F166-N229 WeakPolarHBondContact CB-OD1 3.28Å; F166-I232 HydrophobicContact CB-CG1 4.18Å; F166-I232 HydrophobicContact CD1-CD1 4.24Å; F166-I232 HydrophobicContact CD1-CG1 4.3Å; F166-I232 HydrophobicContact CG-CG1 4.3Å
167V95.8Very high87.1Confident0 Ų034.5 Ų34.50%021%0.207CC..EExtended strand (participates in β ladder)trans-93.7127174.9-168.60000108.8Y123 A129 L130 P169 Y223 K226 E227 N229Y123-V167 HydrophobicContact CD2-CG1 4.48Å; Y123-V167 HydrophobicContact CE2-CG1 4.23Å; Y123-V167 HydrophobicContact CE2-CG2 3.55Å; Y123-V167 WeakPolarHBondContact OH-CG2 3.17Å; A129-V167 CarbonylContact O-C 3.58Å; L130-V167 HydrophobicContact CD1-CG2 4.02Å; V167-P169 VanDerWaalsContact C-CD 3.44Å; V167-P169 WeakPolarHBondContact O-CD 3.17Å; V167-Y223 HydrophobicContact CG1-CD1 4.09Å; V167-Y223 HydrophobicContact CG1-CE1 4.48Å; V167-K226 HydrophobicContact CG2-CB 4.39Å; V167-E227 HydrophobicContact CG2-CB 4.25Å; V167-E227 HydrophobicContact CG2-CG 3.48Å; V167-E227 VanDerWaalsContact CG2-CG 3.48Å; V167-N229 PolarHBondContact N-OD1 3.06Å; V167-N229 PolarHBondContact O-ND2 3.03Å; V167-N229 PolarHBondContact O-OD1 2.96Å
168Y96.9Very high88.9Confident0 Ų037.3 Ų37.30%021%0.209CC..EExtended strand (participates in β ladder)trans-111.381.2175.3-169.9-108.6000110.7V115 A129 G171 A172 I197 L213 G214 S215 M218V115-Y168 HydrophobicContact CB-CD1 3.99Å; V115-Y168 HydrophobicContact CB-CE1 4.04Å; V115-Y168 HydrophobicContact CG1-CD1 4.2Å; V115-Y168 HydrophobicContact CG2-CD1 4.09Å; V115-Y168 HydrophobicContact CG2-CE1 3.69Å; A129-Y168 PolarHBondContact N-O 3.46Å; A129-Y168 PolarHBondContact O-N 2.86Å; Y168-G171 VanDerWaalsContact CE1-CA 3.48Å; Y168-A172 PolarHBondContact OH-O 3.06Å; Y168-I197 HydrophobicContact CD1-CG2 4.38Å; Y168-I197 HydrophobicContact CD2-CD1 3.79Å; Y168-I197 HydrophobicContact CE1-CB 4.23Å; Y168-I197 HydrophobicContact CE1-CG2 3.8Å; Y168-I197 HydrophobicContact CE2-CB 3.87Å; Y168-I197 HydrophobicContact CE2-CD1 3.99Å; Y168-I197 HydrophobicContact CE2-CG1 4.39Å; Y168-I197 HydrophobicContact CE2-CG2 4.35Å; Y168-I197 HydrophobicContact CG-CD1 4.1Å; Y168-L213 HydrophobicContact CE2-CD2 4.45Å; Y168-G214 WeakPolarHBondContact OH-CA 3.14Å; Y168-G214 PolarHBondContact OH-N 3.22Å; Y168-G214 PolarHBondContact OH-O 2.83Å; Y168-S215 PolarHBondContact OH-N 3.3Å; Y168-M218 HydrophobicContact CD2-SD 4.06Å
169P96.3Very high90.5Very high0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-83.3135.2-173.233-35.6000112.6K127 E128 V167 G171 S215 H217 Y223K127-P169 CarbonylContact O-C 3.51Å; K127-P169 WeakPolarHBondContact O-CA 3.41Å; E128-P169 HydrophobicContact CG-CB 4.34Å; V167-P169 VanDerWaalsContact C-CD 3.44Å; V167-P169 WeakPolarHBondContact O-CD 3.17Å; P169-G171 PolarHBondContact O-N 3.45Å; P169-G171 VanDerWaalsContact O-N 3.07Å; P169-S215 PolarHBondContact O-OG 3.29Å; P169-H217 HydrophobicContact CB-CB 4.23Å; P169-H217 HydrophobicContact CG-CB 3.67Å; P169-Y223 HydrophobicContact CB-CD1 4.16Å; P169-Y223 HydrophobicContact CB-CD2 4.14Å; P169-Y223 HydrophobicContact CB-CE1 3.9Å; P169-Y223 HydrophobicContact CB-CE2 3.88Å; P169-Y223 HydrophobicContact CB-CG 4.29Å; P169-Y223 HydrophobicContact CG-CD1 4Å; P169-Y223 HydrophobicContact CG-CD2 3.66Å; P169-Y223 HydrophobicContact CG-CE1 4.24Å; P169-Y223 HydrophobicContact CG-CE2 3.9Å; P169-Y223 HydrophobicContact CG-CG 3.72Å
170F96.6Very high91.7Very high41 Ų4137.1 Ų37.118%0.1820%0.199CC..THydrogen-bonded Turntrans47.942.1170.9-55-80.3000113.5E89 H125 K127 E128E89-F170 WeakPolarHBondContact CB-O 3.36Å; E89-F170 HydrophobicContact CG-CB 4.09Å; E89-F170 PolarHBondContact N-O 2.92Å; H125-F170 HydrophobicContact CB-CZ 4.35Å; H125-F170 AromaticContact CE1-CE1 3.45Å; H125-F170 VanDerWaalsContact CE1-CE1 3.45Å; H125-F170 WeakPolarHBondContact CE1-CE1 3.27Å; H125-F170 AromaticContact CG-CE1 3.94Å; H125-F170 AromaticContact CG-CZ 3.88Å; H125-F170 AromaticContact ND1-CE1 3.44Å; H125-F170 WeakPolarHBondContact ND1-CE1 3.4Å; H125-F170 AromaticContact ND1-CZ 3.77Å; H125-F170 AromaticContact NE2-CE1 3.92Å; K127-F170 HydrophobicContact CB-CD1 3.9Å; K127-F170 HydrophobicContact CB-CE1 4.2Å; K127-F170 HydrophobicContact CB-CG 4.5Å; K127-F170 HydrophobicContact CD-CD1 4.11Å; K127-F170 PolarHBondContact O-N 2.79Å; E128-F170 HydrophobicContact CG-CE2 4.11Å; E128-F170 HydrophobicContact CG-CZ 4.46Å
171G96.2Very high92.5Very high0 Ų033.8 Ų33.80%018%0.182CC..  trans-104.8155.7-177.800000113.6A114 V115 Y168 P169 G214A114-G171 WeakPolarHBondContact CA-O 3.35Å; V115-G171 PolarHBondContact N-O 2.98Å; Y168-G171 VanDerWaalsContact CE1-CA 3.48Å; P169-G171 PolarHBondContact O-N 3.45Å; P169-G171 VanDerWaalsContact O-N 3.07Å; G171-G214 CarbonylContact C-O 3.56Å; G171-G214 WeakPolarHBondContact CA-O 3.45Å
172A96.8Very high93.3Very high0 Ų032.9 Ų32.90%018%0.175CC..  trans-94.3165.8168.100000110.8G88 V110 N111 D113 Y168 G214G88-A172 WeakPolarHBondContact O-CB 3.29Å; V110-A172 HydrophobicContact CG1-CB 3.93Å; N111-A172 WeakPolarHBondContact O-CB 3.35Å; D113-A172 WeakPolarHBondContact OD1-CA 3.4Å; Y168-A172 PolarHBondContact OH-O 3.06Å; A172-G214 PolarHBondContact N-O 3.47Å
173T96.7Very high93.9Very high0 Ų026.4 Ų26.40%014%0.144CC..  trans-89165.6168.469.80000111.6N111 D113 V115 T186 P192 R195 P196N111-T173 WeakPolarHBondContact CB-O 3.42Å; N111-T173 PolarHBondContact N-O 3.17Å; N111-T173 PolarHBondContact ND2-O 2.78Å; N111-T173 PolarHBondContact ND2-OG1 2.71Å; D113-T173 PolarHBondContact OD1-N 3.27Å; D113-T173 PolarHBondContact OD1-OG1 2.9Å; D113-T173 PolarHBondContact OD2-OG1 2.73Å; V115-T173 HydrophobicContact CG2-CG2 3.55Å; T173-T186 HydrophobicContact CG2-CG2 3.93Å; T173-P192 HydrophobicContact CG2-CG 3.59Å; T173-R195 HydrophobicContact CG2-CB 3.75Å; T173-R195 HydrophobicContact CG2-CG 4.49Å; T173-P196 CarbonylContact C-O 3.6Å; T173-P196 WeakPolarHBondContact CA-O 3.16Å
174L96.7Very high94.6Very high0 Ų025.5 Ų25.50%014%0.137CC..EExtended strand (participates in β ladder)trans-112.9144176.8-52179.8000110I108 M109 V110 V176 P196 I197 A199 V212I108-L174 HydrophobicContact CG2-CD1 4.47Å; M109-L174 CarbonylContact O-C 3.58Å; M109-L174 VanDerWaalsContact O-CA 3.31Å; M109-L174 WeakPolarHBondContact O-CA 3.33Å; V110-L174 HydrophobicContact CB-CD2 4.16Å; V110-L174 HydrophobicContact CG1-CD2 4.21Å; V110-L174 HydrophobicContact CG2-CD2 3.74Å; L174-V176 HydrophobicContact CB-CG2 3.95Å; L174-P196 HydrophobicContact CB-CB 4.18Å; L174-P196 PolarHBondContact N-O 3.42Å; L174-I197 VanDerWaalsContact CD1-C 3.49Å; L174-I197 WeakPolarHBondContact CD1-O 3.48Å; L174-A199 HydrophobicContact CD1-CB 3.99Å; L174-V212 HydrophobicContact CD1-CB 4.32Å; L174-V212 HydrophobicContact CD1-CG1 4.12Å; L174-V212 WeakPolarHBondContact CD1-O 3.09Å; L174-V212 HydrophobicContact CD2-CG1 4.02Å
175S95.4Very high94.9Very high38 Ų3825.6 Ų25.627%0.26614%0.138SC..EExtended strand (participates in β ladder)trans-98.9121.1163.2-650000107.5I108 M109 N111 R195I108-S175 CarbonylContact C-O 3.46Å; I108-S175 WeakPolarHBondContact CA-O 3.18Å; M109-S175 PolarHBondContact N-O 3.41Å; M109-S175 PolarHBondContact O-N 2.9Å; N111-S175 PolarHBondContact ND2-OG 2.88Å; N111-S175 VanDerWaalsContact ND2-OG 3.09Å; N111-S175 PolarHBondContact OD1-OG 3.31Å; S175-R195 PolarHBondContact OG-NH2 3.17Å
176V94.9Very high95Very high32 Ų3223.6 Ų23.619%0.19413%0.126CC..EExtended strand (participates in β ladder)trans-125.8129.7-171.4-173.10000108.7G107 L174 A180 A182 P196 A199G107-V176 CarbonylContact O-C 3.39Å; G107-V176 WeakPolarHBondContact O-CA 3.48Å; L174-V176 HydrophobicContact CB-CG2 3.95Å; V176-A180 HydrophobicContact CG1-CB 3.83Å; V176-A182 HydrophobicContact CB-CB 4.35Å; V176-A182 HydrophobicContact CG1-CB 4.36Å; V176-A182 HydrophobicContact CG2-CB 4.3Å; V176-P196 HydrophobicContact CG2-CB 3.74Å; V176-P196 HydrophobicContact CG2-CG 4.14Å; V176-A199 HydrophobicContact CG1-CB 4.1Å; V176-A199 HydrophobicContact CG2-CB 3.61Å
177M92.9Very high94.8Very high130 Ų13023.7 Ų23.764%0.6413%0.126SC*.  trans-135.3159.8175.262-179.1-72.300109.9G107 A180G107-M177 VanDerWaalsContact CA-CG 3.48Å; G107-M177 PolarHBondContact O-N 3.27Å; M177-A180 PolarHBondContact O-N 3.27Å
178K90.6Very high94.5Very high141 Ų14126.8 Ų26.861%0.61315%0.148SC*.THydrogen-bonded Turntrans-58134.8175.1-67.1-169.8179.8-178.70109
179P91.4Very high94.1Very high76 Ų7629.6 Ų29.649%0.49417%0.165SC..THydrogen-bonded Turncis-88.5-4.220.334.6-37.4000117Y201P179-Y201 HydrophobicContact CB-CD2 4.09Å; P179-Y201 HydrophobicContact CB-CE2 3.84Å; P179-Y201 HydrophobicContact CG-CD2 3.78Å; P179-Y201 HydrophobicContact CG-CE2 3.48Å; P179-Y201 VanDerWaalsContact CG-CE2 3.48Å
180A94.1Very high93.8Very high6 Ų629.6 Ų29.65%0.0517%0.165CC..SBendtrans-76.8160.3177.200000113Y106 I108 V176 M177 F200Y106-A180 VanDerWaalsContact O-CB 3.29Å; Y106-A180 WeakPolarHBondContact O-CB 3.26Å; Y106-A180 PolarHBondContact O-N 3.06Å; I108-A180 HydrophobicContact CD1-CB 3.71Å; I108-A180 HydrophobicContact CG1-CB 3.34Å; V176-A180 HydrophobicContact CG1-CB 3.83Å; M177-A180 PolarHBondContact O-N 3.27Å; A180-F200 WeakPolarHBondContact CA-O 2.87Å
181V94.4Very high93.5Very high27 Ų2730.2 Ų30.216%0.16417%0.168CC..EExtended strand (participates in β ladder)trans-127.3128.9-177.7178.40000109.4V183 A199 F200 L247 A252V181-V183 HydrophobicContact CG1-CG1 4.46Å; V181-A199 CarbonylContact O-C 3.52Å; V181-A199 WeakPolarHBondContact O-CA 3.45Å; V181-F200 PolarHBondContact N-O 3.37Å; V181-F200 PolarHBondContact O-N 3.42Å; V181-L247 HydrophobicContact CB-CD1 4.41Å; V181-L247 HydrophobicContact CG1-CD1 4.33Å; V181-A252 HydrophobicContact CB-CB 4.41Å; V181-A252 HydrophobicContact CG1-CB 3.54Å; V181-A252 HydrophobicContact CG2-CB 3.94Å
182A95Very high93.4Very high3 Ų330.6 Ų30.63%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-78.513217300000110.2L136 V176 P196L136-A182 HydrophobicContact CD1-CB 3.67Å; V176-A182 HydrophobicContact CB-CB 4.35Å; V176-A182 HydrophobicContact CG1-CB 4.36Å; V176-A182 HydrophobicContact CG2-CB 4.3Å; A182-P196 HydrophobicContact CB-CB 3.9Å; A182-P196 HydrophobicContact CB-CG 3.94Å
183V94.2Very high93.1Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-119.3-26-176.4-65.20000113.8L136 N137 I140 V181 L198 F200 L247L136-V183 WeakPolarHBondContact CB-O 2.79Å; L136-V183 PolarHBondContact N-O 3.06Å; N137-V183 HydrophobicContact CB-CG1 4.41Å; I140-V183 HydrophobicContact CD1-CB 4.35Å; I140-V183 HydrophobicContact CG1-CB 4.26Å; V181-V183 HydrophobicContact CG1-CG1 4.46Å; V183-L198 HydrophobicContact CG2-CB 3.91Å; V183-L198 HydrophobicContact CG2-CD2 3.59Å; V183-L198 HydrophobicContact CG2-CG 3.44Å; V183-L198 VanDerWaalsContact CG2-CG 3.44Å; V183-L198 WeakPolarHBondContact CG2-O 3.34Å; V183-L198 PolarHBondContact N-O 3.25Å; V183-F200 HydrophobicContact CB-CD2 4.39Å; V183-F200 HydrophobicContact CB-CE2 4.48Å; V183-F200 HydrophobicContact CG1-CB 4.38Å; V183-F200 HydrophobicContact CG1-CD2 3.63Å; V183-F200 HydrophobicContact CG1-CE2 4.12Å; V183-F200 HydrophobicContact CG1-CG 4.12Å; V183-F200 HydrophobicContact CG2-CD1 4.29Å; V183-F200 HydrophobicContact CG2-CD2 4.03Å; V183-F200 HydrophobicContact CG2-CE1 4.24Å; V183-F200 HydrophobicContact CG2-CE2 3.98Å; V183-F200 HydrophobicContact CG2-CG 4.18Å; V183-F200 HydrophobicContact CG2-CZ 4.08Å; V183-L247 HydrophobicContact CG1-CD1 4.25Å; V183-L247 HydrophobicContact CG1-CD2 4.08Å
184L95.3Very high92.9Very high1 Ų136.2 Ų36.21%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-128.4149.4169.4-60.9174.2000110.8G134 V135 I140 F166 P196 I197 L198 I232G134-L184 CarbonylContact O-C 3.55Å; G134-L184 WeakPolarHBondContact O-CA 3.38Å; V135-L184 HydrophobicContact CG2-CD2 4.19Å; I140-L184 HydrophobicContact CG2-CD2 4.42Å; F166-L184 HydrophobicContact CE1-CD1 4.46Å; F166-L184 HydrophobicContact CE1-CD2 4.1Å; F166-L184 HydrophobicContact CZ-CB 4.44Å; F166-L184 HydrophobicContact CZ-CD1 4.19Å; F166-L184 HydrophobicContact CZ-CD2 4.29Å; L184-P196 CarbonylContact O-C 3.23Å; L184-P196 WeakPolarHBondContact O-CA 3.48Å; L184-I197 HydrophobicContact CB-CD1 4.03Å; L184-I197 HydrophobicContact CB-CG1 3.66Å; L184-I197 WeakPolarHBondContact O-CG1 3.23Å; L184-I197 PolarHBondContact O-N 2.84Å; L184-L198 HydrophobicContact CB-CB 3.86Å; L184-L198 HydrophobicContact CD1-CB 4.02Å; L184-L198 HydrophobicContact CD1-CD2 3.66Å; L184-L198 HydrophobicContact CG-CB 4.09Å; L184-L198 HydrophobicContact CG-CD2 4.02Å; L184-L198 PolarHBondContact N-O 2.65Å; L184-L198 PolarHBondContact O-N 3.44Å; L184-I232 HydrophobicContact CD1-CD1 4.28Å; L184-I232 HydrophobicContact CD1-CG2 3.9Å; L184-I232 HydrophobicContact CD2-CD1 4.48Å
185S95.5Very high92.8Very high1 Ų137.3 Ų37.31%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-123.1169.9173.6750000112.4G134 G187 R195 I197G134-S185 WeakPolarHBondContact CA-O 3.26Å; G134-S185 PolarHBondContact O-N 3.47Å; S185-G187 PolarHBondContact O-N 2.93Å; S185-G187 PolarHBondContact OG-N 2.69Å; S185-R195 CarbonylContact C-O 3.59Å; S185-R195 WeakPolarHBondContact CA-O 3.44Å; S185-R195 WeakPolarHBondContact CB-O 3.09Å; S185-I197 VanDerWaalsContact O-CD1 3.29Å; S185-I197 WeakPolarHBondContact O-CD1 3.34Å
186T93.9Very high92.8Very high0 Ų035.6 Ų35.60%019%0.192CC..  trans-66.1-12.6169.552.30000113.6V115 T173 C190 P192 N194 R195 I197V115-T186 HydrophobicContact CB-CG2 4.34Å; V115-T186 HydrophobicContact CG1-CG2 3.75Å; V115-T186 HydrophobicContact CG2-CG2 3.56Å; T173-T186 HydrophobicContact CG2-CG2 3.93Å; T186-C190 WeakPolarHBondContact O-CB 3.26Å; T186-C190 PolarHBondContact O-SG 2.76Å; T186-P192 VanDerWaalsContact CB-O 3.31Å; T186-P192 WeakPolarHBondContact CB-O 3.28Å; T186-P192 PolarHBondContact OG1-O 2.95Å; T186-N194 PolarHBondContact OG1-N 3.4Å; T186-N194 VanDerWaalsContact OG1-N 3.14Å; T186-R195 HydrophobicContact CG2-CB 4.32Å; T186-R195 PolarHBondContact N-O 2.91Å; T186-R195 PolarHBondContact OG1-N 3.48Å; T186-I197 HydrophobicContact CG2-CG2 3.46Å; T186-I197 VanDerWaalsContact CG2-CG2 3.46Å
187G91.4Very high92.9Very high1 Ų134.1 Ų34.11%0.0118%0.183CC..  trans65.3-167.6-176.500000114.3S133 S185 N194S133-G187 VanDerWaalsContact O-CA 3.22Å; S133-G187 WeakPolarHBondContact O-CA 3.43Å; S185-G187 PolarHBondContact O-N 2.93Å; S185-G187 PolarHBondContact OG-N 2.69Å; G187-N194 WeakPolarHBondContact CA-OD1 3.38Å; G187-N194 PolarHBondContact O-N 2.82Å; G187-N194 PolarHBondContact O-OD1 2.96Å
188S88.7Confident93.1Very high66 Ų6628 Ų2846%0.46215%0.153SC..SBendtrans-87.7-4.9-17160.60000115S133 L193 N194S133-S188 PolarHBondContact OG-N 3.21Å; S133-S188 PolarHBondContact OG-OG 3.12Å; S188-L193 VanDerWaalsContact C-CD2 3.45Å; S188-L193 WeakPolarHBondContact O-CD2 3.37Å; S188-N194 PolarHBondContact N-OD1 2.94Å
189V88Confident93.4Very high58 Ų5821.3 Ų21.335%0.35212%0.124SC..SBendtrans-115-1.1-172.6-164.30000112.5N118N118-V189 PolarHBondContact N-O 3.26Å; N118-V189 VanDerWaalsContact N-O 3.07Å
190C91.5Very high93.6Very high1 Ų117.8 Ų17.81%0.00710%0.101CC..EExtended strand (participates in β ladder)trans-116.7155.8178-55.10000110.8V115 V116 T186 P192 L193V115-C190 HydrophobicContact CG1-CB 3.82Å; V116-C190 CarbonylContact O-C 3.6Å; V116-C190 WeakPolarHBondContact O-CA 3.24Å; T186-C190 WeakPolarHBondContact O-CB 3.26Å; T186-C190 PolarHBondContact O-SG 2.76Å; C190-P192 CarbonylContact O-C 3.05Å; C190-L193 WeakPolarHBondContact O-CA 3.4Å; C190-L193 WeakPolarHBondContact O-CD2 3.27Å; C190-L193 WeakPolarHBondContact O-CG 3.5Å; C190-L193 PolarHBondContact O-N 2.78Å
191F90.6Very high93.6Very high54 Ų5419 Ų1924%0.23710%0.104CC..EExtended strand (participates in β ladder)trans-112.7133.8173.6-170.9-87.9000110.4V115 V116 N118 L263V115-F191 WeakPolarHBondContact CA-O 3.47Å; V116-F191 HydrophobicContact CG2-CB 3.98Å; V116-F191 PolarHBondContact N-O 3.24Å; V116-F191 PolarHBondContact O-N 3.34Å; N118-F191 WeakPolarHBondContact OD1-CB 3.26Å; F191-L263 HydrophobicContact CD1-CD1 3.81Å; F191-L263 HydrophobicContact CD2-CD1 4.46Å; F191-L263 HydrophobicContact CE1-CD1 3.28Å; F191-L263 HydrophobicContact CE1-CG 3.66Å; F191-L263 HydrophobicContact CE2-CD1 4.01Å; F191-L263 HydrophobicContact CE2-CD2 4.4Å; F191-L263 HydrophobicContact CE2-CG 4.04Å; F191-L263 HydrophobicContact CG-CD1 4.39Å; F191-L263 HydrophobicContact CZ-CB 4.46Å; F191-L263 HydrophobicContact CZ-CD1 3.44Å; F191-L263 VanDerWaalsContact CZ-CD1 3.44Å; F191-L263 HydrophobicContact CZ-CD2 4.16Å; F191-L263 HydrophobicContact CZ-CG 3.36Å
192P92.4Very high93.4Very high8 Ų822.4 Ų22.45%0.05212%0.118CC..SBendcis-69.6146.2-431.7-37.6000112.2T173 T186 C190 R195 Y260T173-P192 HydrophobicContact CG2-CG 3.59Å; T186-P192 VanDerWaalsContact CB-O 3.31Å; T186-P192 WeakPolarHBondContact CB-O 3.28Å; T186-P192 PolarHBondContact OG1-O 2.95Å; C190-P192 CarbonylContact O-C 3.05Å; P192-R195 HydrophobicContact CB-CG 3.75Å; P192-R195 HydrophobicContact CG-CB 4.15Å; P192-R195 HydrophobicContact CG-CG 3.69Å; P192-Y260 HydrophobicContact CG-CE2 4.16Å
193L91Very high92.9Very high69 Ų6922.6 Ų22.636%0.36112%0.119SC..THydrogen-bonded Turntrans-72.7141.4-173-68.5159.7000111.7S188 C190 R195S188-L193 VanDerWaalsContact C-CD2 3.45Å; S188-L193 WeakPolarHBondContact O-CD2 3.37Å; C190-L193 WeakPolarHBondContact O-CA 3.4Å; C190-L193 WeakPolarHBondContact O-CD2 3.27Å; C190-L193 WeakPolarHBondContact O-CG 3.5Å; C190-L193 PolarHBondContact O-N 2.78Å; L193-R195 PolarHBondContact O-N 3.13Å
194N92Very high91.9Very high48 Ų4832.2 Ų32.226%0.25716%0.161SC..THydrogen-bonded Turntrans45.540.4173.9-62.2-26.1000114.3T186 G187 S188 I257 S258T186-N194 PolarHBondContact OG1-N 3.4Å; T186-N194 VanDerWaalsContact OG1-N 3.14Å; G187-N194 WeakPolarHBondContact CA-OD1 3.38Å; G187-N194 PolarHBondContact O-N 2.82Å; G187-N194 PolarHBondContact O-OD1 2.96Å; S188-N194 PolarHBondContact N-OD1 2.94Å; N194-I257 CarbonylContact O-C 3.42Å; N194-I257 VanDerWaalsContact O-CA 3.3Å; N194-I257 WeakPolarHBondContact O-CA 3.22Å; N194-S258 WeakPolarHBondContact CB-OG 3.49Å; N194-S258 PolarHBondContact O-N 3.38Å
195R94.5Very high90.6Very high24 Ų2439.4 Ų39.49%0.09120%0.2CC..  trans-97.3141176.7-72.8-59.8-61.8-178.4-11.4110.8T173 S175 S185 T186 P192 L193 S258 Y260T173-R195 HydrophobicContact CG2-CB 3.75Å; T173-R195 HydrophobicContact CG2-CG 4.49Å; S175-R195 PolarHBondContact OG-NH2 3.17Å; S185-R195 CarbonylContact C-O 3.59Å; S185-R195 WeakPolarHBondContact CA-O 3.44Å; S185-R195 WeakPolarHBondContact CB-O 3.09Å; T186-R195 HydrophobicContact CG2-CB 4.32Å; T186-R195 PolarHBondContact N-O 2.91Å; T186-R195 PolarHBondContact OG1-N 3.48Å; P192-R195 HydrophobicContact CB-CG 3.75Å; P192-R195 HydrophobicContact CG-CB 4.15Å; P192-R195 HydrophobicContact CG-CG 3.69Å; L193-R195 PolarHBondContact O-N 3.13Å; R195-S258 WeakPolarHBondContact CD-O 2.93Å; R195-S258 PolarHBondContact NH1-O 3.07Å; R195-Y260 HydrophobicContact CG-CD2 4.33Å
196P96.3Very high89.4Confident1 Ų144.4 Ų44.41%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-56141176.9-25.934.5000112.6T173 L174 V176 A182 L184 I257T173-P196 CarbonylContact C-O 3.6Å; T173-P196 WeakPolarHBondContact CA-O 3.16Å; L174-P196 HydrophobicContact CB-CB 4.18Å; L174-P196 PolarHBondContact N-O 3.42Å; V176-P196 HydrophobicContact CG2-CB 3.74Å; V176-P196 HydrophobicContact CG2-CG 4.14Å; A182-P196 HydrophobicContact CB-CB 3.9Å; A182-P196 HydrophobicContact CB-CG 3.94Å; L184-P196 CarbonylContact O-C 3.23Å; L184-P196 WeakPolarHBondContact O-CA 3.48Å; P196-I257 HydrophobicContact CG-CG2 3.91Å
197I96.7Very high88.8Confident1 Ų146 Ų461%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-129.9-19.4175.259.7171.3000113.2F166 Y168 L174 L184 S185 T186 G214F166-I197 HydrophobicContact CE2-CD1 3.58Å; F166-I197 HydrophobicContact CZ-CD1 3.81Å; Y168-I197 HydrophobicContact CD1-CG2 4.38Å; Y168-I197 HydrophobicContact CD2-CD1 3.79Å; Y168-I197 HydrophobicContact CE1-CB 4.23Å; Y168-I197 HydrophobicContact CE1-CG2 3.8Å; Y168-I197 HydrophobicContact CE2-CB 3.87Å; Y168-I197 HydrophobicContact CE2-CD1 3.99Å; Y168-I197 HydrophobicContact CE2-CG1 4.39Å; Y168-I197 HydrophobicContact CE2-CG2 4.35Å; Y168-I197 HydrophobicContact CG-CD1 4.1Å; L174-I197 VanDerWaalsContact CD1-C 3.49Å; L174-I197 WeakPolarHBondContact CD1-O 3.48Å; L184-I197 HydrophobicContact CB-CD1 4.03Å; L184-I197 HydrophobicContact CB-CG1 3.66Å; L184-I197 WeakPolarHBondContact O-CG1 3.23Å; L184-I197 PolarHBondContact O-N 2.84Å; S185-I197 VanDerWaalsContact O-CD1 3.29Å; S185-I197 WeakPolarHBondContact O-CD1 3.34Å; T186-I197 HydrophobicContact CG2-CG2 3.46Å; T186-I197 VanDerWaalsContact CG2-CG2 3.46Å; I197-G214 PolarHBondContact O-N 2.73Å
198L96.9Very high88.7Confident3 Ų345.9 Ų45.92%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-135.3129.6172.817961.4000108.7V183 L184 F200 V212 L213 V236V183-L198 HydrophobicContact CG2-CB 3.91Å; V183-L198 HydrophobicContact CG2-CD2 3.59Å; V183-L198 HydrophobicContact CG2-CG 3.44Å; V183-L198 VanDerWaalsContact CG2-CG 3.44Å; V183-L198 WeakPolarHBondContact CG2-O 3.34Å; V183-L198 PolarHBondContact N-O 3.25Å; L184-L198 HydrophobicContact CB-CB 3.86Å; L184-L198 HydrophobicContact CD1-CB 4.02Å; L184-L198 HydrophobicContact CD1-CD2 3.66Å; L184-L198 HydrophobicContact CG-CB 4.09Å; L184-L198 HydrophobicContact CG-CD2 4.02Å; L184-L198 PolarHBondContact N-O 2.65Å; L184-L198 PolarHBondContact O-N 3.44Å; L198-F200 HydrophobicContact CD1-CD1 4.45Å; L198-F200 HydrophobicContact CD1-CE1 3.93Å; L198-F200 HydrophobicContact CD2-CE1 4.03Å; L198-F200 HydrophobicContact CD2-CZ 4.1Å; L198-F200 HydrophobicContact CG-CE1 4Å; L198-V212 WeakPolarHBondContact CA-O 3.5Å; L198-V212 WeakPolarHBondContact CD1-O 3.45Å; L198-L213 HydrophobicContact CD1-CB 3.82Å; L198-L213 HydrophobicContact CD1-CD1 3.95Å; L198-L213 HydrophobicContact CD1-CG 4.1Å; L198-V236 HydrophobicContact CD2-CG2 3.63Å
199A96.6Very high89Confident0 Ų043.7 Ų43.70%022%0.221CC..EExtended strand (participates in β ladder)trans-129.9143.717900000110.9I108 L174 V176 V181 A211 V212I108-A199 HydrophobicContact CD1-CB 3.8Å; I108-A199 HydrophobicContact CG1-CB 4.02Å; I108-A199 HydrophobicContact CG2-CB 4.19Å; L174-A199 HydrophobicContact CD1-CB 3.99Å; V176-A199 HydrophobicContact CG1-CB 4.1Å; V176-A199 HydrophobicContact CG2-CB 3.61Å; V181-A199 CarbonylContact O-C 3.52Å; V181-A199 WeakPolarHBondContact O-CA 3.45Å; A199-A211 WeakPolarHBondContact O-CA 3.39Å; A199-V212 PolarHBondContact N-O 2.99Å; A199-V212 PolarHBondContact O-N 3.05Å
200F95.8Very high89.4Confident2 Ų241.1 Ų41.11%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-117.8139.9177.5-72-14.4000110.5I140 A180 V181 V183 L198 L210 A211 V236 W239 L247I140-F200 HydrophobicContact CD1-CE2 4.01Å; A180-F200 WeakPolarHBondContact CA-O 2.87Å; V181-F200 PolarHBondContact N-O 3.37Å; V181-F200 PolarHBondContact O-N 3.42Å; V183-F200 HydrophobicContact CB-CD2 4.39Å; V183-F200 HydrophobicContact CB-CE2 4.48Å; V183-F200 HydrophobicContact CG1-CB 4.38Å; V183-F200 HydrophobicContact CG1-CD2 3.63Å; V183-F200 HydrophobicContact CG1-CE2 4.12Å; V183-F200 HydrophobicContact CG1-CG 4.12Å; V183-F200 HydrophobicContact CG2-CD1 4.29Å; V183-F200 HydrophobicContact CG2-CD2 4.03Å; V183-F200 HydrophobicContact CG2-CE1 4.24Å; V183-F200 HydrophobicContact CG2-CE2 3.98Å; V183-F200 HydrophobicContact CG2-CG 4.18Å; V183-F200 HydrophobicContact CG2-CZ 4.08Å; L198-F200 HydrophobicContact CD1-CD1 4.45Å; L198-F200 HydrophobicContact CD1-CE1 3.93Å; L198-F200 HydrophobicContact CD2-CE1 4.03Å; L198-F200 HydrophobicContact CD2-CZ 4.1Å; L198-F200 HydrophobicContact CG-CE1 4Å; F200-L210 CarbonylContact C-O 3.54Å; F200-L210 WeakPolarHBondContact CA-O 3.23Å; F200-A211 HydrophobicContact CD1-CB 3.66Å; F200-A211 HydrophobicContact CE1-CB 3.67Å; F200-V236 HydrophobicContact CE1-CG2 4.37Å; F200-V236 HydrophobicContact CZ-CG2 4.11Å; F200-W239 HydrophobicContact CB-CH2 3.57Å; F200-W239 HydrophobicContact CB-CZ2 3.68Å; F200-W239 HydrophobicContact CB-CZ3 4.05Å; F200-W239 HydrophobicContact CD1-CD2 4.37Å; F200-W239 AromaticContact CD1-CE3 3.81Å; F200-W239 HydrophobicContact CD1-CE3 3.81Å; F200-W239 HydrophobicContact CD1-CH2 4.14Å; F200-W239 AromaticContact CD1-CZ3 3.68Å; F200-W239 HydrophobicContact CD1-CZ3 3.68Å; F200-W239 AromaticContact CD2-CD2 3.64Å; F200-W239 HydrophobicContact CD2-CD2 3.64Å; F200-W239 AromaticContact CD2-CE2 3.65Å; F200-W239 AromaticContact CD2-CE3 3.94Å; F200-W239 HydrophobicContact CD2-CE3 3.94Å; F200-W239 HydrophobicContact CD2-CG 4.07Å; F200-W239 HydrophobicContact CD2-CH2 4.28Å; F200-W239 HydrophobicContact CD2-CZ2 4Å; F200-W239 HydrophobicContact CD2-CZ3 4.24Å; F200-W239 HydrophobicContact CE1-CD2 4.43Å; F200-W239 AromaticContact CE1-CE3 3.89Å; F200-W239 HydrophobicContact CE1-CE3 3.89Å; F200-W239 HydrophobicContact CE1-CZ3 4.19Å; F200-W239 HydrophobicContact CE2-CB 4.19Å; F200-W239 AromaticContact CE2-CD2 3.71Å; F200-W239 HydrophobicContact CE2-CD2 3.71Å; F200-W239 HydrophobicContact CE2-CE3 4.01Å; F200-W239 AromaticContact CE2-CG 3.76Å; F200-W239 HydrophobicContact CE2-CG 3.76Å; F200-W239 HydrophobicContact CG-CD2 4.01Å; F200-W239 AromaticContact CG-CE2 3.99Å; F200-W239 AromaticContact CG-CE3 3.86Å; F200-W239 HydrophobicContact CG-CE3 3.86Å; F200-W239 AromaticContact CG-CH2 3.75Å; F200-W239 HydrophobicContact CG-CH2 3.75Å; F200-W239 AromaticContact CG-CZ2 3.9Å; F200-W239 HydrophobicContact CG-CZ2 3.9Å; F200-W239 AromaticContact CG-CZ3 3.73Å; F200-W239 HydrophobicContact CG-CZ3 3.73Å; F200-W239 HydrophobicContact CZ-CB 4.39Å; F200-W239 HydrophobicContact CZ-CD2 4.13Å; F200-W239 AromaticContact CZ-CE3 4Å; F200-W239 HydrophobicContact CZ-CE3 4Å; F200-W239 HydrophobicContact CZ-CG 4.29Å; F200-L247 HydrophobicContact CB-CD1 4.29Å; F200-L247 HydrophobicContact CD2-CD1 4.14Å; F200-L247 HydrophobicContact CD2-CD2 4.12Å; F200-L247 HydrophobicContact CE2-CD2 4.48Å
201Y94.7Very high89.7Confident31 Ų3141.1 Ų41.112%0.12221%0.205CC..EExtended strand (participates in β ladder)trans-127130.9170.4165.5-94.2000109L77 Y106 P179 K209 L210 W239L77-Y201 HydrophobicContact CD2-CD1 4.21Å; L77-Y201 HydrophobicContact CD2-CE1 3.94Å; Y106-Y201 AromaticContact CD1-CD1 3.72Å; Y106-Y201 HydrophobicContact CD1-CD1 3.72Å; Y106-Y201 HydrophobicContact CD1-CD2 4.29Å; Y106-Y201 AromaticContact CD1-CE1 3.33Å; Y106-Y201 HydrophobicContact CD1-CE1 3.33Å; Y106-Y201 AromaticContact CD1-CE2 3.98Å; Y106-Y201 HydrophobicContact CD1-CE2 3.98Å; Y106-Y201 HydrophobicContact CD1-CG 4.16Å; Y106-Y201 AromaticContact CD1-CZ 3.48Å; Y106-Y201 VanDerWaalsContact CD1-CZ 3.48Å; Y106-Y201 HydrophobicContact CE1-CD1 4.38Å; Y106-Y201 AromaticContact CE1-CE1 3.72Å; Y106-Y201 HydrophobicContact CE1-CE1 3.72Å; Y106-Y201 HydrophobicContact CG-CD1 4.22Å; Y106-Y201 HydrophobicContact CG-CE1 4.27Å; Y106-Y201 HydrophobicContact CG-CG 4.41Å; P179-Y201 HydrophobicContact CB-CD2 4.09Å; P179-Y201 HydrophobicContact CB-CE2 3.84Å; P179-Y201 HydrophobicContact CG-CD2 3.78Å; P179-Y201 HydrophobicContact CG-CE2 3.48Å; P179-Y201 VanDerWaalsContact CG-CE2 3.48Å; Y201-K209 WeakPolarHBondContact O-CA 2.99Å; Y201-L210 HydrophobicContact CD1-CB 4Å; Y201-L210 PolarHBondContact N-O 2.92Å; Y201-L210 PolarHBondContact O-N 3.39Å; Y201-W239 WeakPolarHBondContact O-CH2 3.33Å
202H91.3Very high90Very high98 Ų9838.5 Ų38.545%0.45419%0.193SC..EExtended strand (participates in β ladder)trans-125.6121.2176.4-177.353.9000110K204 G207 G208 W239H202-K204 PolarHBondContact O-N 2.6Å; H202-G207 PolarHBondContact CE1-O 2.86Å; H202-G208 PolarHBondContact ND1-O 2.83Å; H202-W239 HydrophobicContact CB-CZ2 4.26Å
203S84.1Confident90.3Very high8 Ų838.2 Ų38.26%0.05619%0.191CC..  trans-73.9113.8177.2179.50000110.4N205 G207 G208S203-N205 PolarHBondContact O-N 2.67Å; S203-G207 WeakPolarHBondContact O-CA 3.45Å; S203-G207 PolarHBondContact O-N 2.56Å; S203-G208 PolarHBondContact N-O 3.05Å
204K73.4Confident90.5Very high201 Ų20134.9 Ų34.987%0.87417%0.174SC*.THydrogen-bonded Turntrans-61.8-25.7-179.8-66.8-176.7178.9-179.30113.6H202H202-K204 PolarHBondContact O-N 2.6Å
205N68.3Low90.8Very high153 Ų15332.6 Ų32.682%0.81816%0.162SC*.THydrogen-bonded Turntrans-91.8-38.1-171.9-66.1-9.9000112.9S203S203-N205 PolarHBondContact O-N 2.67Å
206Q70.1Confident90.8Very high105 Ų10531.5 Ų31.549%0.49116%0.157SC..THydrogen-bonded Turntrans-126.8-4.8-166.9-71.1165.2-20.600113.7D78 G208D78-Q206 WeakPolarHBondContact O-CB 3.38Å; D78-Q206 WeakPolarHBondContact O-CG 3.31Å; D78-Q206 PolarHBondContact O-OE1 3.37Å; D78-Q206 PolarHBondContact OD1-OE1 2.79Å; Q206-G208 VanDerWaalsContact C-N 3.32Å; Q206-G208 PolarHBondContact O-N 3.21Å
207G80.8Confident90.8Very high33 Ų3333.5 Ų33.534%0.3417%0.166SC..  trans810.7170.100000116.1H202 S203H202-G207 PolarHBondContact CE1-O 2.86Å; S203-G207 WeakPolarHBondContact O-CA 3.45Å; S203-G207 PolarHBondContact O-N 2.56Å
208G89.6Confident90.7Very high0 Ų033.5 Ų33.50%017%0.166CC..  trans-62.2145.5174.700000112.4L77 H202 S203 Q206L77-G208 WeakPolarHBondContact O-CA 3.44Å; H202-G208 PolarHBondContact ND1-O 2.83Å; S203-G208 PolarHBondContact N-O 3.05Å; Q206-G208 VanDerWaalsContact C-N 3.32Å; Q206-G208 PolarHBondContact O-N 3.21Å
209K94.6Very high90.7Very high20 Ų2033.3 Ų33.39%0.08717%0.166CC..EExtended strand (participates in β ladder)trans-124.2132.3-178.6-59.5-177.7-174.3-172.90111.2L77 D82 V83 Y201 W239 L240 T242L77-K209 WeakPolarHBondContact CD1-O 3.45Å; D82-K209 CarbonylContact C-O 3.56Å; D82-K209 VanDerWaalsContact CA-O 3.26Å; D82-K209 WeakPolarHBondContact CA-O 3.38Å; D82-K209 HydrophobicContact CB-CB 4.46Å; D82-K209 VanDerWaalsContact OD1-CB 3.3Å; D82-K209 WeakPolarHBondContact OD1-CB 3.34Å; D82-K209 PolarHBondContact OD1-N 2.8Å; V83-K209 PolarHBondContact N-O 3.04Å; Y201-K209 WeakPolarHBondContact O-CA 2.99Å; K209-W239 HydrophobicContact CB-CE3 4.47Å; K209-W239 HydrophobicContact CB-CH2 3.69Å; K209-W239 HydrophobicContact CB-CZ2 4.4Å; K209-W239 HydrophobicContact CB-CZ3 3.73Å; K209-W239 HydrophobicContact CD-CD2 4.32Å; K209-W239 HydrophobicContact CD-CE3 4.35Å; K209-W239 HydrophobicContact CD-CH2 4.26Å; K209-W239 HydrophobicContact CD-CZ2 4.22Å; K209-W239 HydrophobicContact CD-CZ3 4.33Å; K209-W239 WeakPolarHBondContact CD-O 3.22Å; K209-W239 WeakPolarHBondContact CE-O 3.33Å; K209-W239 HydrophobicContact CG-CH2 4.1Å; K209-W239 HydrophobicContact CG-CZ2 4.32Å; K209-W239 HydrophobicContact CG-CZ3 4.42Å; K209-W239 PolarHBondContact NZ-O 2.83Å; K209-L240 HydrophobicContact CB-CD2 4.01Å; K209-T242 PolarHBondContact NZ-O 2.82Å
210L95.9Very high90.6Very high4 Ų433.5 Ų33.52%0.02117%0.167CC..EExtended strand (participates in β ladder)trans-119.2127.7173.7167.967.3000108.7L77 V83 V85 L103 Y106 I108 F200 Y201 V212L77-L210 HydrophobicContact CD1-CB 4.16Å; L77-L210 HydrophobicContact CD2-CB 4.37Å; V83-L210 HydrophobicContact CB-CD1 3.83Å; V83-L210 HydrophobicContact CG1-CD1 3.54Å; V83-L210 CarbonylContact O-C 3.59Å; V83-L210 WeakPolarHBondContact O-CA 3Å; V85-L210 HydrophobicContact CG2-CD1 4.23Å; L103-L210 HydrophobicContact CD2-CD1 4.26Å; L103-L210 HydrophobicContact CD2-CD2 4.12Å; Y106-L210 HydrophobicContact CD2-CD2 3.59Å; Y106-L210 HydrophobicContact CE2-CD2 4.37Å; Y106-L210 HydrophobicContact CG-CD2 3.78Å; I108-L210 HydrophobicContact CD1-CD2 4.43Å; F200-L210 CarbonylContact C-O 3.54Å; F200-L210 WeakPolarHBondContact CA-O 3.23Å; Y201-L210 HydrophobicContact CD1-CB 4Å; Y201-L210 PolarHBondContact N-O 2.92Å; Y201-L210 PolarHBondContact O-N 3.39Å; L210-V212 HydrophobicContact CD1-CG2 4.18Å; L210-V212 HydrophobicContact CD2-CG2 4.48Å; L210-V212 HydrophobicContact CG-CG2 4.18Å
211A97.3Very high90.5Very high0 Ų035.8 Ų35.80%018%0.179CC..EExtended strand (participates in β ladder)trans-117.6135.1169.800000109.8V83 L84 V85 A199 F200 W239 L240V83-A211 PolarHBondContact O-N 3.35Å; L84-A211 WeakPolarHBondContact CA-O 3.13Å; L84-A211 HydrophobicContact CD1-CB 3.77Å; V85-A211 PolarHBondContact N-O 3.28Å; A199-A211 WeakPolarHBondContact O-CA 3.39Å; F200-A211 HydrophobicContact CD1-CB 3.66Å; F200-A211 HydrophobicContact CE1-CB 3.67Å; A211-W239 HydrophobicContact CB-CZ3 4.18Å; A211-L240 HydrophobicContact CB-CD1 4.09Å; A211-L240 HydrophobicContact CB-CD2 3.91Å; A211-L240 HydrophobicContact CB-CG 4.25Å
212V97.9Very high90.4Very high0 Ų039.8 Ų39.80%020%0.199CC..EExtended strand (participates in β ladder)trans-123.8126.1177.1-176.50000109.1V85 L103 I108 V110 L174 L198 A199 L210V85-V212 HydrophobicContact CB-CG2 4.43Å; V85-V212 CarbonylContact O-C 3.29Å; V85-V212 VanDerWaalsContact O-CA 3.31Å; V85-V212 WeakPolarHBondContact O-CA 3.07Å; L103-V212 HydrophobicContact CD1-CG1 3.96Å; L103-V212 HydrophobicContact CD1-CG2 4.15Å; L103-V212 HydrophobicContact CD2-CG2 3.61Å; L103-V212 HydrophobicContact CG-CG2 4.44Å; I108-V212 HydrophobicContact CB-CG2 4.3Å; I108-V212 HydrophobicContact CD1-CB 4.27Å; I108-V212 HydrophobicContact CD1-CG2 3.68Å; I108-V212 HydrophobicContact CG2-CB 3.83Å; I108-V212 HydrophobicContact CG2-CG1 3.93Å; I108-V212 HydrophobicContact CG2-CG2 3.84Å; V110-V212 HydrophobicContact CG2-CG1 4.08Å; L174-V212 HydrophobicContact CD1-CB 4.32Å; L174-V212 HydrophobicContact CD1-CG1 4.12Å; L174-V212 WeakPolarHBondContact CD1-O 3.09Å; L174-V212 HydrophobicContact CD2-CG1 4.02Å; L198-V212 WeakPolarHBondContact CA-O 3.5Å; L198-V212 WeakPolarHBondContact CD1-O 3.45Å; A199-V212 PolarHBondContact N-O 2.99Å; A199-V212 PolarHBondContact O-N 3.05Å; L210-V212 HydrophobicContact CD1-CG2 4.18Å; L210-V212 HydrophobicContact CD2-CG2 4.48Å; L210-V212 HydrophobicContact CG-CG2 4.18Å
213L97.8Very high90.6Very high1 Ų135.2 Ų35.21%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-124.1128-179.5-165.2149.1000109.8V85 M86 L87 Y168 L198 S215 M218 F219V85-L213 PolarHBondContact O-N 3.14Å; M86-L213 VanDerWaalsContact CA-O 3.26Å; M86-L213 WeakPolarHBondContact CA-O 3.49Å; M86-L213 HydrophobicContact CG-CB 4.13Å; L87-L213 PolarHBondContact N-O 3.45Å; Y168-L213 HydrophobicContact CE2-CD2 4.45Å; L198-L213 HydrophobicContact CD1-CB 3.82Å; L198-L213 HydrophobicContact CD1-CD1 3.95Å; L198-L213 HydrophobicContact CD1-CG 4.1Å; L213-S215 VanDerWaalsContact C-N 3.26Å; L213-S215 VanDerWaalsContact CD2-C 3.44Å; L213-S215 VanDerWaalsContact CD2-N 3.28Å; L213-S215 WeakPolarHBondContact CD2-O 3.5Å; L213-S215 PolarHBondContact O-N 3.3Å; L213-M218 HydrophobicContact CD1-SD 4.12Å; L213-M218 HydrophobicContact CD2-CB 4.24Å; L213-M218 HydrophobicContact CD2-SD 4.29Å; L213-F219 HydrophobicContact CD1-CE2 3.73Å; L213-F219 HydrophobicContact CD1-CZ 3.71Å
214G96.6Very high91.1Very high0 Ų034.9 Ų34.90%018%0.175CC..SBendtrans-80.33.1-173.800000115.6L87 G88 Y168 G171 A172 I197L87-G214 CarbonylContact C-O 3.56Å; L87-G214 CarbonylContact O-C 3.51Å; G88-G214 WeakPolarHBondContact CA-O 3.42Å; Y168-G214 WeakPolarHBondContact OH-CA 3.14Å; Y168-G214 PolarHBondContact OH-N 3.22Å; Y168-G214 PolarHBondContact OH-O 2.83Å; G171-G214 CarbonylContact C-O 3.56Å; G171-G214 WeakPolarHBondContact CA-O 3.45Å; A172-G214 PolarHBondContact N-O 3.47Å; I197-G214 PolarHBondContact O-N 2.73Å
215S97.1Very high92Very high0 Ų030.4 Ų30.40%016%0.161CC..  trans-134.5104.1174.8175.80000114L87 Y168 P169 L213 H217 M218L87-S215 CarbonylContact O-C 3.54Å; L87-S215 VanDerWaalsContact O-C 3.23Å; L87-S215 WeakPolarHBondContact O-CA 3.43Å; L87-S215 PolarHBondContact O-N 3.09Å; L87-S215 VanDerWaalsContact O-N 3.09Å; Y168-S215 PolarHBondContact OH-N 3.3Å; P169-S215 PolarHBondContact O-OG 3.29Å; L213-S215 VanDerWaalsContact C-N 3.26Å; L213-S215 VanDerWaalsContact CD2-C 3.44Å; L213-S215 VanDerWaalsContact CD2-N 3.28Å; L213-S215 WeakPolarHBondContact CD2-O 3.5Å; L213-S215 PolarHBondContact O-N 3.3Å; S215-H217 PolarHBondContact O-N 3.06Å; S215-H217 PolarHBondContact OG-N 2.85Å; S215-M218 WeakPolarHBondContact O-CB 3.38Å; S215-M218 PolarHBondContact O-N 3.15Å; S215-M218 PolarHBondContact OG-N 3.27Å; S215-M218 VanDerWaalsContact OG-N 3.15Å
216C95.3Very high93.2Very high0 Ų026.2 Ų26.20%014%0.135CC..THydrogen-bonded Turntrans-66.7-20.4170.961.60000112.6F19 Y25 M86 L87F19-C216 HydrophobicContact CD2-CB 3.91Å; F19-C216 WeakPolarHBondContact CD2-O 3.35Å; F19-C216 HydrophobicContact CE2-CB 4.24Å; F19-C216 WeakPolarHBondContact CE2-O 3.45Å; Y25-C216 PolarHBondContact OH-O 2.87Å; M86-C216 HydrophobicContact CB-CB 3.98Å; L87-C216 PolarHBondContact O-N 3.18Å
217H95.9Very high94.3Very high43 Ų4324.3 Ų24.320%0.19913%0.127CC..THydrogen-bonded Turntrans-75.2-23.6177.8-70.7-91.9000113.1F19 P169 S215 F219 S220 Y223F19-H217 HydrophobicContact CE2-CB 4.48Å; F19-H217 AromaticContact CE2-CE1 3.9Å; F19-H217 AromaticContact CE2-CG 3.89Å; F19-H217 AromaticContact CE2-ND1 3.76Å; F19-H217 AromaticContact CZ-CE1 3.63Å; F19-H217 AromaticContact CZ-ND1 3.49Å; F19-H217 WeakPolarHBondContact CZ-ND1 3.44Å; P169-H217 HydrophobicContact CB-CB 4.23Å; P169-H217 HydrophobicContact CG-CB 3.67Å; S215-H217 PolarHBondContact O-N 3.06Å; S215-H217 PolarHBondContact OG-N 2.85Å; H217-F219 VanDerWaalsContact C-N 3.25Å; H217-F219 PolarHBondContact O-N 2.7Å; H217-S220 WeakPolarHBondContact O-CB 3.42Å; H217-S220 PolarHBondContact O-N 2.75Å; H217-S220 PolarHBondContact O-OG 3.22Å; H217-Y223 WeakPolarHBondContact O-CD2 3.33Å
218M95.9Very high94.9Very high1 Ų124.2 Ų24.21%0.00512%0.117CC..THydrogen-bonded Turntrans-56-38-177.4-174.1173.9-179.300113.1F166 Y168 L213 S215 N229 I232F166-M218 HydrophobicContact CB-CE 4.03Å; F166-M218 HydrophobicContact CD2-CE 3.48Å; F166-M218 VanDerWaalsContact CD2-CE 3.48Å; F166-M218 HydrophobicContact CE2-CE 4.18Å; F166-M218 HydrophobicContact CG-CE 3.92Å; Y168-M218 HydrophobicContact CD2-SD 4.06Å; L213-M218 HydrophobicContact CD1-SD 4.12Å; L213-M218 HydrophobicContact CD2-CB 4.24Å; L213-M218 HydrophobicContact CD2-SD 4.29Å; S215-M218 WeakPolarHBondContact O-CB 3.38Å; S215-M218 PolarHBondContact O-N 3.15Å; S215-M218 PolarHBondContact OG-N 3.27Å; S215-M218 VanDerWaalsContact OG-N 3.15Å; M218-N229 WeakPolarHBondContact CG-ND2 3.36Å; M218-N229 PolarHBondContact O-ND2 2.89Å; M218-I232 HydrophobicContact CE-CB 3.92Å; M218-I232 HydrophobicContact CE-CG1 4Å; M218-I232 HydrophobicContact CE-CG2 3.67Å
219F95.6Very high95.2Very high0 Ų024.2 Ų24.20%012%0.117CC..THydrogen-bonded Turntrans-100.410.4178-58.7-32.7000114.2Y25 M28 M86 L213 H217 L224 I232 M233 V236Y25-F219 WeakPolarHBondContact CD1-O 3.37Å; Y25-F219 HydrophobicContact CE1-CB 4.25Å; M28-F219 HydrophobicContact SD-CB 4.23Å; M86-F219 HydrophobicContact SD-CD2 3.7Å; M86-F219 HydrophobicContact SD-CE2 4.19Å; L213-F219 HydrophobicContact CD1-CE2 3.73Å; L213-F219 HydrophobicContact CD1-CZ 3.71Å; H217-F219 VanDerWaalsContact C-N 3.25Å; H217-F219 PolarHBondContact O-N 2.7Å; F219-L224 HydrophobicContact CD1-CD1 4.14Å; F219-I232 HydrophobicContact CE1-CG2 4.31Å; F219-I232 HydrophobicContact CZ-CG2 4.31Å; F219-M233 HydrophobicContact CD1-CB 3.79Å; F219-M233 HydrophobicContact CD1-CG 4.1Å; F219-M233 HydrophobicContact CE1-CB 3.56Å; F219-M233 HydrophobicContact CE1-CG 4.16Å; F219-M233 HydrophobicContact CG-CB 4.48Å; F219-M233 HydrophobicContact CG-CG 4.3Å; F219-M233 HydrophobicContact CZ-CB 4.06Å; F219-M233 HydrophobicContact CZ-CG 4.38Å; F219-V236 HydrophobicContact CZ-CG2 4.44Å
220S94.8Very high95.1Very high4 Ų424.5 Ų24.53%0.02812%0.122CC..SBendtrans-70.9158175.570.10000111.6G24 H217 Q222 Y223 L224G24-S220 CarbonylContact O-C 3.52Å; G24-S220 VanDerWaalsContact O-CA 3.26Å; G24-S220 WeakPolarHBondContact O-CA 3.46Å; H217-S220 WeakPolarHBondContact O-CB 3.42Å; H217-S220 PolarHBondContact O-N 2.75Å; H217-S220 PolarHBondContact O-OG 3.22Å; S220-Q222 PolarHBondContact O-N 3Å; S220-Y223 PolarHBondContact O-N 2.57Å; S220-Y223 WeakPolarHBondContact OG-CD2 3.41Å; S220-L224 WeakPolarHBondContact O-CB 3.43Å; S220-L224 PolarHBondContact O-N 3.16Å
221D93.8Very high95Very high49 Ų4927.5 Ų27.526%0.26214%0.135SC..THydrogen-bonded Turntrans-53.2-26.4-179.8-61.9-26.5000112.9G24 K26 S27G24-D221 VanDerWaalsContact C-OD2 3.29Å; G24-D221 PolarHBondContact O-N 3.33Å; K26-D221 WeakPolarHBondContact CB-OD2 3.26Å; K26-D221 PolarHBondContact N-OD1 3.13Å; K26-D221 PolarHBondContact N-OD2 3.24Å; K26-D221 VanDerWaalsContact N-OD2 3.17Å; S27-D221 WeakPolarHBondContact CB-OD1 3.48Å; S27-D221 PolarHBondContact N-OD1 3.09Å
222Q93.6Very high94.9Very high116 Ų11627.6 Ų27.654%0.54214%0.135SC..THydrogen-bonded Turntrans-76.5-27179.2-174.3176.48.100114.1S220 K226S220-Q222 PolarHBondContact O-N 3Å; Q222-K226 VanDerWaalsContact O-CD 3.28Å; Q222-K226 WeakPolarHBondContact O-CD 3.43Å; Q222-K226 WeakPolarHBondContact O-CE 3.29Å; Q222-K226 PolarHBondContact O-NZ 3.09Å
223Y94.8Very high94.7Very high2 Ų227.6 Ų27.61%0.00814%0.135CC..THydrogen-bonded Turntrans-122.8-15.1-172-58.2-83.8000114.2E128 V167 P169 H217 S220 D225 K226 N229E128-Y223 HydrophobicContact CG-CE1 4.1Å; E128-Y223 WeakPolarHBondContact OE1-CE1 3.44Å; E128-Y223 VanDerWaalsContact OE1-CZ 3.31Å; E128-Y223 PolarHBondContact OE1-OH 3.31Å; V167-Y223 HydrophobicContact CG1-CD1 4.09Å; V167-Y223 HydrophobicContact CG1-CE1 4.48Å; P169-Y223 HydrophobicContact CB-CD1 4.16Å; P169-Y223 HydrophobicContact CB-CD2 4.14Å; P169-Y223 HydrophobicContact CB-CE1 3.9Å; P169-Y223 HydrophobicContact CB-CE2 3.88Å; P169-Y223 HydrophobicContact CB-CG 4.29Å; P169-Y223 HydrophobicContact CG-CD1 4Å; P169-Y223 HydrophobicContact CG-CD2 3.66Å; P169-Y223 HydrophobicContact CG-CE1 4.24Å; P169-Y223 HydrophobicContact CG-CE2 3.9Å; P169-Y223 HydrophobicContact CG-CG 3.72Å; H217-Y223 WeakPolarHBondContact O-CD2 3.33Å; S220-Y223 PolarHBondContact O-N 2.57Å; S220-Y223 WeakPolarHBondContact OG-CD2 3.41Å; Y223-D225 VanDerWaalsContact C-N 3.28Å; Y223-D225 PolarHBondContact O-N 2.68Å; Y223-K226 HydrophobicContact CD1-CD 3.9Å; Y223-K226 WeakPolarHBondContact O-CB 3.49Å; Y223-K226 PolarHBondContact O-N 3.01Å; Y223-N229 WeakPolarHBondContact O-CB 3.25Å; Y223-N229 PolarHBondContact O-ND2 3.3Å
224L94.1Very high94.4Very high0 Ų031.1 Ų31.10%015%0.154CC..THydrogen-bonded Turntrans-60.6-37.7-177.8-176.362.7000113M28 F219 S220 K226 S230 M233M28-L224 HydrophobicContact CB-CD2 4.12Å; F219-L224 HydrophobicContact CD1-CD1 4.14Å; S220-L224 WeakPolarHBondContact O-CB 3.43Å; S220-L224 PolarHBondContact O-N 3.16Å; L224-K226 VanDerWaalsContact C-N 3.31Å; L224-S230 PolarHBondContact O-N 2.86Å; L224-S230 VanDerWaalsContact O-N 3.12Å; L224-M233 HydrophobicContact CD1-CB 3.93Å; L224-M233 HydrophobicContact CD1-CG 4.23Å; L224-M233 HydrophobicContact CD1-SD 3.63Å; L224-M233 HydrophobicContact CD2-SD 4.01Å; L224-M233 HydrophobicContact CG-SD 4.47Å
225D93.1Very high94.3Very high108 Ų10831.2 Ų31.258%0.57816%0.155SC*.THydrogen-bonded Turntrans-89.33.5179.7-61.7-38.6000112.9Y223Y223-D225 VanDerWaalsContact C-N 3.28Å; Y223-D225 PolarHBondContact O-N 2.68Å
226K92.6Very high94.2Very high64 Ų6431.3 Ų31.328%0.27816%0.155SC..SBendtrans-94.5139.7178.5-65.5-176.5172.2170.70111.2Y123 V167 Q222 Y223 L224 E228 N229Y123-K226 HydrophobicContact CE1-CD 3.77Å; V167-K226 HydrophobicContact CG2-CB 4.39Å; Q222-K226 VanDerWaalsContact O-CD 3.28Å; Q222-K226 WeakPolarHBondContact O-CD 3.43Å; Q222-K226 WeakPolarHBondContact O-CE 3.29Å; Q222-K226 PolarHBondContact O-NZ 3.09Å; Y223-K226 HydrophobicContact CD1-CD 3.9Å; Y223-K226 WeakPolarHBondContact O-CB 3.49Å; Y223-K226 PolarHBondContact O-N 3.01Å; L224-K226 VanDerWaalsContact C-N 3.31Å; K226-E228 PolarHBondContact O-N 3.39Å; K226-N229 WeakPolarHBondContact O-CB 3.5Å; K226-N229 PolarHBondContact O-N 2.91Å
227E92.8Very high94.1Very high66 Ų6631.7 Ų31.731%0.30816%0.157SC..THydrogen-bonded Turntrans47.2-127.9-177.3-47.3-66.6172.400110.6K122 Y123 L130 T165 V167K122-E227 WeakPolarHBondContact CD-OE1 3.23Å; K122-E227 IonicContact NZ-OE1 3.59Å; K122-E227 PolarHBondContact NZ-OE1 3.39Å; K122-E227 IonicContact NZ-OE2 3.74Å; K122-E227 PolarHBondContact NZ-OE2 2.97Å; K122-E227 VanDerWaalsContact NZ-OE2 3.13Å; Y123-E227 PolarHBondContact OH-OE1 3.35Å; L130-E227 HydrophobicContact CD1-CG 3.76Å; T165-E227 WeakPolarHBondContact O-CB 3.42Å; V167-E227 HydrophobicContact CG2-CB 4.25Å; V167-E227 HydrophobicContact CG2-CG 3.48Å; V167-E227 VanDerWaalsContact CG2-CG 3.48Å
228E93.7Very high93.9Very high30 Ų3033 Ų3314%0.1416%0.163CC..THydrogen-bonded Turntrans-110.723.4179.1-51.8-165.4113.800113.9K146 L164 T165 K226 S230 K231 I232K146-E228 VanDerWaalsContact CE-CD 3.44Å; K146-E228 WeakPolarHBondContact CE-OE1 3.31Å; K146-E228 WeakPolarHBondContact CE-OE2 3.35Å; K146-E228 IonicContact NZ-OE1 3.19Å; K146-E228 PolarHBondContact NZ-OE1 2.98Å; K146-E228 IonicContact NZ-OE2 2.62Å; L164-E228 HydrophobicContact CD2-CB 4.48Å; L164-E228 WeakPolarHBondContact CD2-OE2 3.3Å; T165-E228 PolarHBondContact N-OE2 3.46Å; T165-E228 VanDerWaalsContact O-CB 3.28Å; T165-E228 WeakPolarHBondContact O-CB 3.4Å; T165-E228 PolarHBondContact O-N 3.23Å; K226-E228 PolarHBondContact O-N 3.39Å; E228-S230 PolarHBondContact O-N 2.98Å; E228-K231 HydrophobicContact CB-CD 4.26Å; E228-K231 PolarHBondContact O-N 3.17Å; E228-K231 IonicContact OE1-NZ 2.67Å; E228-K231 PolarHBondContact OE1-NZ 2.8Å; E228-I232 PolarHBondContact O-N 3.37Å
229N95.3Very high93.7Very high0 Ų033.4 Ų33.40%016%0.164CC..Hα-helixtrans-56.9-35.9178.4-78.228.9000112.5F166 V167 M218 Y223 K226 K231 I232 M233F166-N229 WeakPolarHBondContact CA-OD1 3.35Å; F166-N229 VanDerWaalsContact CB-OD1 3.26Å; F166-N229 WeakPolarHBondContact CB-OD1 3.28Å; V167-N229 PolarHBondContact N-OD1 3.06Å; V167-N229 PolarHBondContact O-ND2 3.03Å; V167-N229 PolarHBondContact O-OD1 2.96Å; M218-N229 WeakPolarHBondContact CG-ND2 3.36Å; M218-N229 PolarHBondContact O-ND2 2.89Å; Y223-N229 WeakPolarHBondContact O-CB 3.25Å; Y223-N229 PolarHBondContact O-ND2 3.3Å; K226-N229 WeakPolarHBondContact O-CB 3.5Å; K226-N229 PolarHBondContact O-N 2.91Å; N229-K231 VanDerWaalsContact C-N 3.31Å; N229-K231 PolarHBondContact O-N 3.32Å; N229-I232 PolarHBondContact O-N 2.69Å; N229-M233 PolarHBondContact O-N 3.12Å
230S94.1Very high93.5Very high26 Ų2633.4 Ų33.418%0.18216%0.164CC..Hα-helixtrans-57.6-41.5174.954.10000112.9K31 L224 E228 M233 D234K31-S230 VanDerWaalsContact NZ-CB 3.33Å; L224-S230 PolarHBondContact O-N 2.86Å; L224-S230 VanDerWaalsContact O-N 3.12Å; E228-S230 PolarHBondContact O-N 2.98Å; S230-M233 WeakPolarHBondContact O-CB 3.18Å; S230-M233 PolarHBondContact O-N 3.31Å; S230-D234 PolarHBondContact O-N 3.15Å
231K93.3Very high93.1Very high67 Ų6734 Ų3429%0.29117%0.168SC..Hα-helixtrans-69.5-39.5178.4-61.6-177.1-176.3170.80111.7A144 L164 E228 N229 M233 D234 V235A144-K231 HydrophobicContact CB-CB 4.26Å; L164-K231 HydrophobicContact CD2-CD 4.48Å; E228-K231 HydrophobicContact CB-CD 4.26Å; E228-K231 PolarHBondContact O-N 3.17Å; E228-K231 IonicContact OE1-NZ 2.67Å; E228-K231 PolarHBondContact OE1-NZ 2.8Å; N229-K231 VanDerWaalsContact C-N 3.31Å; N229-K231 PolarHBondContact O-N 3.32Å; K231-M233 VanDerWaalsContact C-N 3.3Å; K231-M233 PolarHBondContact O-N 2.84Å; K231-D234 PolarHBondContact O-N 3.13Å; K231-V235 WeakPolarHBondContact O-CG2 3.42Å; K231-V235 PolarHBondContact O-N 3.09Å
232I94.3Very high92.4Very high2 Ų233.7 Ų33.71%0.0117%0.168CC..Hα-helixtrans-60.7-43.5174.5-58.9-63.1000110.3L164 F166 L184 M218 F219 E228 N229 V235 V236L164-I232 HydrophobicContact CD1-CD1 3.8Å; F166-I232 HydrophobicContact CB-CG1 4.18Å; F166-I232 HydrophobicContact CD1-CD1 4.24Å; F166-I232 HydrophobicContact CD1-CG1 4.3Å; F166-I232 HydrophobicContact CG-CG1 4.3Å; L184-I232 HydrophobicContact CD1-CD1 4.28Å; L184-I232 HydrophobicContact CD1-CG2 3.9Å; L184-I232 HydrophobicContact CD2-CD1 4.48Å; M218-I232 HydrophobicContact CE-CB 3.92Å; M218-I232 HydrophobicContact CE-CG1 4Å; M218-I232 HydrophobicContact CE-CG2 3.67Å; F219-I232 HydrophobicContact CE1-CG2 4.31Å; F219-I232 HydrophobicContact CZ-CG2 4.31Å; E228-I232 PolarHBondContact O-N 3.37Å; N229-I232 PolarHBondContact O-N 2.69Å; I232-V235 PolarHBondContact O-N 3.39Å; I232-V236 HydrophobicContact CG2-CG2 4.31Å; I232-V236 VanDerWaalsContact O-CG2 3.28Å; I232-V236 WeakPolarHBondContact O-CG2 3.44Å; I232-V236 PolarHBondContact O-N 3.22Å
233M94.4Very high91.5Very high1 Ų130.4 Ų30.41%0.00517%0.165CC..Hα-helixtrans-58-49.9174.1-170.8-159.672.500110.6M28 K31 F219 L224 N229 S230 K231 V235 V236 F237M28-M233 HydrophobicContact CB-SD 4.29Å; M28-M233 HydrophobicContact CG-SD 3.82Å; K31-M233 HydrophobicContact CB-CE 4.13Å; K31-M233 HydrophobicContact CD-CE 3.58Å; F219-M233 HydrophobicContact CD1-CB 3.79Å; F219-M233 HydrophobicContact CD1-CG 4.1Å; F219-M233 HydrophobicContact CE1-CB 3.56Å; F219-M233 HydrophobicContact CE1-CG 4.16Å; F219-M233 HydrophobicContact CG-CB 4.48Å; F219-M233 HydrophobicContact CG-CG 4.3Å; F219-M233 HydrophobicContact CZ-CB 4.06Å; F219-M233 HydrophobicContact CZ-CG 4.38Å; L224-M233 HydrophobicContact CD1-CB 3.93Å; L224-M233 HydrophobicContact CD1-CG 4.23Å; L224-M233 HydrophobicContact CD1-SD 3.63Å; L224-M233 HydrophobicContact CD2-SD 4.01Å; L224-M233 HydrophobicContact CG-SD 4.47Å; N229-M233 PolarHBondContact O-N 3.12Å; S230-M233 WeakPolarHBondContact O-CB 3.18Å; S230-M233 PolarHBondContact O-N 3.31Å; K231-M233 VanDerWaalsContact C-N 3.3Å; K231-M233 PolarHBondContact O-N 2.84Å; M233-V235 VanDerWaalsContact C-N 3.32Å; M233-V235 PolarHBondContact O-N 3.17Å; M233-V236 PolarHBondContact O-N 3.34Å; M233-F237 HydrophobicContact CG-CD2 3.77Å; M233-F237 HydrophobicContact CG-CE2 3.99Å; M233-F237 WeakPolarHBondContact O-CB 3.11Å; M233-F237 VanDerWaalsContact O-CD2 3.29Å; M233-F237 WeakPolarHBondContact O-CD2 3.5Å; M233-F237 PolarHBondContact O-N 3.28Å
234D92.6Very high90.6Very high75 Ų7536 Ų3640%0.40120%0.195SC..Hα-helixtrans-59.2-43.2-178.8-64.4-25.6000111.3S230 K231 F237 Q238S230-D234 PolarHBondContact O-N 3.15Å; K231-D234 PolarHBondContact O-N 3.13Å; D234-F237 PolarHBondContact O-N 2.73Å; D234-Q238 WeakPolarHBondContact O-CB 3.47Å; D234-Q238 PolarHBondContact O-N 3.19Å
235V93.3Very high90.1Very high2 Ų236.3 Ų36.31%0.01220%0.197CC..Hα-helixtrans-64.9-44.7176.4175.10000112.4I140 A143 A144 K231 I232 M233 Q238 W239 I245I140-V235 HydrophobicContact CD1-CG1 3.73Å; I140-V235 HydrophobicContact CG2-CG1 4.15Å; A143-V235 HydrophobicContact CB-CB 4.46Å; A143-V235 HydrophobicContact CB-CG1 3.95Å; A143-V235 HydrophobicContact CB-CG2 3.76Å; A144-V235 HydrophobicContact CB-CG2 3.9Å; K231-V235 WeakPolarHBondContact O-CG2 3.42Å; K231-V235 PolarHBondContact O-N 3.09Å; I232-V235 PolarHBondContact O-N 3.39Å; M233-V235 VanDerWaalsContact C-N 3.32Å; M233-V235 PolarHBondContact O-N 3.17Å; V235-Q238 PolarHBondContact O-N 2.92Å; V235-W239 WeakPolarHBondContact O-CB 3.33Å; V235-W239 PolarHBondContact O-N 3.06Å; V235-I245 HydrophobicContact CG1-CD1 4.23Å
236V94.6Very high89.7Confident1 Ų138 Ų381%0.00620%0.201CC..Hα-helixtrans-62.2-45.9178.5170.50000110.7L84 L198 F200 F219 I232 M233 W239 L240L84-V236 HydrophobicContact CD1-CG1 4.23Å; L198-V236 HydrophobicContact CD2-CG2 3.63Å; F200-V236 HydrophobicContact CE1-CG2 4.37Å; F200-V236 HydrophobicContact CZ-CG2 4.11Å; F219-V236 HydrophobicContact CZ-CG2 4.44Å; I232-V236 HydrophobicContact CG2-CG2 4.31Å; I232-V236 VanDerWaalsContact O-CG2 3.28Å; I232-V236 WeakPolarHBondContact O-CG2 3.44Å; I232-V236 PolarHBondContact O-N 3.22Å; M233-V236 PolarHBondContact O-N 3.34Å; V236-W239 PolarHBondContact O-N 3.17Å; V236-L240 HydrophobicContact CG1-CD1 3.95Å; V236-L240 WeakPolarHBondContact O-CG 3.39Å; V236-L240 PolarHBondContact O-N 3.23Å
237F93.1Very high89.4Confident8 Ų836.8 Ų36.84%0.03520%0.198CC..Hα-helixtrans-69.7-39.4179.2-86.3-94.1000112.1I9 M28 L32 L55 I57 L84 M233 D234 W239 L240 T241I9-F237 HydrophobicContact CD1-CD1 4.43Å; I9-F237 HydrophobicContact CD1-CE1 4.33Å; M28-F237 HydrophobicContact CE-CE1 4.14Å; M28-F237 HydrophobicContact CE-CE2 3.29Å; M28-F237 HydrophobicContact CE-CZ 3.05Å; L32-F237 HydrophobicContact CD1-CD1 4.03Å; L32-F237 HydrophobicContact CD1-CE1 3.49Å; L32-F237 VanDerWaalsContact CD1-CE1 3.49Å; L32-F237 HydrophobicContact CD1-CZ 3.89Å; L32-F237 HydrophobicContact CD2-CB 4.41Å; L32-F237 HydrophobicContact CD2-CD1 3.38Å; L32-F237 HydrophobicContact CD2-CE1 3.79Å; L32-F237 HydrophobicContact CD2-CG 3.87Å; L32-F237 HydrophobicContact CG-CD1 4.35Å; L32-F237 HydrophobicContact CG-CE1 4.29Å; L55-F237 HydrophobicContact CD2-CD1 3.89Å; L55-F237 HydrophobicContact CD2-CE1 3.49Å; L55-F237 VanDerWaalsContact CD2-CE1 3.49Å; L55-F237 HydrophobicContact CD2-CZ 4.26Å; I57-F237 HydrophobicContact CD1-CE1 3.86Å; I57-F237 HydrophobicContact CD1-CZ 3.76Å; L84-F237 HydrophobicContact CD2-CE2 3.97Å; L84-F237 HydrophobicContact CD2-CZ 3.84Å; M233-F237 HydrophobicContact CG-CD2 3.77Å; M233-F237 HydrophobicContact CG-CE2 3.99Å; M233-F237 WeakPolarHBondContact O-CB 3.11Å; M233-F237 VanDerWaalsContact O-CD2 3.29Å; M233-F237 WeakPolarHBondContact O-CD2 3.5Å; M233-F237 PolarHBondContact O-N 3.28Å; D234-F237 PolarHBondContact O-N 2.73Å; F237-W239 VanDerWaalsContact C-N 3.34Å; F237-L240 PolarHBondContact O-N 3.31Å; F237-T241 VanDerWaalsContact O-CB 3.3Å; F237-T241 WeakPolarHBondContact O-CB 3.34Å; F237-T241 WeakPolarHBondContact O-CG2 3.19Å; F237-T241 PolarHBondContact O-N 2.79Å; F237-T241 PolarHBondContact O-OG1 3.09Å
238Q91.3Very high89.1Confident72 Ų7235.8 Ų35.834%0.33619%0.194SC..Hα-helixtrans-62.6-43.6174-172.8175.42.200110.3D234 V235 L240 T241 T242 I245D234-Q238 WeakPolarHBondContact O-CB 3.47Å; D234-Q238 PolarHBondContact O-N 3.19Å; V235-Q238 PolarHBondContact O-N 2.92Å; Q238-L240 PolarHBondContact O-N 3.44Å; Q238-T241 PolarHBondContact O-N 3.44Å; Q238-T242 HydrophobicContact CG-CG2 3.96Å; Q238-T242 VanDerWaalsContact CG-OG1 3.27Å; Q238-T242 WeakPolarHBondContact CG-OG1 3.32Å; Q238-T242 WeakPolarHBondContact O-CA 3.2Å; Q238-T242 VanDerWaalsContact O-CB 3.28Å; Q238-T242 WeakPolarHBondContact O-CB 3.33Å; Q238-T242 PolarHBondContact O-N 3.37Å; Q238-T242 PolarHBondContact O-OG1 3.24Å; Q238-I245 HydrophobicContact CB-CD1 3.83Å; Q238-I245 HydrophobicContact CG-CD1 3.71Å; Q238-I245 HydrophobicContact CG-CG1 4.22Å
239W93.1Very high88.8Confident8 Ų841.6 Ų41.63%0.0322%0.221CC..Hα-helixtrans-63.9-41.6177.9-179.584.5000112.4F200 Y201 H202 K209 A211 V235 V236 F237 I245F200-W239 HydrophobicContact CB-CH2 3.57Å; F200-W239 HydrophobicContact CB-CZ2 3.68Å; F200-W239 HydrophobicContact CB-CZ3 4.05Å; F200-W239 HydrophobicContact CD1-CD2 4.37Å; F200-W239 AromaticContact CD1-CE3 3.81Å; F200-W239 HydrophobicContact CD1-CE3 3.81Å; F200-W239 HydrophobicContact CD1-CH2 4.14Å; F200-W239 AromaticContact CD1-CZ3 3.68Å; F200-W239 HydrophobicContact CD1-CZ3 3.68Å; F200-W239 AromaticContact CD2-CD2 3.64Å; F200-W239 HydrophobicContact CD2-CD2 3.64Å; F200-W239 AromaticContact CD2-CE2 3.65Å; F200-W239 AromaticContact CD2-CE3 3.94Å; F200-W239 HydrophobicContact CD2-CE3 3.94Å; F200-W239 HydrophobicContact CD2-CG 4.07Å; F200-W239 HydrophobicContact CD2-CH2 4.28Å; F200-W239 HydrophobicContact CD2-CZ2 4Å; F200-W239 HydrophobicContact CD2-CZ3 4.24Å; F200-W239 HydrophobicContact CE1-CD2 4.43Å; F200-W239 AromaticContact CE1-CE3 3.89Å; F200-W239 HydrophobicContact CE1-CE3 3.89Å; F200-W239 HydrophobicContact CE1-CZ3 4.19Å; F200-W239 HydrophobicContact CE2-CB 4.19Å; F200-W239 AromaticContact CE2-CD2 3.71Å; F200-W239 HydrophobicContact CE2-CD2 3.71Å; F200-W239 HydrophobicContact CE2-CE3 4.01Å; F200-W239 AromaticContact CE2-CG 3.76Å; F200-W239 HydrophobicContact CE2-CG 3.76Å; F200-W239 HydrophobicContact CG-CD2 4.01Å; F200-W239 AromaticContact CG-CE2 3.99Å; F200-W239 AromaticContact CG-CE3 3.86Å; F200-W239 HydrophobicContact CG-CE3 3.86Å; F200-W239 AromaticContact CG-CH2 3.75Å; F200-W239 HydrophobicContact CG-CH2 3.75Å; F200-W239 AromaticContact CG-CZ2 3.9Å; F200-W239 HydrophobicContact CG-CZ2 3.9Å; F200-W239 AromaticContact CG-CZ3 3.73Å; F200-W239 HydrophobicContact CG-CZ3 3.73Å; F200-W239 HydrophobicContact CZ-CB 4.39Å; F200-W239 HydrophobicContact CZ-CD2 4.13Å; F200-W239 AromaticContact CZ-CE3 4Å; F200-W239 HydrophobicContact CZ-CE3 4Å; F200-W239 HydrophobicContact CZ-CG 4.29Å; Y201-W239 WeakPolarHBondContact O-CH2 3.33Å; H202-W239 HydrophobicContact CB-CZ2 4.26Å; K209-W239 HydrophobicContact CB-CE3 4.47Å; K209-W239 HydrophobicContact CB-CH2 3.69Å; K209-W239 HydrophobicContact CB-CZ2 4.4Å; K209-W239 HydrophobicContact CB-CZ3 3.73Å; K209-W239 HydrophobicContact CD-CD2 4.32Å; K209-W239 HydrophobicContact CD-CE3 4.35Å; K209-W239 HydrophobicContact CD-CH2 4.26Å; K209-W239 HydrophobicContact CD-CZ2 4.22Å; K209-W239 HydrophobicContact CD-CZ3 4.33Å; K209-W239 WeakPolarHBondContact CD-O 3.22Å; K209-W239 WeakPolarHBondContact CE-O 3.33Å; K209-W239 HydrophobicContact CG-CH2 4.1Å; K209-W239 HydrophobicContact CG-CZ2 4.32Å; K209-W239 HydrophobicContact CG-CZ3 4.42Å; K209-W239 PolarHBondContact NZ-O 2.83Å; A211-W239 HydrophobicContact CB-CZ3 4.18Å; V235-W239 WeakPolarHBondContact O-CB 3.33Å; V235-W239 PolarHBondContact O-N 3.06Å; V236-W239 PolarHBondContact O-N 3.17Å; F237-W239 VanDerWaalsContact C-N 3.34Å; W239-I245 HydrophobicContact CB-CB 4.39Å; W239-I245 HydrophobicContact CB-CD1 4.18Å
240L91.1Very high88.3Confident0 Ų047.3 Ų47.30%025%0.251CS..Hα-helixtrans-68.2-47176.8-72.7165.1000111.8L55 D82 L84 K209 A211 V236 F237 Q238L55-L240 HydrophobicContact CD1-CB 4.4Å; L55-L240 HydrophobicContact CD1-CD1 3.88Å; L55-L240 HydrophobicContact CD1-CD2 4.35Å; L55-L240 HydrophobicContact CD1-CG 4.45Å; L55-L240 HydrophobicContact CD2-CB 4.46Å; L55-L240 HydrophobicContact CD2-CD1 4.08Å; D82-L240 HydrophobicContact CB-CB 4.48Å; D82-L240 HydrophobicContact CB-CD2 4.19Å; D82-L240 VanDerWaalsContact CG-O 3.25Å; L84-L240 HydrophobicContact CB-CD1 3.95Å; L84-L240 HydrophobicContact CD1-CD1 4.35Å; L84-L240 HydrophobicContact CD2-CD1 4.42Å; L84-L240 HydrophobicContact CG-CD1 4.47Å; K209-L240 HydrophobicContact CB-CD2 4.01Å; A211-L240 HydrophobicContact CB-CD1 4.09Å; A211-L240 HydrophobicContact CB-CD2 3.91Å; A211-L240 HydrophobicContact CB-CG 4.25Å; V236-L240 HydrophobicContact CG1-CD1 3.95Å; V236-L240 WeakPolarHBondContact O-CG 3.39Å; V236-L240 PolarHBondContact O-N 3.23Å; F237-L240 PolarHBondContact O-N 3.31Å; Q238-L240 PolarHBondContact O-N 3.44Å
241T86.7Confident87.9Confident17 Ų1746.7 Ų46.710%0.10425%0.245CC..Hα-helixtrans-88.7-30.5-168.861.60000114.1W36 K54 L55 F237 Q238W36-T241 HydrophobicContact CH2-CG2 4.33Å; W36-T241 VanDerWaalsContact CZ2-CB 3.45Å; W36-T241 HydrophobicContact CZ2-CG2 3.8Å; K54-T241 WeakPolarHBondContact CE-O 3.49Å; L55-T241 HydrophobicContact CD2-CG2 4.49Å; F237-T241 VanDerWaalsContact O-CB 3.3Å; F237-T241 WeakPolarHBondContact O-CB 3.34Å; F237-T241 WeakPolarHBondContact O-CG2 3.19Å; F237-T241 PolarHBondContact O-N 2.79Å; F237-T241 PolarHBondContact O-OG1 3.09Å; Q238-T241 PolarHBondContact O-N 3.44Å
242T79.3Confident87.5Confident42 Ų4244.4 Ų44.426%0.25824%0.239SC..  trans-106.6162-178.377.90000111.5K209 Q238K209-T242 PolarHBondContact NZ-O 2.82Å; Q238-T242 HydrophobicContact CG-CG2 3.96Å; Q238-T242 VanDerWaalsContact CG-OG1 3.27Å; Q238-T242 WeakPolarHBondContact CG-OG1 3.32Å; Q238-T242 WeakPolarHBondContact O-CA 3.2Å; Q238-T242 VanDerWaalsContact O-CB 3.28Å; Q238-T242 WeakPolarHBondContact O-CB 3.33Å; Q238-T242 PolarHBondContact O-N 3.37Å; Q238-T242 PolarHBondContact O-OG1 3.24Å
243G73.9Confident87.1Confident47 Ų4750.5 Ų50.549%0.48527%0.267SS..SBendtrans-91.81.4175.900000113.9H246G243-H246 PolarHBondContact O-CE1 2.77Å
244D75.8Confident86.6Confident119 Ų11956.9 Ų56.964%0.63630%0.302SS*.  trans-87.5-22.5-157.2-53.3-27.1000113.2
245I83.9Confident86.2Confident7 Ų754.5 Ų54.54%0.03629%0.29CS..  trans-92.6109.3-178.2-58.6179.2000109.4E139 A143 V235 Q238 W239E139-I245 HydrophobicContact CG-CG2 3.87Å; A143-I245 HydrophobicContact CB-CD1 3.65Å; A143-I245 HydrophobicContact CB-CG1 4.19Å; V235-I245 HydrophobicContact CG1-CD1 4.23Å; Q238-I245 HydrophobicContact CB-CD1 3.83Å; Q238-I245 HydrophobicContact CG-CD1 3.71Å; Q238-I245 HydrophobicContact CG-CG1 4.22Å; W239-I245 HydrophobicContact CB-CB 4.39Å; W239-I245 HydrophobicContact CB-CD1 4.18Å
246H84.8Confident85.7Confident144 Ų14461 Ų6167%0.66732%0.321SS*.  trans-106.6114.5173.9-66.7-56.5000110.5E139 G243E139-H246 WeakPolarHBondContact CG-O 3.34Å; G243-H246 PolarHBondContact O-CE1 2.77Å
247L86.5Confident85.2Confident39 Ų3964.2 Ų64.220%0.20434%0.337CS..  trans-58.7139.9179.8-61.3177.5000111I140 V181 V183 F200 Q249I140-L247 HydrophobicContact CD1-CD2 4.47Å; V181-L247 HydrophobicContact CB-CD1 4.41Å; V181-L247 HydrophobicContact CG1-CD1 4.33Å; V183-L247 HydrophobicContact CG1-CD1 4.25Å; V183-L247 HydrophobicContact CG1-CD2 4.08Å; F200-L247 HydrophobicContact CB-CD1 4.29Å; F200-L247 HydrophobicContact CD2-CD1 4.14Å; F200-L247 HydrophobicContact CD2-CD2 4.12Å; F200-L247 HydrophobicContact CE2-CD2 4.48Å; L247-Q249 PolarHBondContact O-N 3.33Å
248N87.3Confident84.7Confident44 Ų4465.8 Ų65.824%0.23535%0.349CS..  trans-63.9129.1172.2-175.1-79.2000109.7N137 R138 I250 D251 A252N137-N248 PolarHBondContact ND2-N 2.95Å; N137-N248 PolarHBondContact ND2-O 3.07Å; N137-N248 VanDerWaalsContact ND2-O 3.07Å; N137-N248 PolarHBondContact OD1-N 2.88Å; R138-N248 HydrophobicContact CG-CB 4.05Å; N248-I250 WeakPolarHBondContact OD1-CB 3.28Å; N248-I250 PolarHBondContact OD1-N 3.07Å; N248-D251 HydrophobicContact CB-CB 4.29Å; N248-D251 PolarHBondContact OD1-N 2.52Å; N248-A252 WeakPolarHBondContact O-CB 3.17Å; N248-A252 PolarHBondContact O-N 3.07Å; N248-A252 VanDerWaalsContact O-N 3.1Å
249Q85.8Confident84.2Confident153 Ų15369.1 Ų69.172%0.71537%0.369SS*.Hα-helixtrans-71.8-33.9-174.8-68.4-177.3-1.800113.1L247 A252 E253L247-Q249 PolarHBondContact O-N 3.33Å; Q249-A252 PolarHBondContact O-N 3.3Å; Q249-E253 WeakPolarHBondContact O-CB 3.31Å; Q249-E253 WeakPolarHBondContact O-CG 3.44Å; Q249-E253 PolarHBondContact O-N 3.49Å
250I85.6Confident83.4Confident120 Ų12072.4 Ų72.462%0.61538%0.382SS*.Hα-helixtrans-65.8-53.6-179.7-57171.1000108.8N248 A252 E253 D254N248-I250 WeakPolarHBondContact OD1-CB 3.28Å; N248-I250 PolarHBondContact OD1-N 3.07Å; I250-A252 PolarHBondContact O-N 2.66Å; I250-E253 PolarHBondContact O-N 2.85Å; I250-E253 VanDerWaalsContact O-N 3.12Å; I250-D254 PolarHBondContact O-N 3.27Å; I250-D254 VanDerWaalsContact O-N 3.09Å
251D85.8Confident82.5Confident13 Ų1379 Ų797%0.0742%0.415CS..Hα-helixtrans-63.4-25.4178.3-56.6-12.5000112N137 R138 N248N137-D251 HydrophobicContact CB-CB 4.41Å; R138-D251 WeakPolarHBondContact CB-OD2 3.07Å; R138-D251 VanDerWaalsContact CG-OD2 3.3Å; R138-D251 WeakPolarHBondContact CG-OD2 3.35Å; R138-D251 IonicContact CZ-OD1 3.34Å; R138-D251 IonicContact CZ-OD2 2.66Å; R138-D251 PolarHBondContact N-OD2 3.4Å; R138-D251 IonicContact NE-OD1 3.42Å; R138-D251 PolarHBondContact NE-OD1 2.78Å; R138-D251 IonicContact NE-OD2 3.76Å; R138-D251 PolarHBondContact NE-OD2 2.7Å; R138-D251 IonicContact NH2-OD1 2.78Å; R138-D251 PolarHBondContact NH2-OD1 3.29Å; R138-D251 IonicContact NH2-OD2 3.75Å; N248-D251 HydrophobicContact CB-CB 4.29Å; N248-D251 PolarHBondContact OD1-N 2.52Å
252A85.4Confident81.6Confident19 Ų1985.2 Ų85.216%0.15744%0.444CS..Hα-helixtrans-81.6-28.617700000113.6V181 N248 Q249 I250V181-A252 HydrophobicContact CB-CB 4.41Å; V181-A252 HydrophobicContact CG1-CB 3.54Å; V181-A252 HydrophobicContact CG2-CB 3.94Å; N248-A252 WeakPolarHBondContact O-CB 3.17Å; N248-A252 PolarHBondContact O-N 3.07Å; N248-A252 VanDerWaalsContact O-N 3.1Å; Q249-A252 PolarHBondContact O-N 3.3Å; I250-A252 PolarHBondContact O-N 2.66Å
253E85.4Confident81Confident129 Ų12988.8 Ų88.860%0.60346%0.461SS*.Hα-helixtrans-81.5-36.5178.7-78.6-176171.600112.4Q249 I250Q249-E253 WeakPolarHBondContact O-CB 3.31Å; Q249-E253 WeakPolarHBondContact O-CG 3.44Å; Q249-E253 PolarHBondContact O-N 3.49Å; I250-E253 PolarHBondContact O-N 2.85Å; I250-E253 VanDerWaalsContact O-N 3.12Å
254D84.1Confident80.6Confident136 Ų13690.3 Ų90.373%0.72746%0.462SS*.SBendtrans-134.474.7-179.4-165.123.8000111.3I250I250-D254 PolarHBondContact O-N 3.27Å; I250-D254 VanDerWaalsContact O-N 3.09Å
255P83.7Confident80.3Confident25 Ų2593.2 Ų93.216%0.16247%0.466CS..  trans-72.3141.2177.229.8-34.1000111.1L136 I257L136-P255 HydrophobicContact CD1-CB 4.4Å; P255-I257 VanDerWaalsContact C-N 3.25Å; P255-I257 HydrophobicContact CB-CG2 4.18Å; P255-I257 HydrophobicContact CG-CD1 4.38Å; P255-I257 HydrophobicContact CG-CG1 4.43Å; P255-I257 HydrophobicContact CG-CG2 4.39Å; P255-I257 PolarHBondContact O-N 3.42Å
256E82.6Confident79.6Confident139 Ų13997.8 Ų97.865%0.6549%0.494SS*.  trans-70.374.5176.4-67-179.1-171.700112.3L136L136-E256 HydrophobicContact CD2-CB 4.43Å; L136-E256 WeakPolarHBondContact CD2-O 3.46Å
257I85Confident79Confident68 Ų6893.4 Ų93.435%0.34948%0.482SS..  trans-112.5149179.961.6172.2000111.2L136 N194 P196 P255L136-I257 HydrophobicContact CD1-CG2 3.8Å; L136-I257 HydrophobicContact CD2-CG2 4.32Å; N194-I257 CarbonylContact O-C 3.42Å; N194-I257 VanDerWaalsContact O-CA 3.3Å; N194-I257 WeakPolarHBondContact O-CA 3.22Å; P196-I257 HydrophobicContact CG-CG2 3.91Å; P255-I257 VanDerWaalsContact C-N 3.25Å; P255-I257 HydrophobicContact CB-CG2 4.18Å; P255-I257 HydrophobicContact CG-CD1 4.38Å; P255-I257 HydrophobicContact CG-CG1 4.43Å; P255-I257 HydrophobicContact CG-CG2 4.39Å; P255-I257 PolarHBondContact O-N 3.42Å
258S82.6Confident78.5Confident40 Ų4095.1 Ų95.128%0.2849%0.494SS..  trans-99.8153.2174.9-65.50000112.2N194 R195N194-S258 WeakPolarHBondContact CB-OG 3.49Å; N194-S258 PolarHBondContact O-N 3.38Å; R195-S258 WeakPolarHBondContact CD-O 2.93Å; R195-S258 PolarHBondContact NH1-O 3.07Å
259D79.9Confident77.6Confident143 Ų14396 Ų9677%0.76550%0.499SS*.  trans-60.7147.1172.6-73.2-30.7000111.5M261D259-M261 PolarHBondContact O-N 3.33Å
260Y77.4Confident77.1Confident76 Ų7692.7 Ų92.730%0.29849%0.493SS..  trans-74.894.1-179.4-163.9-101.6000110.8D113 P192 R195 M262D113-Y260 VanDerWaalsContact CB-OH 3.23Å; D113-Y260 WeakPolarHBondContact CB-OH 3.45Å; D113-Y260 VanDerWaalsContact OD2-CE2 3.23Å; D113-Y260 WeakPolarHBondContact OD2-CE2 3.39Å; D113-Y260 PolarHBondContact OD2-OH 3.48Å; P192-Y260 HydrophobicContact CG-CE2 4.16Å; R195-Y260 HydrophobicContact CG-CD2 4.33Å; Y260-M262 HydrophobicContact CD1-CE 4.06Å; Y260-M262 HydrophobicContact CD1-CG 4Å; Y260-M262 HydrophobicContact CD1-SD 4.35Å; Y260-M262 HydrophobicContact CE1-CE 3.53Å; Y260-M262 HydrophobicContact CE1-CG 3.86Å; Y260-M262 HydrophobicContact CE1-SD 3.65Å; Y260-M262 PolarHBondContact O-N 3.47Å
261M71.4Confident76.7Confident140 Ų14095 Ų9569%0.6950%0.498SS*.  trans-85.2104.8172.8-74-173-87.100110.5D259 L263D259-M261 PolarHBondContact O-N 3.33Å; M261-L263 PolarHBondContact O-N 3.38Å
262M67.4Low76.1Confident146 Ų146102.6 Ų102.672%0.71953%0.526SS*.PPolyproline II helixtrans-64.3118.1167.7-69.9-90.4-171.900108.8Y260 P264Y260-M262 HydrophobicContact CD1-CE 4.06Å; Y260-M262 HydrophobicContact CD1-CG 4Å; Y260-M262 HydrophobicContact CD1-SD 4.35Å; Y260-M262 HydrophobicContact CE1-CE 3.53Å; Y260-M262 HydrophobicContact CE1-CG 3.86Å; Y260-M262 HydrophobicContact CE1-SD 3.65Å; Y260-M262 PolarHBondContact O-N 3.47Å; M262-P264 WeakPolarHBondContact O-CD 3.11Å
263L65.9Low75Confident118 Ų118108.7 Ų108.762%0.61856%0.556SS**PPolyproline II helixtrans-64.4122.8166.7-77.7169.5000107.9F191 M261F191-L263 HydrophobicContact CD1-CD1 3.81Å; F191-L263 HydrophobicContact CD2-CD1 4.46Å; F191-L263 HydrophobicContact CE1-CD1 3.28Å; F191-L263 HydrophobicContact CE1-CG 3.66Å; F191-L263 HydrophobicContact CE2-CD1 4.01Å; F191-L263 HydrophobicContact CE2-CD2 4.4Å; F191-L263 HydrophobicContact CE2-CG 4.04Å; F191-L263 HydrophobicContact CG-CD1 4.39Å; F191-L263 HydrophobicContact CZ-CB 4.46Å; F191-L263 HydrophobicContact CZ-CD1 3.44Å; F191-L263 VanDerWaalsContact CZ-CD1 3.44Å; F191-L263 HydrophobicContact CZ-CD2 4.16Å; F191-L263 HydrophobicContact CZ-CG 3.36Å; M261-L263 PolarHBondContact O-N 3.38Å
264P66Low73.8Confident79 Ų79113.2 Ų113.251%0.51357%0.568SS.*PPolyproline II helixtrans-65.2146.417630.6-35.5000108.9M262 T266 L269M262-P264 WeakPolarHBondContact O-CD 3.11Å; P264-T266 VanDerWaalsContact C-N 3.32Å; P264-T266 WeakPolarHBondContact O-CG2 3.48Å; P264-T266 PolarHBondContact O-N 2.98Å; P264-L269 HydrophobicContact CB-CD1 3.6Å; P264-L269 HydrophobicContact CG-CD1 3.81Å
265Y69.4Low72.5Confident180 Ų180114.9 Ų114.971%0.70657%0.571SS**  trans-65.489.8-173.6-146.4-89.4000110.4A267 T268 L269Y265-A267 HydrophobicContact CD1-CB 4.2Å; Y265-A267 HydrophobicContact CE1-CB 4.23Å; Y265-A267 PolarHBondContact O-N 3.42Å; Y265-T268 WeakPolarHBondContact CD1-OG1 3.48Å; Y265-T268 WeakPolarHBondContact O-CA 3.36Å; Y265-T268 PolarHBondContact O-N 3.37Å; Y265-L269 PolarHBondContact O-N 2.67Å
266T69.3Low70.8Confident103 Ų103118.1 Ų118.163%0.63259%0.593SS**Hα-helixtrans-58.8-34.9-17052.10000112P264 T268 L269 S270P264-T266 VanDerWaalsContact C-N 3.32Å; P264-T266 WeakPolarHBondContact O-CG2 3.48Å; P264-T266 PolarHBondContact O-N 2.98Å; T266-T268 VanDerWaalsContact C-N 3.32Å; T266-T268 PolarHBondContact O-N 2.61Å; T266-L269 PolarHBondContact O-N 3.22Å; T266-S270 VanDerWaalsContact O-CB 3.29Å; T266-S270 WeakPolarHBondContact O-CB 3.41Å; T266-S270 PolarHBondContact O-N 2.9Å; T266-S270 PolarHBondContact O-OG 3.01Å
267A73.2Confident69.6Low51 Ų51120.6 Ų120.642%0.42161%0.61SS.*Hα-helixtrans-68.7-25175.300000114.2Y265 S270 K271Y265-A267 HydrophobicContact CD1-CB 4.2Å; Y265-A267 HydrophobicContact CE1-CB 4.23Å; Y265-A267 PolarHBondContact O-N 3.42Å; A267-S270 WeakPolarHBondContact CA-OG 3.37Å; A267-S270 PolarHBondContact O-OG 2.73Å; A267-S270 VanDerWaalsContact O-OG 3.05Å; A267-K271 WeakPolarHBondContact O-CG 3.44Å
268T74.9Confident68.1Low75 Ų75124.3 Ų124.346%0.4663%0.626SS.*Hα-helixtrans-88-37.9173.6-60.20000110Y265 T266 S270 K271Y265-T268 WeakPolarHBondContact CD1-OG1 3.48Å; Y265-T268 WeakPolarHBondContact O-CA 3.36Å; Y265-T268 PolarHBondContact O-N 3.37Å; T266-T268 VanDerWaalsContact C-N 3.32Å; T266-T268 PolarHBondContact O-N 2.61Å; T268-S270 VanDerWaalsContact C-N 3.31Å; T268-S270 PolarHBondContact O-N 3.13Å; T268-K271 WeakPolarHBondContact O-CB 3.49Å; T268-K271 PolarHBondContact O-N 3.43Å
269L69.3Low67Low63 Ų63130.8 Ų130.833%0.3365%0.652SS.*Hα-helixtrans-63.3-35.5172.9-71.4-179.1000112.4P264 Y265 T266 K271 R272P264-L269 HydrophobicContact CB-CD1 3.6Å; P264-L269 HydrophobicContact CG-CD1 3.81Å; Y265-L269 PolarHBondContact O-N 2.67Å; T266-L269 PolarHBondContact O-N 3.22Å; L269-K271 PolarHBondContact O-N 3.48Å; L269-R272 WeakPolarHBondContact O-CB 3.3Å; L269-R272 PolarHBondContact O-N 3.49Å; L269-R272 VanDerWaalsContact O-N 3.16Å
270S74.7Confident66Low83 Ų83129.2 Ų129.258%0.5865%0.652SS**THydrogen-bonded Turntrans-69.3-21.2176.7650000113.2T266 A267 T268 R272T266-S270 VanDerWaalsContact O-CB 3.29Å; T266-S270 WeakPolarHBondContact O-CB 3.41Å; T266-S270 PolarHBondContact O-N 2.9Å; T266-S270 PolarHBondContact O-OG 3.01Å; A267-S270 WeakPolarHBondContact CA-OG 3.37Å; A267-S270 PolarHBondContact O-OG 2.73Å; A267-S270 VanDerWaalsContact O-OG 3.05Å; T268-S270 VanDerWaalsContact C-N 3.31Å; T268-S270 PolarHBondContact O-N 3.13Å; S270-R272 VanDerWaalsContact C-N 3.35Å
271K77.9Confident65.5Low169 Ų169132.1 Ų132.174%0.73567%0.673SS**THydrogen-bonded Turntrans-80.8-13.5172.9-69.1176.3-178.3-176.70113.2A267 T268 L269 N273A267-K271 WeakPolarHBondContact O-CG 3.44Å; T268-K271 WeakPolarHBondContact O-CB 3.49Å; T268-K271 PolarHBondContact O-N 3.43Å; L269-K271 PolarHBondContact O-N 3.48Å; K271-N273 PolarHBondContact O-N 2.72Å
272R72.2Confident65.3Low172 Ų172134.4 Ų134.465%0.64968%0.682SS**SBendtrans-68.3123.8171.7-67.6-176.2174.9171.9-1.9107.3L269 S270 R274L269-R272 WeakPolarHBondContact O-CB 3.3Å; L269-R272 PolarHBondContact O-N 3.49Å; L269-R272 VanDerWaalsContact O-N 3.16Å; S270-R272 VanDerWaalsContact C-N 3.35Å; R272-R274 PolarHBondContact O-N 2.71Å
273N63.4Low65.6Low147 Ų147134.2 Ų134.279%0.78668%0.682SS**  trans-54115.1170.6-85.6-6.3000107.7K271 E275K271-N273 PolarHBondContact O-N 2.72Å; N273-E275 VanDerWaalsContact C-N 3.32Å; N273-E275 PolarHBondContact O-N 3.46Å; N273-E275 VanDerWaalsContact O-N 3.12Å
274R60.5Low65.9Low225 Ų225131.4 Ų131.485%0.84967%0.67SS**  trans-78.193.1168.4-67-172.6178.7-173.7-1.6105.9R272 C276R272-R274 PolarHBondContact O-N 2.71Å; R274-C276 PolarHBondContact O-N 3.08Å
275E55.8Low66.3Low170 Ų170140.1 Ų140.179%0.79469%0.693SS**  trans-68.7119.4169.6-68.3-177.6-179.900107.6N273N273-E275 VanDerWaalsContact C-N 3.32Å; N273-E275 PolarHBondContact O-N 3.46Å; N273-E275 VanDerWaalsContact O-N 3.12Å
276C48.8Very low66.6Low94 Ų94135.5 Ų135.564%0.63568%0.681SS**  trans75.5119.9175.4-59.50000118.3R274 Q278R274-C276 PolarHBondContact O-N 3.08Å; C276-Q278 HydrophobicContact CB-CB 3.8Å; C276-Q278 PolarHBondContact O-N 2.89Å
277L56Low66.9Low190 Ų190137.4 Ų137.4100%0.99568%0.68SS**  trans-68.225.4153.8-77.9160.5000111.7E279L277-E279 PolarHBondContact O-N 3.43Å
278Q54.7Low67.1Low146 Ų146138.6 Ų138.668%0.68268%0.683SS**PPolyproline II helixtrans-80.5117.6177.9-164.7165.9-1.500106C276 S280C276-Q278 HydrophobicContact CB-CB 3.8Å; C276-Q278 PolarHBondContact O-N 2.89Å; Q278-S280 PolarHBondContact O-N 3.42Å
279E59.5Low66.9Low177 Ų177138.8 Ų138.883%0.82768%0.684SS**PPolyproline II helixtrans-49.7130.4167.3-71.7179.8157.200107.3L277 D281L277-E279 PolarHBondContact O-N 3.43Å; E279-D281 PolarHBondContact O-N 3.03Å
280S59.1Low66.8Low110 Ų110141 Ų14177%0.76970%0.696SS**PPolyproline II helixtrans-57124.7170.548.10000107.6Q278 E282Q278-S280 PolarHBondContact O-N 3.42Å; S280-E282 PolarHBondContact O-N 3.17Å
281D66.5Low66.4Low137 Ų137144.2 Ų144.273%0.73370%0.699SS**PPolyproline II helixtrans-50.8140.8172.6-67.3-40.5000109.3E279 I283E279-D281 PolarHBondContact O-N 3.03Å; D281-I283 PolarHBondContact O-N 3.37Å; D281-I283 VanDerWaalsContact O-N 3.12Å
282E67.6Low65.8Low188 Ų188140.1 Ų140.188%0.87969%0.686SS**PPolyproline II helixtrans-53123.9179.3-75.4-169.9161.300109.8S280 P284S280-E282 PolarHBondContact O-N 3.17Å; E282-P284 VanDerWaalsContact O-CD 3.31Å; E282-P284 WeakPolarHBondContact O-CD 3.16Å; E282-P284 VanDerWaalsContact O-N 3.14Å
283I72.6Confident65.4Low142 Ų142138.9 Ų138.973%0.72869%0.691SS**PPolyproline II helixtrans-59.8122.4178-56.2171.1000107.2D281 R285D281-I283 PolarHBondContact O-N 3.37Å; D281-I283 VanDerWaalsContact O-N 3.12Å; I283-R285 PolarHBondContact O-N 3.34Å
284P72.6Confident65.4Low58 Ų58135 Ų13538%0.37768%0.675SS.*PPolyproline II helixtrans-54.9136.4178.4-25.433.6000110.7E282 D286 T289 L290E282-P284 VanDerWaalsContact O-CD 3.31Å; E282-P284 WeakPolarHBondContact O-CD 3.16Å; E282-P284 VanDerWaalsContact O-N 3.14Å; P284-D286 PolarHBondContact O-N 3.45Å; P284-T289 WeakPolarHBondContact CB-OG1 3.34Å; P284-L290 HydrophobicContact CG-CD2 4.4Å
285R74.4Confident65.3Low262 Ų262130.6 Ų130.699%0.98967%0.667SS**SBendtrans-62.7-22.3179.8-67.4-177.4-178.7177.51.1113.3I283I283-R285 PolarHBondContact O-N 3.34Å
286D75.4Confident65.4Low84 Ų84131.4 Ų131.445%0.44967%0.669SS.*SBendtrans-103.7113.4176.3-168.1-18000109.3P284 T288 T289P284-D286 PolarHBondContact O-N 3.45Å; D286-T288 PolarHBondContact O-N 3.49Å; D286-T288 VanDerWaalsContact O-N 3.15Å; D286-T288 PolarHBondContact OD1-N 3.35Å; D286-T288 VanDerWaalsContact OD1-N 3.09Å; D286-T288 PolarHBondContact OD1-OG1 3.22Å; D286-T288 PolarHBondContact OD2-OG1 3.05Å; D286-T289 HydrophobicContact CB-CG2 4.45Å; D286-T289 PolarHBondContact O-N 3.16Å; D286-T289 PolarHBondContact O-OG1 2.96Å
287F76.7Confident66Low142 Ų142133.7 Ų133.762%0.62367%0.67SS**G310 helixtrans-66.3-15.3-177.670.2-86.2000112.8T289 L290 F291F287-T289 VanDerWaalsContact C-N 3.34Å; F287-L290 WeakPolarHBondContact O-CB 3.48Å; F287-L290 PolarHBondContact O-N 3.49Å; F287-F291 HydrophobicContact CD2-CE2 4.13Å; F287-F291 VanDerWaalsContact O-CD2 3.29Å; F287-F291 WeakPolarHBondContact O-CD2 3.1Å; F287-F291 WeakPolarHBondContact O-CE2 3.47Å
288T76.7Confident66.2Low76 Ų76133 Ų13347%0.46667%0.666SS.*G310 helixtrans-73.8-24179.554.50000113.1D286 L290 F291D286-T288 PolarHBondContact O-N 3.49Å; D286-T288 VanDerWaalsContact O-N 3.15Å; D286-T288 PolarHBondContact OD1-N 3.35Å; D286-T288 VanDerWaalsContact OD1-N 3.09Å; D286-T288 PolarHBondContact OD1-OG1 3.22Å; D286-T288 PolarHBondContact OD2-OG1 3.05Å; T288-L290 PolarHBondContact O-N 3.48Å; T288-F291 PolarHBondContact O-N 3.32Å; T288-F291 VanDerWaalsContact O-N 3.12Å
289T70.3Confident66.7Low80 Ų80130.8 Ų130.849%0.49166%0.659SS.*G310 helixtrans-71.5-15.417562.10000113P284 D286 F287 F291P284-T289 WeakPolarHBondContact CB-OG1 3.34Å; D286-T289 HydrophobicContact CB-CG2 4.45Å; D286-T289 PolarHBondContact O-N 3.16Å; D286-T289 PolarHBondContact O-OG1 2.96Å; F287-T289 VanDerWaalsContact C-N 3.34Å; T289-F291 PolarHBondContact O-N 2.95Å
290L68Low67.5Low109 Ų109127.3 Ų127.357%0.57165%0.65SS**G310 helixtrans-74.4-14.2172.3-63.1170000112.3P284 F287 T288 D292P284-L290 HydrophobicContact CG-CD2 4.4Å; F287-L290 WeakPolarHBondContact O-CB 3.48Å; F287-L290 PolarHBondContact O-N 3.49Å; T288-L290 PolarHBondContact O-N 3.48Å; L290-D292 VanDerWaalsContact C-N 3.34Å; L290-D292 PolarHBondContact O-N 3.4Å
291F66.6Low68.6Low151 Ų151126.7 Ų126.766%0.66264%0.642SS**  trans-98.845.5177.5-62.5-84.8000111.3F287 T288 T289 L293F287-F291 HydrophobicContact CD2-CE2 4.13Å; F287-F291 VanDerWaalsContact O-CD2 3.29Å; F287-F291 WeakPolarHBondContact O-CD2 3.1Å; F287-F291 WeakPolarHBondContact O-CE2 3.47Å; T288-F291 PolarHBondContact O-N 3.32Å; T288-F291 VanDerWaalsContact O-N 3.12Å; T289-F291 PolarHBondContact O-N 2.95Å; F291-L293 PolarHBondContact O-N 3.12Å
292D64.7Low69Low83 Ų83123.9 Ų123.944%0.44463%0.633SS.*  trans-74.399.6174.9-166.7-7.5000110.2L290 S294 I295L290-D292 VanDerWaalsContact C-N 3.34Å; L290-D292 PolarHBondContact O-N 3.4Å; D292-S294 PolarHBondContact O-N 3.47Å; D292-S294 WeakPolarHBondContact OD1-CB 3.39Å; D292-S294 PolarHBondContact OD1-N 2.87Å; D292-S294 PolarHBondContact OD1-OG 2.74Å; D292-S294 PolarHBondContact OD2-OG 2.97Å; D292-S294 VanDerWaalsContact OD2-OG 3.12Å; D292-I295 HydrophobicContact CB-CD1 4.06Å; D292-I295 HydrophobicContact CB-CG1 4.18Å
293L63.8Low69.7Low145 Ų145120.8 Ų120.876%0.75962%0.617SS**G310 helixtrans-74.8-8.7177.6-64.6170.5000112.7F291 I295 F296F291-L293 PolarHBondContact O-N 3.12Å; L293-I295 VanDerWaalsContact C-N 3.26Å; L293-I295 PolarHBondContact O-N 2.61Å; L293-F296 PolarHBondContact O-N 3.12Å
294S63.2Low70.1Confident65 Ų65119.8 Ų119.846%0.45561%0.609SS.*G310 helixtrans-69.1-24.6178.774.20000112.7D292 F296 Q297D292-S294 PolarHBondContact O-N 3.47Å; D292-S294 WeakPolarHBondContact OD1-CB 3.39Å; D292-S294 PolarHBondContact OD1-N 2.87Å; D292-S294 PolarHBondContact OD1-OG 2.74Å; D292-S294 PolarHBondContact OD2-OG 2.97Å; D292-S294 VanDerWaalsContact OD2-OG 3.12Å; S294-F296 PolarHBondContact O-N 2.88Å; S294-F296 VanDerWaalsContact O-N 3.16Å; S294-Q297 VanDerWaalsContact O-CB 3.3Å; S294-Q297 WeakPolarHBondContact O-CB 3.49Å; S294-Q297 PolarHBondContact O-N 3.18Å
295I58.8Low70.6Confident133 Ų133120.7 Ų120.768%0.68262%0.616SS**G310 helixtrans-64.7-21.8179.5-45.4173000111.3D292 L293D292-I295 HydrophobicContact CB-CD1 4.06Å; D292-I295 HydrophobicContact CB-CG1 4.18Å; L293-I295 VanDerWaalsContact C-N 3.26Å; L293-I295 PolarHBondContact O-N 2.61Å
296F57.3Low70.9Confident188 Ų188111.9 Ų111.983%0.82559%0.591SS**G310 helixtrans-97.120.2176.7-70.3-81000113.5L293 S294L293-F296 PolarHBondContact O-N 3.12Å; S294-F296 PolarHBondContact O-N 2.88Å; S294-F296 VanDerWaalsContact O-N 3.16Å
297Q61.8Low71.2Confident142 Ų142111.3 Ų111.366%0.66459%0.587SS**  trans-91121.6174-167169.6-8.200110.7S294 D299S294-Q297 VanDerWaalsContact O-CB 3.3Å; S294-Q297 WeakPolarHBondContact O-CB 3.49Å; S294-Q297 PolarHBondContact O-N 3.18Å; Q297-D299 VanDerWaalsContact C-N 3.3Å; Q297-D299 PolarHBondContact O-N 3.46Å
298L60.7Low71.7Confident174 Ų174108.8 Ų108.891%0.91158%0.578SS**  trans-70.688.1167.1-99.5152.5000108.6
299D65Low72.1Confident100 Ų100106.8 Ų106.854%0.53557%0.569SS.*  trans-91.6127.5174.5-165.95.5000110.9Q297 T301Q297-D299 VanDerWaalsContact C-N 3.3Å; Q297-D299 PolarHBondContact O-N 3.46Å; D299-T301 WeakPolarHBondContact OD1-CG2 3.49Å; D299-T301 PolarHBondContact OD1-N 3.36Å; D299-T301 VanDerWaalsContact OD1-N 3.09Å; D299-T301 PolarHBondContact OD1-OG1 2.86Å; D299-T301 VanDerWaalsContact OD1-OG1 3.12Å; D299-T301 PolarHBondContact OD2-OG1 3.12Å
300T75.6Confident72.7Confident104 Ų104105.6 Ų105.664%0.63856%0.557SS**  trans-104.84.7-179.536.30000112.6S302 F303T300-S302 VanDerWaalsContact C-N 3.26Å; T300-S302 PolarHBondContact O-N 3.48Å; T300-F303 WeakPolarHBondContact O-CB 3.28Å; T300-F303 PolarHBondContact O-N 3.23Å
301T81.5Confident73.3Confident98 Ų98108.2 Ų108.260%0.60157%0.567SS**THydrogen-bonded Turntrans-51.5-42.2177.148.40000113.1D299 F303D299-T301 WeakPolarHBondContact OD1-CG2 3.49Å; D299-T301 PolarHBondContact OD1-N 3.36Å; D299-T301 VanDerWaalsContact OD1-N 3.09Å; D299-T301 PolarHBondContact OD1-OG1 2.86Å; D299-T301 VanDerWaalsContact OD1-OG1 3.12Å; D299-T301 PolarHBondContact OD2-OG1 3.12Å; T301-F303 VanDerWaalsContact C-N 3.29Å; T301-F303 PolarHBondContact O-N 2.91Å
302S76.8Confident74.3Confident77 Ų77108.8 Ų108.854%0.53857%0.571SS.*THydrogen-bonded Turntrans-79.3-6.1-178.3-57.90000114.5T300 H304 S305 V306T300-S302 VanDerWaalsContact C-N 3.26Å; T300-S302 PolarHBondContact O-N 3.48Å; S302-H304 VanDerWaalsContact C-N 3.32Å; S302-H304 PolarHBondContact O-N 3.5Å; S302-S305 PolarHBondContact O-N 2.96Å; S302-V306 WeakPolarHBondContact O-CG2 3.49Å; S302-V306 PolarHBondContact O-N 3.46Å; S302-V306 VanDerWaalsContact O-N 3.13Å
303F80.3Confident75.3Confident124 Ų124111 Ų11154%0.54458%0.582SS.*Hα-helixtrans-64-37.3-174.2-168.2-108000112.3T300 T301 V306 I307T300-F303 WeakPolarHBondContact O-CB 3.28Å; T300-F303 PolarHBondContact O-N 3.23Å; T301-F303 VanDerWaalsContact C-N 3.29Å; T301-F303 PolarHBondContact O-N 2.91Å; F303-V306 PolarHBondContact O-N 3.29Å; F303-I307 HydrophobicContact CD1-CD1 3.64Å; F303-I307 HydrophobicContact CD1-CG1 4.49Å; F303-I307 HydrophobicContact CE1-CD1 3.39Å; F303-I307 HydrophobicContact CE1-CG1 4.3Å; F303-I307 HydrophobicContact CZ-CD1 4.06Å; F303-I307 WeakPolarHBondContact O-CG1 3.28Å; F303-I307 PolarHBondContact O-N 2.96Å; F303-I307 VanDerWaalsContact O-N 3.08Å
304H82.7Confident76.2Confident121 Ų121111.4 Ų111.456%0.5659%0.585SS**Hα-helixtrans-63.6-46.6177.4-169-79.4000111.9S302 V306 I307 E308S302-H304 VanDerWaalsContact C-N 3.32Å; S302-H304 PolarHBondContact O-N 3.5Å; H304-V306 VanDerWaalsContact C-N 3.27Å; H304-V306 PolarHBondContact O-N 3.27Å; H304-I307 PolarHBondContact O-N 3.45Å; H304-I307 VanDerWaalsContact O-N 3.17Å; H304-E308 VanDerWaalsContact CE1-CD 3.45Å; H304-E308 IonicContact CE1-OE1 3.96Å; H304-E308 PolarHBondContact CE1-OE1 3.05Å; H304-E308 IonicContact CE1-OE2 2.75Å; H304-E308 IonicContact ND1-OE1 3.6Å; H304-E308 IonicContact ND1-OE2 2.94Å; H304-E308 PolarHBondContact O-N 2.86Å
305S82.8Confident77Confident76 Ų76112.3 Ų112.353%0.53159%0.588SS.*Hα-helixtrans-63.2-34.5178.4-54.20000112.2S302 A309S302-S305 PolarHBondContact O-N 2.96Å; S305-A309 WeakPolarHBondContact O-CB 3.14Å; S305-A309 PolarHBondContact O-N 2.71Å
306V80.9Confident77.9Confident77 Ų77113.5 Ų113.547%0.46759%0.588SS.*Hα-helixtrans-67.8-40.1175173.30000111.3S302 F303 H304 A309 H310S302-V306 WeakPolarHBondContact O-CG2 3.49Å; S302-V306 PolarHBondContact O-N 3.46Å; S302-V306 VanDerWaalsContact O-N 3.13Å; F303-V306 PolarHBondContact O-N 3.29Å; H304-V306 VanDerWaalsContact C-N 3.27Å; H304-V306 PolarHBondContact O-N 3.27Å; V306-A309 PolarHBondContact O-N 3.12Å; V306-H310 PolarHBondContact O-N 3.09Å; V306-H310 PolarHBondContact O-ND1 2.95Å
307I81.8Confident78.8Confident72 Ų72110.8 Ų110.837%0.36958%0.578SS.*Hα-helixtrans-64.7-46.8176.5-68.9167.6000110.8F303 H304 A309 H310F303-I307 HydrophobicContact CD1-CD1 3.64Å; F303-I307 HydrophobicContact CD1-CG1 4.49Å; F303-I307 HydrophobicContact CE1-CD1 3.39Å; F303-I307 HydrophobicContact CE1-CG1 4.3Å; F303-I307 HydrophobicContact CZ-CD1 4.06Å; F303-I307 WeakPolarHBondContact O-CG1 3.28Å; F303-I307 PolarHBondContact O-N 2.96Å; F303-I307 VanDerWaalsContact O-N 3.08Å; H304-I307 PolarHBondContact O-N 3.45Å; H304-I307 VanDerWaalsContact O-N 3.17Å; I307-A309 PolarHBondContact O-N 3.19Å; I307-H310 WeakPolarHBondContact O-CB 3.4Å; I307-H310 PolarHBondContact O-N 3.26Å; I307-H310 VanDerWaalsContact O-N 3.12Å
308E85.5Confident79.6Confident90 Ų90109.9 Ų109.942%0.42157%0.574SS.*Hα-helixtrans-60.2-36176.9-72.8-179.2148.600112.2H304 H310 E311 Q312H304-E308 VanDerWaalsContact CE1-CD 3.45Å; H304-E308 IonicContact CE1-OE1 3.96Å; H304-E308 PolarHBondContact CE1-OE1 3.05Å; H304-E308 IonicContact CE1-OE2 2.75Å; H304-E308 IonicContact ND1-OE1 3.6Å; H304-E308 IonicContact ND1-OE2 2.94Å; H304-E308 PolarHBondContact O-N 2.86Å; E308-H310 VanDerWaalsContact C-N 3.28Å; E308-H310 PolarHBondContact O-N 2.79Å; E308-E311 PolarHBondContact O-N 3.45Å; E308-Q312 PolarHBondContact O-N 3.38Å; E308-Q312 VanDerWaalsContact O-N 3.12Å
309A85.3Confident80.3Confident33 Ų33107.1 Ų107.127%0.27357%0.566SS.*Hα-helixtrans-64.1-30.7177.500000113.1S305 V306 I307 E311 Q312 L313S305-A309 WeakPolarHBondContact O-CB 3.14Å; S305-A309 PolarHBondContact O-N 2.71Å; V306-A309 PolarHBondContact O-N 3.12Å; I307-A309 PolarHBondContact O-N 3.19Å; A309-E311 VanDerWaalsContact C-N 3.33Å; A309-E311 PolarHBondContact O-N 3.01Å; A309-Q312 PolarHBondContact O-N 3.23Å; A309-L313 VanDerWaalsContact O-CB 3.31Å; A309-L313 WeakPolarHBondContact O-CB 3.4Å; A309-L313 VanDerWaalsContact O-CG 3.28Å; A309-L313 WeakPolarHBondContact O-CG 3.46Å; A309-L313 PolarHBondContact O-N 3.47Å
310H83.1Confident80.6Confident55 Ų55110.9 Ų110.926%0.25559%0.586SS.*Hα-helixtrans-64.3-39.9175.9-75.276000111.6V306 I307 E308 N314 V315 H317V306-H310 PolarHBondContact O-N 3.09Å; V306-H310 PolarHBondContact O-ND1 2.95Å; I307-H310 WeakPolarHBondContact O-CB 3.4Å; I307-H310 PolarHBondContact O-N 3.26Å; I307-H310 VanDerWaalsContact O-N 3.12Å; E308-H310 VanDerWaalsContact C-N 3.28Å; E308-H310 PolarHBondContact O-N 2.79Å; H310-N314 PolarHBondContact O-N 3.4Å; H310-N314 VanDerWaalsContact O-N 3.12Å; H310-V315 PolarHBondContact O-N 3.22Å; H310-H317 AromaticContact CD2-CD2 3.96Å; H310-H317 AromaticContact NE2-CD2 3.95Å
311E82.1Confident80.4Confident164 Ų164114 Ų11477%0.76659%0.593SS**Hα-helixtrans-66.2-44.6174.5-69-17016200111.5E308 A309 L313 N314E308-E311 PolarHBondContact O-N 3.45Å; A309-E311 VanDerWaalsContact C-N 3.33Å; A309-E311 PolarHBondContact O-N 3.01Å; E311-L313 VanDerWaalsContact C-N 3.35Å; E311-L313 PolarHBondContact O-N 3.05Å; E311-N314 PolarHBondContact O-N 3.44Å
312Q87.4Confident79.8Confident163 Ų163117.3 Ų117.376%0.76261%0.606SS**Hα-helixtrans-64.3-38.3179.5-68.9-178.89.100112.9E308 A309 N314E308-Q312 PolarHBondContact O-N 3.38Å; E308-Q312 VanDerWaalsContact O-N 3.12Å; A309-Q312 PolarHBondContact O-N 3.23Å; Q312-N314 VanDerWaalsContact C-N 3.27Å
313L85.2Confident79.4Confident129 Ų129120.9 Ų120.968%0.67562%0.617SS**THydrogen-bonded Turntrans-84.8-1.7179.8-64.6171.9000112.9A309 E311 V315A309-L313 VanDerWaalsContact O-CB 3.31Å; A309-L313 WeakPolarHBondContact O-CB 3.4Å; A309-L313 VanDerWaalsContact O-CG 3.28Å; A309-L313 WeakPolarHBondContact O-CG 3.46Å; A309-L313 PolarHBondContact O-N 3.47Å; E311-L313 VanDerWaalsContact C-N 3.35Å; E311-L313 PolarHBondContact O-N 3.05Å; L313-V315 HydrophobicContact CB-CG2 3.9Å; L313-V315 PolarHBondContact O-N 3.42Å
314N81.9Confident78.7Confident154 Ų154122.9 Ų122.982%0.82463%0.628SS**THydrogen-bonded Turntrans53.235.7-176.8-156.220.8000112.5H310 E311 Q312H310-N314 PolarHBondContact O-N 3.4Å; H310-N314 VanDerWaalsContact O-N 3.12Å; E311-N314 PolarHBondContact O-N 3.44Å; Q312-N314 VanDerWaalsContact C-N 3.27Å
315V80.4Confident77.9Confident84 Ų84121 Ų12151%0.50963%0.627SS.*  trans-98.7130177.8179.10000108.1H310 L313 H317H310-V315 PolarHBondContact O-N 3.22Å; L313-V315 HydrophobicContact CB-CG2 3.9Å; L313-V315 PolarHBondContact O-N 3.42Å; V315-H317 PolarHBondContact O-N 3.34Å
316K78.4Confident76.8Confident158 Ų158126.7 Ų126.769%0.68765%0.645SS**  trans-64.7127.9178.1-69.4-178.1179.71780110.4E318K316-E318 VanDerWaalsContact C-N 3.28Å; K316-E318 HydrophobicContact CB-CG 4.17Å; K316-E318 PolarHBondContact O-N 3Å
317H76.4Confident76Confident131 Ų131130.7 Ų130.761%0.60666%0.657SS**  trans-79.578173.5-174.1-97.2000110H310 V315H310-H317 AromaticContact CD2-CD2 3.96Å; H310-H317 AromaticContact NE2-CD2 3.95Å; V315-H317 PolarHBondContact O-N 3.34Å
318E77.9Confident75.1Confident124 Ų124136.1 Ų136.158%0.57968%0.68SS**SBendtrans-129.8153.6178.264.3-170.1164.500111.2K316 L320K316-E318 VanDerWaalsContact C-N 3.28Å; K316-E318 HydrophobicContact CB-CG 4.17Å; K316-E318 PolarHBondContact O-N 3Å; E318-L320 PolarHBondContact O-N 2.72Å; E318-L320 VanDerWaalsContact O-N 3.16Å
319P75.1Confident73.9Confident116 Ų116137.3 Ų137.375%0.75369%0.694SS**  trans-57.9122.8177-15.727.2000109.3Q321P319-Q321 PolarHBondContact O-N 3.18Å
320L71Confident72.8Confident179 Ų179141.5 Ų141.594%0.93772%0.718SS**  trans-53.9113.3-178.9-74166.7000110E318E318-L320 PolarHBondContact O-N 2.72Å; E318-L320 VanDerWaalsContact O-N 3.16Å
321Q71.6Confident71.7Confident168 Ų168145.5 Ų145.579%0.78574%0.741SS**  trans-87148.3169.3-63.6-172.53.900108.9P319 I323P319-Q321 PolarHBondContact O-N 3.18Å; Q321-I323 PolarHBondContact O-N 3.42Å
322L69.8Low71Confident169 Ų169142.9 Ų142.989%0.88574%0.738SS**  trans-64100.1175-123.5121.5000108.5Q324L322-Q324 PolarHBondContact O-N 2.91Å; L322-Q324 VanDerWaalsContact O-N 3.08Å
323I68.1Low70.1Confident151 Ų151141.4 Ų141.477%0.77474%0.741SS**  trans-68.4108.1169.9-58.4174.9000105.6Q321 P325Q321-I323 PolarHBondContact O-N 3.42Å; I323-P325 WeakPolarHBondContact O-CD 3.29Å
324Q66.3Low69.1Low166 Ų166143.7 Ų143.778%0.77675%0.753SS**  trans-65.6116.3170.5-71.7-165.9-5.700107.6L322 Q326L322-Q324 PolarHBondContact O-N 2.91Å; L322-Q324 VanDerWaalsContact O-N 3.08Å; Q324-Q326 PolarHBondContact O-N 3.01Å; Q324-Q326 VanDerWaalsContact O-N 3.09Å
325P64.1Low68.5Low83 Ų83144.7 Ų144.754%0.53975%0.752SS.*  trans-61.7118.6178.425.2-33.4000108.7I323 F327I323-P325 WeakPolarHBondContact O-CD 3.29Å; P325-F327 HydrophobicContact CB-CD2 4.1Å; P325-F327 HydrophobicContact CB-CE1 4.48Å; P325-F327 HydrophobicContact CB-CE2 3.63Å; P325-F327 HydrophobicContact CB-CZ 3.84Å; P325-F327 HydrophobicContact CG-CD2 4.09Å; P325-F327 HydrophobicContact CG-CE2 3.36Å; P325-F327 HydrophobicContact CG-CZ 3.83Å; P325-F327 PolarHBondContact O-N 3.43Å; P325-F327 VanDerWaalsContact O-N 3.13Å
326Q61.4Low67.8Low194 Ų194146.4 Ų146.491%0.90777%0.765SS**  trans-77.195.9165.4-78.7-175.8-12.500107.4Q324 E328Q324-Q326 PolarHBondContact O-N 3.01Å; Q324-Q326 VanDerWaalsContact O-N 3.09Å; Q326-E328 PolarHBondContact O-N 3.48Å
327F63.9Low67.3Low161 Ų161143.3 Ų143.371%0.70677%0.769SS**  trans-75.5106.1168.9-66.5-76.8000108.1P325 T329P325-F327 HydrophobicContact CB-CD2 4.1Å; P325-F327 HydrophobicContact CB-CE1 4.48Å; P325-F327 HydrophobicContact CB-CE2 3.63Å; P325-F327 HydrophobicContact CB-CZ 3.84Å; P325-F327 HydrophobicContact CG-CD2 4.09Å; P325-F327 HydrophobicContact CG-CE2 3.36Å; P325-F327 HydrophobicContact CG-CZ 3.83Å; P325-F327 PolarHBondContact O-N 3.43Å; P325-F327 VanDerWaalsContact O-N 3.13Å; F327-T329 HydrophobicContact CB-CG2 4.49Å; F327-T329 PolarHBondContact O-N 3.42Å; F327-T329 VanDerWaalsContact O-N 3.11Å
328E63.1Low67.4Low186 Ų186143.2 Ų143.287%0.86978%0.777SS**  trans-62.9112.2156.7-69.9-171.616900106.6Q326 P330Q326-E328 PolarHBondContact O-N 3.48Å; E328-P330 WeakPolarHBondContact O-CD 3.47Å
329T60.5Low67.1Low116 Ų116145.3 Ų145.371%0.71279%0.785SS**  trans-95.886.2171.4490000108F327 L331F327-T329 HydrophobicContact CB-CG2 4.49Å; F327-T329 PolarHBondContact O-N 3.42Å; F327-T329 VanDerWaalsContact O-N 3.11Å; T329-L331 PolarHBondContact O-N 3.14Å
330P61.5Low66.8Low120 Ų120144.9 Ų144.978%0.77978%0.782SS**  trans-69.9-12.4-179.529.5-36.8000112.5E328E328-P330 WeakPolarHBondContact O-CD 3.47Å
331L60.3Low66.6Low139 Ų139141.1 Ų141.173%0.72877%0.768SS**SBendtrans-94.5138.7-176.4-67.5167.1000111T329T329-L331 PolarHBondContact O-N 3.14Å
332P66.3Low66.5Low110 Ų110138.9 Ų138.971%0.71477%0.771SS**PPolyproline II helixtrans-62155.6174.625.9-32.6000111.2L334P332-L334 PolarHBondContact O-N 3.24Å
333T68.9Low66.5Low132 Ų132139.5 Ų139.581%0.8177%0.767SS**PPolyproline II helixtrans-55.1122.5-179.650.40000111.4Q335T333-Q335 PolarHBondContact O-N 3.13Å
334L64.6Low66.5Low177 Ų177144 Ų14493%0.92777%0.774SS**PPolyproline II helixtrans-59.2130.5-179.5-67.9166.9000111.1P332P332-L334 PolarHBondContact O-N 3.24Å
335Q69.2Low66.6Low175 Ų175144.9 Ų144.982%0.81878%0.778SS**PPolyproline II helixtrans-98.8143171.9-69.7-173.5-15.600110.4T333T333-Q335 PolarHBondContact O-N 3.13Å
336P64.3Low66.9Low120 Ų120148.5 Ų148.578%0.77979%0.792SS**PPolyproline II helixtrans-64.2135178.824.2-31.3000111.5V338P336-V338 PolarHBondContact O-N 2.82Å
337A68.6Low67.5Low92 Ų92144.4 Ų144.476%0.7678%0.783SS**PPolyproline II helixtrans-69.7119178.900000110.7F339A337-F339 PolarHBondContact O-N 3.04Å
338V78.4Confident68Low130 Ų130142 Ų14279%0.78878%0.783SS**SBendtrans-78-4.8173.7-95.70000113.4P336P336-V338 PolarHBondContact O-N 2.82Å
339F72.8Confident68.4Low168 Ų168137.4 Ų137.474%0.73777%0.769SS**SBendtrans-123.4137.2178.1-61.1-76.9000110.7A337A337-F339 PolarHBondContact O-N 3.04Å
340P68.8Low69.2Low107 Ų107135.7 Ų135.770%0.69576%0.76SS**  trans-63142.2174.922.9-29000110.6S342P340-S342 PolarHBondContact O-N 3.24Å
341P65.9Low69.4Low99 Ų99135.2 Ų135.264%0.64375%0.75SS**  trans-63.1122.2-179.124.3-31.8000110.4F343P341-F343 HydrophobicContact CG-CE2 4.27Å; P341-F343 HydrophobicContact CG-CZ 4.36Å; P341-F343 PolarHBondContact O-N 3.39Å
342S68.9Low69.9Low121 Ų121137.9 Ų137.985%0.84676%0.759SS**  trans-79.6102.2173.9-38.30000108.6P340P340-S342 PolarHBondContact O-N 3.24Å
343F71.5Confident70.3Confident182 Ų182139.5 Ų139.580%0.79876%0.761SS**PPolyproline II helixtrans-66.8136.5172.1-64.5-81.7000109.3P341 E345P341-F343 HydrophobicContact CG-CE2 4.27Å; P341-F343 HydrophobicContact CG-CZ 4.36Å; P341-F343 PolarHBondContact O-N 3.39Å; F343-E345 PolarHBondContact O-N 3.38Å
344R67.4Low70.1Confident246 Ų246139.2 Ų139.293%0.92875%0.749SS**PPolyproline II helixtrans-65.1123.6171.3-83.3-178.3174.1172.4-2.2108.6
345E68.4Low70.5Confident184 Ų184135.2 Ų135.286%0.8673%0.728SS**PPolyproline II helixtrans-59.7144.6167.5-69.6-178.6168.700109.6F343F343-E345 PolarHBondContact O-N 3.38Å
346L69.7Low70.7Confident160 Ų160130.6 Ų130.684%0.83871%0.709SS**PPolyproline II helixtrans-61.2141.3175.5-71.3167000109.2
347P74.7Confident71Confident108 Ų108131.1 Ų131.170%0.70171%0.705SS**PPolyproline II helixtrans-60.1142.4174.825.7-32.3000109.7
348P73.2Confident71.1Confident109 Ų109132.1 Ų132.171%0.70869%0.694SS**PPolyproline II helixtrans-60152.1175.525.8-33.3000110.4
349P72.8Confident70.7Confident91 Ų91130 Ų13059%0.59168%0.682SS**PPolyproline II helixtrans-57142178.123.9-32.9000110.4L351P349-L351 VanDerWaalsContact C-N 3.3Å; P349-L351 PolarHBondContact O-N 3.06Å
350P76.5Confident70.8Confident80 Ų80130 Ų13052%0.51968%0.682SS.*  trans-72.385.8-178.329.5-34.2000110.2E352 L353P350-E352 PolarHBondContact O-N 3.31Å; P350-E352 VanDerWaalsContact O-N 3.16Å; P350-L353 HydrophobicContact CB-CD1 4.17Å; P350-L353 HydrophobicContact CB-CG 4.38Å; P350-L353 HydrophobicContact CG-CD1 3.91Å; P350-L353 PolarHBondContact O-N 3.12Å; P350-L353 VanDerWaalsContact O-N 3.15Å
351L65.2Low71.3Confident109 Ų109126.4 Ų126.457%0.57166%0.659SS**G310 helixtrans-60.3-20.9179.4-71.9166.1000113P349 L353 F354 L356P349-L351 VanDerWaalsContact C-N 3.3Å; P349-L351 PolarHBondContact O-N 3.06Å; L351-L353 PolarHBondContact O-N 3Å; L351-F354 PolarHBondContact O-N 3.32Å; L351-F354 VanDerWaalsContact O-N 3.15Å; L351-L356 HydrophobicContact CD2-CD2 4.43Å
352E72.9Confident72.1Confident196 Ų196125.3 Ų125.392%0.91665%0.653SS**G310 helixtrans-64.2-17.6175.8-63.1-179.3177.400113.7P350P350-E352 PolarHBondContact O-N 3.31Å; P350-E352 VanDerWaalsContact O-N 3.16Å
353L73.4Confident72.8Confident143 Ų143125 Ų12575%0.74964%0.639SS**G310 helixtrans-91.2-5.4177.5-61.5177.7000113.3P350 L351P350-L353 HydrophobicContact CB-CD1 4.17Å; P350-L353 HydrophobicContact CB-CG 4.38Å; P350-L353 HydrophobicContact CG-CD1 3.91Å; P350-L353 PolarHBondContact O-N 3.12Å; P350-L353 VanDerWaalsContact O-N 3.15Å; L351-L353 PolarHBondContact O-N 3Å
354F65.4Low73.4Confident126 Ų126124.8 Ų124.855%0.55364%0.637SS**SBendtrans-107.2126.3-179.6-74.2-89.3000110.3L351 L356L351-F354 PolarHBondContact O-N 3.32Å; L351-F354 VanDerWaalsContact O-N 3.15Å; F354-L356 HydrophobicContact CB-CD2 4.31Å; F354-L356 PolarHBondContact O-N 3.45Å
355D73.6Confident74.1Confident93 Ų93115 Ų11550%0.49761%0.609SS.*  trans-72.197.2166.6-167.7-28.7000108.3D357 E358 T359D355-D357 PolarHBondContact O-N 3.16Å; D355-D357 WeakPolarHBondContact OD1-CB 3.41Å; D355-D357 PolarHBondContact OD1-N 3.3Å; D355-E358 HydrophobicContact CB-CB 3.98Å; D355-E358 PolarHBondContact O-N 3Å; D355-E358 PolarHBondContact OD1-N 2.91Å; D355-T359 PolarHBondContact O-N 2.98Å; D355-T359 VanDerWaalsContact O-N 3.12Å; D355-T359 PolarHBondContact O-OG1 3.27Å
356L72.9Confident74.7Confident79 Ų79109.6 Ų109.641%0.41458%0.581SS.*Hα-helixtrans-64.4-30.8-179.5-58.7178.2000110.9L351 F354 T359 F360L351-L356 HydrophobicContact CD2-CD2 4.43Å; F354-L356 HydrophobicContact CB-CD2 4.31Å; F354-L356 PolarHBondContact O-N 3.45Å; L356-T359 WeakPolarHBondContact CA-OG1 3.34Å; L356-T359 PolarHBondContact O-N 3.22Å; L356-T359 PolarHBondContact O-OG1 3.16Å; L356-F360 HydrophobicContact CB-CD2 4.15Å; L356-F360 HydrophobicContact CD2-CD2 4.36Å; L356-F360 HydrophobicContact CD2-CE2 3.88Å; L356-F360 WeakPolarHBondContact O-CB 3.47Å; L356-F360 VanDerWaalsContact O-CD2 3.25Å; L356-F360 WeakPolarHBondContact O-CD2 3.36Å; L356-F360 PolarHBondContact O-N 3.42Å
357D70.4Confident75.4Confident130 Ų130103.9 Ų103.970%0.69555%0.551SS**Hα-helixtrans-72.5-38.4178.2-73.4-26000110.5D355 S361D355-D357 PolarHBondContact O-N 3.16Å; D355-D357 WeakPolarHBondContact OD1-CB 3.41Å; D355-D357 PolarHBondContact OD1-N 3.3Å; D357-S361 WeakPolarHBondContact O-CB 3.49Å; D357-S361 PolarHBondContact O-N 3.37Å; D357-S361 PolarHBondContact O-OG 3.48Å
358E70Confident75.9Confident113 Ų113101.1 Ų101.153%0.52854%0.537SS..Hα-helixtrans-65.8-38.5174.4-173.8171.9-167.300112.6D355 R366D355-E358 HydrophobicContact CB-CB 3.98Å; D355-E358 PolarHBondContact O-N 3Å; D355-E358 PolarHBondContact OD1-N 2.91Å; E358-R366 IonicContact OE1-NH2 3.66Å
359T69.5Low76.3Confident86 Ų86100.8 Ų100.853%0.52853%0.526SS..Hα-helixtrans-82.9-31.3-174.348.40000114D355 L356D355-T359 PolarHBondContact O-N 2.98Å; D355-T359 VanDerWaalsContact O-N 3.12Å; D355-T359 PolarHBondContact O-OG1 3.27Å; L356-T359 WeakPolarHBondContact CA-OG1 3.34Å; L356-T359 PolarHBondContact O-N 3.22Å; L356-T359 PolarHBondContact O-OG1 3.16Å
360F74.8Confident76.9Confident169 Ų16998 Ų9874%0.74151%0.506SS*.Hα-helixtrans-104.1-7.3-179.4-66-73.1000114.3L356 S362L356-F360 HydrophobicContact CB-CD2 4.15Å; L356-F360 HydrophobicContact CD2-CD2 4.36Å; L356-F360 HydrophobicContact CD2-CE2 3.88Å; L356-F360 WeakPolarHBondContact O-CB 3.47Å; L356-F360 VanDerWaalsContact O-CD2 3.25Å; L356-F360 WeakPolarHBondContact O-CD2 3.36Å; L356-F360 PolarHBondContact O-N 3.42Å; F360-S362 PolarHBondContact O-N 3.08Å
361S80.8Confident77.3Confident31 Ų3197.3 Ų97.322%0.21750%0.5CS..SBendtrans-69.4132.7176.3530000112D357 R366D357-S361 WeakPolarHBondContact O-CB 3.49Å; D357-S361 PolarHBondContact O-N 3.37Å; D357-S361 PolarHBondContact O-OG 3.48Å; S361-R366 VanDerWaalsContact OG-CD 3.26Å; S361-R366 WeakPolarHBondContact OG-CD 3.43Å; S361-R366 WeakPolarHBondContact OG-CG 3.43Å
362S82.6Confident78.2Confident75 Ų7598.8 Ų98.852%0.52451%0.509SS..  trans-60149.5172.968.60000111.5F360 K364 A365 R366F360-S362 PolarHBondContact O-N 3.08Å; S362-K364 PolarHBondContact O-N 3.08Å; S362-K364 VanDerWaalsContact O-N 3.1Å; S362-A365 PolarHBondContact O-N 3.36Å; S362-A365 PolarHBondContact OG-N 3.13Å; S362-R366 PolarHBondContact O-N 3.32Å; S362-R366 VanDerWaalsContact O-N 3.11Å
363E82.9Confident78.7Confident115 Ų11597.3 Ų97.354%0.53750%0.499SS..Hα-helixtrans-50.3-39.3178.5-63.8171.3-179.700112.3R366 L367 I389E363-R366 PolarHBondContact O-N 3.13Å; E363-L367 VanDerWaalsContact O-CG 3.3Å; E363-L367 WeakPolarHBondContact O-CG 3.18Å; E363-L367 PolarHBondContact O-N 2.62Å; E363-I389 HydrophobicContact CB-CG2 4.12Å; E363-I389 HydrophobicContact CG-CG2 4.42Å
364K83.6Confident79.2Confident177 Ų17791.8 Ų91.877%0.7747%0.472SS*.Hα-helixtrans-64.4-41.1177.7-66.3-176.1179.5-179.80113.1S362 A368S362-K364 PolarHBondContact O-N 3.08Å; S362-K364 VanDerWaalsContact O-N 3.1Å; K364-A368 PolarHBondContact O-N 3.5Å; K364-A368 VanDerWaalsContact O-N 3.1Å
365A83.2Confident79.9Confident40 Ų4089.9 Ų89.933%0.33147%0.471SS..Hα-helixtrans-68.9-39.3178.900000111.2S362 A368 Q369S362-A365 PolarHBondContact O-N 3.36Å; S362-A365 PolarHBondContact OG-N 3.13Å; A365-A368 PolarHBondContact O-N 3.41Å; A365-Q369 WeakPolarHBondContact O-CG 3.03Å; A365-Q369 PolarHBondContact O-N 3.43Å
366R81.4Confident80Confident71 Ų7193.9 Ų93.927%0.26849%0.487SS..Hα-helixtrans-63.8-44.3176.2-64.3177.472.4-165.74.9111.7E358 S361 S362 E363 A368 Q369 I370 I389E358-R366 IonicContact OE1-NH2 3.66Å; S361-R366 VanDerWaalsContact OG-CD 3.26Å; S361-R366 WeakPolarHBondContact OG-CD 3.43Å; S361-R366 WeakPolarHBondContact OG-CG 3.43Å; S362-R366 PolarHBondContact O-N 3.32Å; S362-R366 VanDerWaalsContact O-N 3.11Å; E363-R366 PolarHBondContact O-N 3.13Å; R366-A368 VanDerWaalsContact C-N 3.35Å; R366-A368 PolarHBondContact O-N 3.43Å; R366-Q369 PolarHBondContact O-N 3.02Å; R366-I370 WeakPolarHBondContact O-CG1 3.36Å; R366-I370 PolarHBondContact O-N 3.41Å; R366-I389 HydrophobicContact CB-CD1 3.7Å; R366-I389 HydrophobicContact CB-CG1 4.19Å; R366-I389 HydrophobicContact CB-CG2 4.06Å
367L84.4Confident80.2Confident41 Ų4198.9 Ų98.922%0.21551%0.508CS..Hα-helixtrans-61.2-42.3175.2-71171.3000112E363 I370 T371 C386 I389 L390E363-L367 VanDerWaalsContact O-CG 3.3Å; E363-L367 WeakPolarHBondContact O-CG 3.18Å; E363-L367 PolarHBondContact O-N 2.62Å; L367-I370 PolarHBondContact O-N 3.01Å; L367-T371 WeakPolarHBondContact O-CB 3.34Å; L367-T371 PolarHBondContact O-N 3.46Å; L367-T371 PolarHBondContact O-OG1 3.16Å; L367-C386 HydrophobicContact CD2-CB 3.81Å; L367-C386 WeakPolarHBondContact CD2-SG 3.36Å; L367-I389 HydrophobicContact CD2-CB 4.34Å; L367-I389 HydrophobicContact CD2-CD1 4.12Å; L367-I389 HydrophobicContact CD2-CG2 4.31Å; L367-I389 HydrophobicContact CG-CG2 4.13Å; L367-L390 HydrophobicContact CD1-CD2 4.19Å; L367-L390 HydrophobicContact CD1-CG 4.49Å
368A84.3Confident80.9Confident49 Ų4996.3 Ų96.341%0.40549%0.494SS..Hα-helixtrans-63.8-41.4177.300000112.4K364 A365 R366 T371 N372K364-A368 PolarHBondContact O-N 3.5Å; K364-A368 VanDerWaalsContact O-N 3.1Å; A365-A368 PolarHBondContact O-N 3.41Å; R366-A368 VanDerWaalsContact C-N 3.35Å; R366-A368 PolarHBondContact O-N 3.43Å; A368-T371 PolarHBondContact O-N 3Å; A368-N372 PolarHBondContact O-N 3.11Å; A368-N372 VanDerWaalsContact O-N 3.08Å; A368-N372 PolarHBondContact O-ND2 3.02Å
369Q82.8Confident81.4Confident102 Ų10296.2 Ų96.248%0.47750%0.497SS..Hα-helixtrans-63.6-42.4176.2-74.3-179.81.300112.5A365 R366 T371 N372 K373A365-Q369 WeakPolarHBondContact O-CG 3.03Å; A365-Q369 PolarHBondContact O-N 3.43Å; R366-Q369 PolarHBondContact O-N 3.02Å; Q369-T371 VanDerWaalsContact C-N 3.34Å; Q369-N372 PolarHBondContact O-N 3.32Å; Q369-K373 WeakPolarHBondContact O-CG 3.18Å; Q369-K373 PolarHBondContact O-N 3.15Å
370I84.8Confident82Confident32 Ų3298.4 Ų98.416%0.16450%0.501CS..Hα-helixtrans-67.4-38.4177.9-66.7-165.9000111R366 L367 N372 K373 C374 Y382 K385 I389R366-I370 WeakPolarHBondContact O-CG1 3.36Å; R366-I370 PolarHBondContact O-N 3.41Å; L367-I370 PolarHBondContact O-N 3.01Å; I370-N372 VanDerWaalsContact C-N 3.3Å; I370-N372 PolarHBondContact O-N 3.01Å; I370-K373 PolarHBondContact O-N 3.18Å; I370-K373 VanDerWaalsContact O-N 3.13Å; I370-C374 PolarHBondContact O-N 3.47Å; I370-C374 VanDerWaalsContact O-N 3.13Å; I370-C374 PolarHBondContact O-SG 3.08Å; I370-Y382 HydrophobicContact CG2-CD2 3.67Å; I370-Y382 HydrophobicContact CG2-CE2 3.93Å; I370-K385 HydrophobicContact CD1-CB 3.67Å; I370-K385 HydrophobicContact CD1-CG 4.41Å; I370-K385 HydrophobicContact CG2-CB 4.44Å; I370-I389 HydrophobicContact CD1-CD1 3.38Å; I370-I389 HydrophobicContact CD1-CG1 4.48Å; I370-I389 HydrophobicContact CG1-CD1 4.17Å
371T84.6Confident82.4Confident66 Ų6695.9 Ų95.941%0.40549%0.49SS..Hα-helixtrans-62-37.7176.4-53.90000112.1L367 A368 Q369 K373 Y382L367-T371 WeakPolarHBondContact O-CB 3.34Å; L367-T371 PolarHBondContact O-N 3.46Å; L367-T371 PolarHBondContact O-OG1 3.16Å; A368-T371 PolarHBondContact O-N 3Å; Q369-T371 VanDerWaalsContact C-N 3.34Å; T371-K373 VanDerWaalsContact C-N 3.32Å; T371-Y382 HydrophobicContact CG2-CE2 4.47Å; T371-Y382 WeakPolarHBondContact OG1-CE2 3.5Å; T371-Y382 PolarHBondContact OG1-OH 3.37Å
372N84.9Confident82.7Confident140 Ų14097.6 Ų97.675%0.74949%0.492SS*.Hα-helixtrans-77.1-17.3177.1-67.7-26.8000113.8A368 Q369 I370A368-N372 PolarHBondContact O-N 3.11Å; A368-N372 VanDerWaalsContact O-N 3.08Å; A368-N372 PolarHBondContact O-ND2 3.02Å; Q369-N372 PolarHBondContact O-N 3.32Å; I370-N372 VanDerWaalsContact C-N 3.3Å; I370-N372 PolarHBondContact O-N 3.01Å
373K82.6Confident82.9Confident166 Ų16695.3 Ų95.372%0.72248%0.475SS*.Hα-helixtrans-93.1-25.4-178.2-78.2178-180179.20113.6Q369 I370 T371Q369-K373 WeakPolarHBondContact O-CG 3.18Å; Q369-K373 PolarHBondContact O-N 3.15Å; I370-K373 PolarHBondContact O-N 3.18Å; I370-K373 VanDerWaalsContact O-N 3.13Å; T371-K373 VanDerWaalsContact C-N 3.32Å
374C83.5Confident83Confident26 Ų2695.5 Ų95.518%0.17647%0.471CS..  trans-96147.4-174.7-57.30000111.5I370 D378 Y382I370-C374 PolarHBondContact O-N 3.47Å; I370-C374 VanDerWaalsContact O-N 3.13Å; I370-C374 PolarHBondContact O-SG 3.08Å; C374-D378 HydrophobicContact CB-CB 4.31Å; C374-Y382 HydrophobicContact CB-CD2 4.01Å; C374-Y382 HydrophobicContact CB-CG 4.5Å
375T79.8Confident83Confident87 Ų8791 Ų9153%0.53445%0.451SS..  trans-110.4176.717364.30000110.9E377 D378T375-E377 PolarHBondContact O-N 3.44Å; T375-E377 VanDerWaalsContact O-N 3.1Å; T375-D378 PolarHBondContact O-N 3.21Å; T375-D378 PolarHBondContact OG1-OD2 3.4Å
376E75.9Confident83.1Confident177 Ų17790 Ų9083%0.82744%0.441SS*.G310 helixtrans-59.9-20-179.8-66.8-175.9175.300113.4L379E376-L379 VanDerWaalsContact O-CD1 3.25Å; E376-L379 WeakPolarHBondContact O-CD1 3.44Å; E376-L379 WeakPolarHBondContact O-CG 3.43Å
377E78.3Confident83.3Confident184 Ų18486.7 Ų86.786%0.8643%0.43SS*.G310 helixtrans-79.2-17.2178.1-60.6-176.9178.700112.9T375T375-E377 PolarHBondContact O-N 3.44Å; T375-E377 VanDerWaalsContact O-N 3.1Å
378D83.9Confident83.2Confident76 Ų7687.9 Ų87.941%0.40644%0.436SS..G310 helixtrans-106.622.1-173.3-60-54.3000113.9C374 T375 E380 F381 Y382C374-D378 HydrophobicContact CB-CB 4.31Å; T375-D378 PolarHBondContact O-N 3.21Å; T375-D378 PolarHBondContact OG1-OD2 3.4Å; D378-E380 VanDerWaalsContact C-N 3.28Å; D378-E380 PolarHBondContact O-N 3.37Å; D378-F381 PolarHBondContact O-N 3.16Å; D378-F381 VanDerWaalsContact O-N 3.11Å; D378-Y382 PolarHBondContact O-N 3.01Å
379L81.1Confident83.2Confident111 Ų11186.1 Ų86.158%0.58142%0.42SS*.Hα-helixtrans-55.4-38.7-172.2-79.2163.5000113.9E376 Y382 V383E376-L379 VanDerWaalsContact O-CD1 3.25Å; E376-L379 WeakPolarHBondContact O-CD1 3.44Å; E376-L379 WeakPolarHBondContact O-CG 3.43Å; L379-Y382 PolarHBondContact O-N 3.14Å; L379-V383 VanDerWaalsContact O-CG2 3.32Å; L379-V383 WeakPolarHBondContact O-CG2 3.45Å; L379-V383 PolarHBondContact O-N 3.17Å; L379-V383 VanDerWaalsContact O-N 3.08Å
380E82.5Confident83.2Confident132 Ų13285.4 Ų85.462%0.61742%0.419SS*.Hα-helixtrans-68-42179.7-174.2171.2-178.700112D378 R384 A403D378-E380 VanDerWaalsContact C-N 3.28Å; D378-E380 PolarHBondContact O-N 3.37Å; E380-R384 PolarHBondContact O-N 3.03Å; E380-R384 VanDerWaalsContact O-N 3.15Å; E380-A403 HydrophobicContact CG-CB 4.03Å
381F83.8Confident83Confident115 Ų11585.2 Ų85.250%0.50443%0.425SS..Hα-helixtrans-65.5-41.9175.9177.5-98000111.3D378 R384 K385D378-F381 PolarHBondContact O-N 3.16Å; D378-F381 VanDerWaalsContact O-N 3.11Å; F381-R384 PolarHBondContact O-N 3Å; F381-K385 HydrophobicContact CD1-CG 4.36Å; F381-K385 HydrophobicContact CD2-CG 4.36Å; F381-K385 HydrophobicContact CE1-CG 3.94Å; F381-K385 HydrophobicContact CE2-CD 4.44Å; F381-K385 HydrophobicContact CE2-CG 3.95Å; F381-K385 HydrophobicContact CZ-CD 4.32Å; F381-K385 HydrophobicContact CZ-CG 3.73Å; F381-K385 WeakPolarHBondContact O-CB 3.44Å; F381-K385 WeakPolarHBondContact O-CG 3.37Å; F381-K385 PolarHBondContact O-N 3.48Å
382Y86.3Confident82.8Confident68 Ų6882.7 Ų82.727%0.26741%0.409SS..Hα-helixtrans-56.7-52176.5178.6-104.1000111.7I370 T371 C374 D378 L379 R384 K385 C386I370-Y382 HydrophobicContact CG2-CD2 3.67Å; I370-Y382 HydrophobicContact CG2-CE2 3.93Å; T371-Y382 HydrophobicContact CG2-CE2 4.47Å; T371-Y382 WeakPolarHBondContact OG1-CE2 3.5Å; T371-Y382 PolarHBondContact OG1-OH 3.37Å; C374-Y382 HydrophobicContact CB-CD2 4.01Å; C374-Y382 HydrophobicContact CB-CG 4.5Å; D378-Y382 PolarHBondContact O-N 3.01Å; L379-Y382 PolarHBondContact O-N 3.14Å; Y382-R384 PolarHBondContact O-N 2.77Å; Y382-K385 PolarHBondContact O-N 2.93Å; Y382-C386 WeakPolarHBondContact O-CB 3.46Å; Y382-C386 PolarHBondContact O-N 2.95Å; Y382-C386 PolarHBondContact O-SG 3.36Å
383V86.3Confident82.4Confident26 Ų2676.6 Ų76.616%0.15838%0.377CS..Hα-helixtrans-64.5-40.5-177.9173.90000111.7L379 C386 G387 A403 I406 L407L379-V383 VanDerWaalsContact O-CG2 3.32Å; L379-V383 WeakPolarHBondContact O-CG2 3.45Å; L379-V383 PolarHBondContact O-N 3.17Å; L379-V383 VanDerWaalsContact O-N 3.08Å; V383-C386 PolarHBondContact O-N 3.1Å; V383-G387 PolarHBondContact O-N 3.11Å; V383-A403 HydrophobicContact CB-CB 3.77Å; V383-A403 HydrophobicContact CG1-CB 3.67Å; V383-A403 WeakPolarHBondContact CG1-O 3.35Å; V383-I406 HydrophobicContact CG1-CB 4.43Å; V383-I406 HydrophobicContact CG1-CG2 4.41Å; V383-L407 HydrophobicContact CG1-CD1 4.14Å; V383-L407 HydrophobicContact CG1-CD2 4.3Å; V383-L407 HydrophobicContact CG1-CG 3.81Å; V383-L407 HydrophobicContact CG2-CD1 4.37Å
384R85Confident82Confident119 Ų11973.6 Ų73.645%0.44938%0.377SS..Hα-helixtrans-64.6-45.5178.7-171.6175.4177169.83.9112.2E380 F381 Y382 C386 G387 D388 I406E380-R384 PolarHBondContact O-N 3.03Å; E380-R384 VanDerWaalsContact O-N 3.15Å; F381-R384 PolarHBondContact O-N 3Å; Y382-R384 PolarHBondContact O-N 2.77Å; R384-C386 PolarHBondContact O-N 3.05Å; R384-G387 PolarHBondContact O-N 3.48Å; R384-G387 VanDerWaalsContact O-N 3.16Å; R384-D388 PolarHBondContact O-N 3.04Å; R384-I406 HydrophobicContact CB-CD1 4.41Å; R384-I406 HydrophobicContact CG-CD1 4.32Å
385K84.2Confident81.6Confident84 Ų8479.2 Ų79.237%0.36540%0.399SS..Hα-helixtrans-67.8-34.7178.4-72.8-64-175.5-174.50113.1I370 F381 Y382 G387 D388 I389I370-K385 HydrophobicContact CD1-CB 3.67Å; I370-K385 HydrophobicContact CD1-CG 4.41Å; I370-K385 HydrophobicContact CG2-CB 4.44Å; F381-K385 HydrophobicContact CD1-CG 4.36Å; F381-K385 HydrophobicContact CD2-CG 4.36Å; F381-K385 HydrophobicContact CE1-CG 3.94Å; F381-K385 HydrophobicContact CE2-CD 4.44Å; F381-K385 HydrophobicContact CE2-CG 3.95Å; F381-K385 HydrophobicContact CZ-CD 4.32Å; F381-K385 HydrophobicContact CZ-CG 3.73Å; F381-K385 WeakPolarHBondContact O-CB 3.44Å; F381-K385 WeakPolarHBondContact O-CG 3.37Å; F381-K385 PolarHBondContact O-N 3.48Å; Y382-K385 PolarHBondContact O-N 2.93Å; K385-G387 VanDerWaalsContact C-N 3.32Å; K385-D388 PolarHBondContact O-N 3.23Å; K385-I389 WeakPolarHBondContact O-CG1 3.32Å; K385-I389 PolarHBondContact O-N 2.71Å
386C85.3Confident81.5Confident18 Ų1876.4 Ų76.412%0.12238%0.38CS..Hα-helixtrans-63.4-39.5170.8-70.60000111.7L367 Y382 V383 R384 D388 I389 L390L367-C386 HydrophobicContact CD2-CB 3.81Å; L367-C386 WeakPolarHBondContact CD2-SG 3.36Å; Y382-C386 WeakPolarHBondContact O-CB 3.46Å; Y382-C386 PolarHBondContact O-N 2.95Å; Y382-C386 PolarHBondContact O-SG 3.36Å; V383-C386 PolarHBondContact O-N 3.1Å; R384-C386 PolarHBondContact O-N 3.05Å; C386-D388 VanDerWaalsContact C-N 3.35Å; C386-I389 PolarHBondContact O-N 3.46Å; C386-L390 WeakPolarHBondContact O-CB 3.44Å; C386-L390 WeakPolarHBondContact O-CG 3.38Å; C386-L390 PolarHBondContact O-N 3.34Å; C386-L390 VanDerWaalsContact O-N 3.08Å
387G84.8Confident81.6Confident2 Ų271.6 Ų71.62%0.02136%0.364CS..Hα-helixtrans-62.1-38.4173.200000113.6V383 R384 K385 G391 V392 T393V383-G387 PolarHBondContact O-N 3.11Å; R384-G387 PolarHBondContact O-N 3.48Å; R384-G387 VanDerWaalsContact O-N 3.16Å; K385-G387 VanDerWaalsContact C-N 3.32Å; G387-G391 PolarHBondContact O-N 2.93Å; G387-G391 VanDerWaalsContact O-N 3.16Å; G387-V392 PolarHBondContact O-N 3.31Å; G387-T393 VanDerWaalsContact C-OG1 3.27Å; G387-T393 PolarHBondContact O-N 3.01Å; G387-T393 PolarHBondContact O-OG1 3.05Å
388D83.2Confident81.2Confident65 Ų6571.8 Ų71.835%0.34836%0.362SS..Hα-helixtrans-67.5-44.7175.9-68.5-18.8000111.9R384 K385 C386 L390 G391 T393R384-D388 PolarHBondContact O-N 3.04Å; K385-D388 PolarHBondContact O-N 3.23Å; C386-D388 VanDerWaalsContact C-N 3.35Å; D388-L390 VanDerWaalsContact C-N 3.31Å; D388-L390 PolarHBondContact O-N 2.95Å; D388-G391 PolarHBondContact O-N 3.38Å; D388-G391 VanDerWaalsContact O-N 3.13Å; D388-T393 PolarHBondContact N-OG1 2.81Å; D388-T393 WeakPolarHBondContact OD1-CB 3.5Å; D388-T393 WeakPolarHBondContact OD1-CG2 3.3Å; D388-T393 PolarHBondContact OD1-OG1 3.39Å
389I84.2Confident80.5Confident12 Ų1275.6 Ų75.66%0.06238%0.382CS..Hα-helixtrans-61.9-40.2178.1-69.1165.1000111.2E363 R366 L367 I370 K385 C386 G391E363-I389 HydrophobicContact CB-CG2 4.12Å; E363-I389 HydrophobicContact CG-CG2 4.42Å; R366-I389 HydrophobicContact CB-CD1 3.7Å; R366-I389 HydrophobicContact CB-CG1 4.19Å; R366-I389 HydrophobicContact CB-CG2 4.06Å; L367-I389 HydrophobicContact CD2-CB 4.34Å; L367-I389 HydrophobicContact CD2-CD1 4.12Å; L367-I389 HydrophobicContact CD2-CG2 4.31Å; L367-I389 HydrophobicContact CG-CG2 4.13Å; I370-I389 HydrophobicContact CD1-CD1 3.38Å; I370-I389 HydrophobicContact CD1-CG1 4.48Å; I370-I389 HydrophobicContact CG1-CD1 4.17Å; K385-I389 WeakPolarHBondContact O-CG1 3.32Å; K385-I389 PolarHBondContact O-N 2.71Å; C386-I389 PolarHBondContact O-N 3.46Å; I389-G391 PolarHBondContact O-N 3.1Å
390L82.5Confident79.9Confident87 Ų8774.8 Ų74.846%0.45538%0.376SS..THydrogen-bonded Turntrans-81.70.1179.4-66.7170.3000113.2L367 C386 D388 V392L367-L390 HydrophobicContact CD1-CD2 4.19Å; L367-L390 HydrophobicContact CD1-CG 4.49Å; C386-L390 WeakPolarHBondContact O-CB 3.44Å; C386-L390 WeakPolarHBondContact O-CG 3.38Å; C386-L390 PolarHBondContact O-N 3.34Å; C386-L390 VanDerWaalsContact O-N 3.08Å; D388-L390 VanDerWaalsContact C-N 3.31Å; D388-L390 PolarHBondContact O-N 2.95Å; L390-V392 HydrophobicContact CB-CG2 4Å; L390-V392 PolarHBondContact O-N 3.05Å
391G81.1Confident79.5Confident29 Ų2970.7 Ų70.730%0.29936%0.357SS..THydrogen-bonded Turntrans6813.6179.900000114.8G387 D388 I389 S394G387-G391 PolarHBondContact O-N 2.93Å; G387-G391 VanDerWaalsContact O-N 3.16Å; D388-G391 PolarHBondContact O-N 3.38Å; D388-G391 VanDerWaalsContact O-N 3.13Å; I389-G391 PolarHBondContact O-N 3.1Å; G391-S394 PolarHBondContact O-OG 3.31Å
392V80Confident79.4Confident12 Ų1269.2 Ų69.27%0.07335%0.354CS..  trans-71-35-178.4177.10000111G387 L390 S394 K395 L396 I406 H409G387-V392 PolarHBondContact O-N 3.31Å; L390-V392 HydrophobicContact CB-CG2 4Å; L390-V392 PolarHBondContact O-N 3.05Å; V392-S394 PolarHBondContact O-N 3.12Å; V392-K395 WeakPolarHBondContact O-CB 3.25Å; V392-K395 PolarHBondContact O-N 3.33Å; V392-L396 HydrophobicContact CG1-CD1 4.24Å; V392-I406 HydrophobicContact CG1-CG2 4.39Å; V392-H409 HydrophobicContact CG1-CB 4.33Å
393T75.8Confident79.1Confident12 Ų1266.7 Ų66.77%0.07435%0.347CS..G310 helixtrans-59.7-29.8179.5-45.20000112.9G387 D388 K395 L396 Q401G387-T393 VanDerWaalsContact C-OG1 3.27Å; G387-T393 PolarHBondContact O-N 3.01Å; G387-T393 PolarHBondContact O-OG1 3.05Å; D388-T393 PolarHBondContact N-OG1 2.81Å; D388-T393 WeakPolarHBondContact OD1-CB 3.5Å; D388-T393 WeakPolarHBondContact OD1-CG2 3.3Å; D388-T393 PolarHBondContact OD1-OG1 3.39Å; T393-K395 PolarHBondContact O-N 3.48Å; T393-L396 PolarHBondContact O-N 3Å; T393-Q401 HydrophobicContact CG2-CB 4.38Å; T393-Q401 VanDerWaalsContact CG2-CD 3.44Å; T393-Q401 HydrophobicContact CG2-CG 4.01Å; T393-Q401 PolarHBondContact O-NE2 3.1Å
394S75.4Confident79Confident103 Ų10373.8 Ų73.872%0.7238%0.376SS*.G310 helixtrans-71-16.2177.671.10000114.1G391 V392G391-S394 PolarHBondContact O-OG 3.31Å; V392-S394 PolarHBondContact O-N 3.12Å
395K75.4Confident78.9Confident145 Ų14570.6 Ų70.663%0.6337%0.366SS*.G310 helixtrans-98.9-6-178.8-60.3179.7-178.6175.10113V392 T393V392-K395 WeakPolarHBondContact O-CB 3.25Å; V392-K395 PolarHBondContact O-N 3.33Å; T393-K395 PolarHBondContact O-N 3.48Å
396L76.9Confident78.9Confident27 Ų2766.9 Ų66.914%0.14135%0.35CS..SBendtrans-103.1144.7-179-69.2166.1000111V392 T393 I406 H409V392-L396 HydrophobicContact CG1-CD1 4.24Å; T393-L396 PolarHBondContact O-N 3Å; L396-I406 HydrophobicContact CD1-CG1 3.88Å; L396-H409 HydrophobicContact CD2-CB 4.4Å
397P76.9Confident78.8Confident77 Ų7769.5 Ų69.550%0.536%0.363SS..  trans-56.9145.9173.3-21.332000111.9D399 Q400P397-D399 PolarHBondContact O-N 3.5Å; P397-Q400 PolarHBondContact O-N 3.24Å
398K70Confident78.8Confident187 Ų18775.6 Ų75.681%0.81339%0.39SS*.THydrogen-bonded Turntrans-57.7-25.6-174.8-71.1-176.8177.4179.70114.2
399D70.3Confident78.8Confident156 Ų15674.8 Ų74.883%0.83438%0.384SS*.THydrogen-bonded Turntrans-90.60.2-178.2-57.2-35.2000113.6P397P397-D399 PolarHBondContact O-N 3.5Å
400Q68.8Low78.8Confident94 Ų9476.7 Ų76.744%0.43940%0.396SS..  trans-134.549.1-175.9-65.9179.92.600112.1P397 H405P397-Q400 PolarHBondContact O-N 3.24Å; Q400-H405 WeakPolarHBondContact O-CB 3.42Å
401Q73.6Confident78.9Confident47 Ų4778.9 Ų78.922%0.2240%0.402CS..  trans-10119.8179.6-63.8-173-13.800113.7T393T393-Q401 HydrophobicContact CG2-CB 4.38Å; T393-Q401 VanDerWaalsContact CG2-CD 3.44Å; T393-Q401 HydrophobicContact CG2-CG 4.01Å; T393-Q401 PolarHBondContact O-NE2 3.1Å
402D81Confident79.1Confident84 Ų8483.4 Ų83.445%0.44941%0.414SS..SBendtrans-72.7155.3177.1-61.3-22.8000111.4K404 H405 I406D402-K404 PolarHBondContact O-N 3.12Å; D402-H405 PolarHBondContact O-N 3.03Å; D402-I406 PolarHBondContact O-N 3.36Å
403A80.6Confident79.2Confident14 Ų1487 Ų8712%0.11643%0.43CS..Hα-helixtrans-50.9-33.4-178.700000113.8E380 V383 L407E380-A403 HydrophobicContact CG-CB 4.03Å; V383-A403 HydrophobicContact CB-CB 3.77Å; V383-A403 HydrophobicContact CG1-CB 3.67Å; V383-A403 WeakPolarHBondContact CG1-O 3.35Å; A403-L407 WeakPolarHBondContact O-CG 3.4Å; A403-L407 PolarHBondContact O-N 2.88Å; A403-L407 VanDerWaalsContact O-N 3.14Å
404K83.7Confident79.6Confident175 Ų17590 Ų9076%0.76145%0.448SS*.Hα-helixtrans-65.5-43.2178.2-64.7-178-177.4175.50112.8D402 L407 E408D402-K404 PolarHBondContact O-N 3.12Å; K404-L407 PolarHBondContact O-N 2.91Å; K404-E408 WeakPolarHBondContact O-CB 2.98Å; K404-E408 PolarHBondContact O-N 3.36Å
405H82.6Confident80.1Confident53 Ų5388.7 Ų88.725%0.24544%0.436CS..Hα-helixtrans-72.4-34.2-178.3-61.598000111.7Q400 D402 E408 H409Q400-H405 WeakPolarHBondContact O-CB 3.42Å; D402-H405 PolarHBondContact O-N 3.03Å; H405-E408 PolarHBondContact O-N 3.27Å; H405-H409 WeakPolarHBondContact O-CB 3.41Å; H405-H409 PolarHBondContact O-N 3.4Å
406I83.9Confident80.4Confident6 Ų686.7 Ų86.73%0.03143%0.428CS..Hα-helixtrans-63.6-46.7173.7-63.7171.5000110.1V383 R384 V392 L396 D402 H409 V410V383-I406 HydrophobicContact CG1-CB 4.43Å; V383-I406 HydrophobicContact CG1-CG2 4.41Å; R384-I406 HydrophobicContact CB-CD1 4.41Å; R384-I406 HydrophobicContact CG-CD1 4.32Å; V392-I406 HydrophobicContact CG1-CG2 4.39Å; L396-I406 HydrophobicContact CD1-CG1 3.88Å; D402-I406 PolarHBondContact O-N 3.36Å; I406-H409 PolarHBondContact O-N 2.88Å; I406-V410 WeakPolarHBondContact O-CG2 3.26Å; I406-V410 PolarHBondContact O-N 3.12Å; I406-V410 VanDerWaalsContact O-N 3.13Å
407L84.6Confident80.5Confident73 Ų7391.9 Ų91.938%0.38245%0.45SS..Hα-helixtrans-65.7-41.9177-73.8171.9000112.3V383 A403 K404 H409 V410 F411V383-L407 HydrophobicContact CG1-CD1 4.14Å; V383-L407 HydrophobicContact CG1-CD2 4.3Å; V383-L407 HydrophobicContact CG1-CG 3.81Å; V383-L407 HydrophobicContact CG2-CD1 4.37Å; A403-L407 WeakPolarHBondContact O-CG 3.4Å; A403-L407 PolarHBondContact O-N 2.88Å; A403-L407 VanDerWaalsContact O-N 3.14Å; K404-L407 PolarHBondContact O-N 2.91Å; L407-H409 VanDerWaalsContact C-N 3.32Å; L407-H409 PolarHBondContact O-N 3.32Å; L407-V410 PolarHBondContact O-N 2.6Å; L407-F411 HydrophobicContact CB-CD2 4.17Å; L407-F411 HydrophobicContact CB-CE2 4Å; L407-F411 HydrophobicContact CD2-CE2 4.31Å; L407-F411 WeakPolarHBondContact O-CB 3.44Å; L407-F411 WeakPolarHBondContact O-CD2 3.31Å; L407-F411 WeakPolarHBondContact O-CG 3.28Å; L407-F411 PolarHBondContact O-N 3.08Å
408E83.9Confident80.5Confident129 Ų12995.1 Ų95.160%0.60346%0.457SS*.Hα-helixtrans-56.5-46.4175.5-178.1177.2-16200111.5K404 H405 V410 F411 F412K404-E408 WeakPolarHBondContact O-CB 2.98Å; K404-E408 PolarHBondContact O-N 3.36Å; H405-E408 PolarHBondContact O-N 3.27Å; E408-V410 PolarHBondContact O-N 3.15Å; E408-F411 PolarHBondContact O-N 3.32Å; E408-F412 WeakPolarHBondContact O-CB 3.41Å; E408-F412 PolarHBondContact O-N 3.12Å
409H83.3Confident80.8Confident49 Ų4992.9 Ų92.923%0.22745%0.447CS..Hα-helixtrans-62-42.9177.7-171.178.5000112.5V392 L396 H405 I406 L407 F412 Q413V392-H409 HydrophobicContact CG1-CB 4.33Å; L396-H409 HydrophobicContact CD2-CB 4.4Å; H405-H409 WeakPolarHBondContact O-CB 3.41Å; H405-H409 PolarHBondContact O-N 3.4Å; I406-H409 PolarHBondContact O-N 2.88Å; L407-H409 VanDerWaalsContact C-N 3.32Å; L407-H409 PolarHBondContact O-N 3.32Å; H409-F412 PolarHBondContact O-N 3Å; H409-Q413 PolarHBondContact NE2-NE2 3.04Å; H409-Q413 WeakPolarHBondContact O-CG 3.21Å; H409-Q413 PolarHBondContact O-N 3.05Å; H409-Q413 VanDerWaalsContact O-N 3.12Å
410V84.1Confident80.4Confident51 Ų5191.8 Ų91.831%0.30944%0.44SS..Hα-helixtrans-66.6-44.7177.5173.60000110.9I406 L407 E408 F412 Q413 V414I406-V410 WeakPolarHBondContact O-CG2 3.26Å; I406-V410 PolarHBondContact O-N 3.12Å; I406-V410 VanDerWaalsContact O-N 3.13Å; L407-V410 PolarHBondContact O-N 2.6Å; E408-V410 PolarHBondContact O-N 3.15Å; V410-F412 VanDerWaalsContact C-N 3.33Å; V410-F412 PolarHBondContact O-N 3.35Å; V410-Q413 PolarHBondContact O-N 3.13Å; V410-V414 WeakPolarHBondContact O-CG2 3.25Å; V410-V414 PolarHBondContact O-N 3.21Å
411F85.9Confident80Confident133 Ų13391.1 Ų91.158%0.58344%0.439SS*.Hα-helixtrans-64.4-38.2177.6-74.6-53.7000112.1L407 E408 Q413 V414 V415L407-F411 HydrophobicContact CB-CD2 4.17Å; L407-F411 HydrophobicContact CB-CE2 4Å; L407-F411 HydrophobicContact CD2-CE2 4.31Å; L407-F411 WeakPolarHBondContact O-CB 3.44Å; L407-F411 WeakPolarHBondContact O-CD2 3.31Å; L407-F411 WeakPolarHBondContact O-CG 3.28Å; L407-F411 PolarHBondContact O-N 3.08Å; E408-F411 PolarHBondContact O-N 3.32Å; F411-Q413 PolarHBondContact O-N 3.13Å; F411-V414 PolarHBondContact O-N 3.4Å; F411-V415 WeakPolarHBondContact O-CB 3.37Å; F411-V415 VanDerWaalsContact O-CG2 3.28Å; F411-V415 WeakPolarHBondContact O-CG2 3.46Å; F411-V415 PolarHBondContact O-N 3.08Å
412F85.1Confident79.1Confident124 Ų12495.8 Ų95.854%0.54446%0.461SS..Hα-helixtrans-59.8-46.4174.3-170.2-92.8000111.4E408 H409 V410 V414 V415 E416E408-F412 WeakPolarHBondContact O-CB 3.41Å; E408-F412 PolarHBondContact O-N 3.12Å; H409-F412 PolarHBondContact O-N 3Å; V410-F412 VanDerWaalsContact C-N 3.33Å; V410-F412 PolarHBondContact O-N 3.35Å; F412-V414 PolarHBondContact O-N 3.4Å; F412-V415 PolarHBondContact O-N 3.27Å; F412-E416 HydrophobicContact CD1-CG 4.18Å; F412-E416 VanDerWaalsContact CE1-CD 3.43Å; F412-E416 HydrophobicContact CE1-CG 3.81Å; F412-E416 WeakPolarHBondContact CE1-OE1 3.49Å; F412-E416 HydrophobicContact CZ-CG 4.3Å; F412-E416 PolarHBondContact O-N 3.45Å
413Q81.4Confident77.6Confident89 Ų89100.1 Ų100.142%0.41648%0.479SS..Hα-helixtrans-63.5-38.8176-73.6-1740.500113H409 V410 F411 V415 E416 F417H409-Q413 PolarHBondContact NE2-NE2 3.04Å; H409-Q413 WeakPolarHBondContact O-CG 3.21Å; H409-Q413 PolarHBondContact O-N 3.05Å; H409-Q413 VanDerWaalsContact O-N 3.12Å; V410-Q413 PolarHBondContact O-N 3.13Å; F411-Q413 PolarHBondContact O-N 3.13Å; Q413-V415 VanDerWaalsContact C-N 3.33Å; Q413-E416 PolarHBondContact O-N 3.22Å; Q413-F417 VanDerWaalsContact O-CB 3.28Å; Q413-F417 WeakPolarHBondContact O-CB 3.34Å; Q413-F417 PolarHBondContact O-N 3.45Å
414V83.6Confident76Confident73 Ų73106.9 Ų106.944%0.44251%0.508SS..Hα-helixtrans-65.3-38.4175.71720000111.2V410 F411 F412 K418V410-V414 WeakPolarHBondContact O-CG2 3.25Å; V410-V414 PolarHBondContact O-N 3.21Å; F411-V414 PolarHBondContact O-N 3.4Å; F412-V414 PolarHBondContact O-N 3.4Å; V414-K418 WeakPolarHBondContact O-CB 2.96Å; V414-K418 PolarHBondContact O-N 3.24Å
415V87.2Confident74.2Confident76 Ų76105.6 Ų105.646%0.46151%0.509SS..Hα-helixtrans-67.3-44.7176169.70000111F411 F412 Q413 K418 K419F411-V415 WeakPolarHBondContact O-CB 3.37Å; F411-V415 VanDerWaalsContact O-CG2 3.28Å; F411-V415 WeakPolarHBondContact O-CG2 3.46Å; F411-V415 PolarHBondContact O-N 3.08Å; F412-V415 PolarHBondContact O-N 3.27Å; Q413-V415 VanDerWaalsContact C-N 3.33Å; V415-K418 PolarHBondContact O-N 3.21Å; V415-K419 HydrophobicContact CG1-CD 4.38Å; V415-K419 WeakPolarHBondContact O-CG 3.33Å; V415-K419 PolarHBondContact O-N 3.22Å
416E80.6Confident72.4Confident103 Ų103109.9 Ų109.948%0.48153%0.532SS..Hα-helixtrans-61.2-44.1174-76.4-161144.400112.1F412 Q413 K418 K419 L420F412-E416 HydrophobicContact CD1-CG 4.18Å; F412-E416 VanDerWaalsContact CE1-CD 3.43Å; F412-E416 HydrophobicContact CE1-CG 3.81Å; F412-E416 WeakPolarHBondContact CE1-OE1 3.49Å; F412-E416 HydrophobicContact CZ-CG 4.3Å; F412-E416 PolarHBondContact O-N 3.45Å; Q413-E416 PolarHBondContact O-N 3.22Å; E416-K418 VanDerWaalsContact C-N 3.34Å; E416-K418 PolarHBondContact O-N 3.09Å; E416-K419 PolarHBondContact O-N 3.13Å; E416-L420 PolarHBondContact O-N 3.32Å
417F78.8Confident70.6Confident136 Ų136116.4 Ų116.460%0.59657%0.568SS**Hα-helixtrans-60.4-42.2176.5-176.9-99.1000112Q413 L420 N421Q413-F417 VanDerWaalsContact O-CB 3.28Å; Q413-F417 WeakPolarHBondContact O-CB 3.34Å; Q413-F417 PolarHBondContact O-N 3.45Å; F417-L420 PolarHBondContact O-N 3.24Å; F417-N421 WeakPolarHBondContact CE1-ND2 2.94Å; F417-N421 PolarHBondContact O-N 3.11Å
418K77.8Confident68.2Low146 Ų146119.4 Ų119.464%0.63559%0.589SS**Hα-helixtrans-68.1-32.9175.2-88.2-166.5171.7-1730113.6V414 V415 E416 N421 Q422V414-K418 WeakPolarHBondContact O-CB 2.96Å; V414-K418 PolarHBondContact O-N 3.24Å; V415-K418 PolarHBondContact O-N 3.21Å; E416-K418 VanDerWaalsContact C-N 3.34Å; E416-K418 PolarHBondContact O-N 3.09Å; K418-N421 PolarHBondContact O-N 3.31Å; K418-Q422 PolarHBondContact O-N 2.82Å
419K76.7Confident65.8Low140 Ų140117.8 Ų117.861%0.60959%0.592SS**Hα-helixtrans-66-38.9173.9-75.8176.3179.5179.80111.5V415 E416 N421 Q422V415-K419 HydrophobicContact CG1-CD 4.38Å; V415-K419 WeakPolarHBondContact O-CG 3.33Å; V415-K419 PolarHBondContact O-N 3.22Å; E416-K419 PolarHBondContact O-N 3.13Å; K419-N421 VanDerWaalsContact C-N 3.33Å; K419-N421 PolarHBondContact O-N 3.15Å; K419-Q422 PolarHBondContact O-N 3.16Å
420L61.5Low63.7Low132 Ų132125 Ų12569%0.69163%0.625SS**Hα-helixtrans-63.3-36.5177.1-125.192.9000112.8E416 F417 Q422E416-L420 PolarHBondContact O-N 3.32Å; F417-L420 PolarHBondContact O-N 3.24Å; L420-Q422 VanDerWaalsContact C-N 3.33Å; L420-Q422 PolarHBondContact O-N 3.23Å
421N59.8Low61.3Low80 Ų80128.5 Ų128.543%0.42865%0.647SS.*Hα-helixtrans-79.5-9.9-179.2-73.6-13.5000114.2F417 K418 K419 E423F417-N421 WeakPolarHBondContact CE1-ND2 2.94Å; F417-N421 PolarHBondContact O-N 3.11Å; K418-N421 PolarHBondContact O-N 3.31Å; K419-N421 VanDerWaalsContact C-N 3.33Å; K419-N421 PolarHBondContact O-N 3.15Å; N421-E423 VanDerWaalsContact C-N 3.31Å; N421-E423 PolarHBondContact O-N 3.43Å
422Q55.8Low58.8Low145 Ų145126.4 Ų126.468%0.67866%0.655SS**THydrogen-bonded Turntrans-74.6-18.4176.5-79.7-179.2-9.300113.5K418 K419 L420K418-Q422 PolarHBondContact O-N 2.82Å; K419-Q422 PolarHBondContact O-N 3.16Å; L420-Q422 VanDerWaalsContact C-N 3.33Å; L420-Q422 PolarHBondContact O-N 3.23Å
423E48.7Very low56.2Low175 Ų175130.3 Ų130.382%0.81867%0.672SS**THydrogen-bonded Turntrans-84.1-9.7176.8-70.8-171.6163.400113.7N421N421-E423 VanDerWaalsContact C-N 3.31Å; N421-E423 PolarHBondContact O-N 3.43Å
424H47.8Very low53.9Low156 Ų156134.1 Ų134.172%0.72269%0.69SS**SBendtrans-102.1-9.1-178-88.254.5000115.2
425D45.8Very low51.5Low148 Ų148137.8 Ų137.879%0.79171%0.707SS**SBendtrans-94.911.9-175.6-89.1-23.5000114.7
426I45.2Very low48.8Very low143 Ų143141.1 Ų141.173%0.73372%0.722SS**SBendtrans-101.6-17-178.7-64.5179.9000114.5
427D44.2Very low46.7Very low144 Ų144149.3 Ų149.377%0.7776%0.757SS**SBendtrans-139.384.9-179.7-87.5-40.5000111.9
428T34.7Very low45.1Very low135 Ų135150 Ų15083%0.82877%0.765SS**  trans-171.7119.7136.113.50000113.8
429S33.4Very low43.4Very low95 Ų95150.2 Ų150.266%0.66477%0.771SS**  trans70.493.9146.853.10000119.8T431S429-T431 PolarHBondContact O-N 3.22Å
430E40.1Very low41.6Very low200 Ų200150.8 Ų150.894%0.93578%0.78SS**  -41.9107.8116.5-72.4-178.2147.400110.2
431T32.3Very low40.4Very low125 Ų125151.9 Ų151.977%0.76779%0.786SS**  trans-156.7116.5142.6310000109S429S429-T431 PolarHBondContact O-N 3.22Å
432A34.5Very low39.2Very low89 Ų89156.4 Ų156.474%0.73681%0.808SS**  trans-51.7142.3170.800000112
433F30.9Very low38.1Very low206 Ų206157.1 Ų157.190%0.90482%0.817SS**  trans-154.4142.5132-103.9-73.4000111.5
434Q33Very low37.3Very low170 Ų170155.9 Ų155.979%0.79482%0.817SS**  trans-72.3149.8-163-70.8154.7-33.400114.7
435N32.9Very low36.5Very low150 Ų150155.8 Ų155.880%0.80282%0.824SS**  trans-5.8130.9141.2-67.3-17.6000116.3
436N31Very low35.7Very low146 Ų146156.5 Ų156.578%0.78183%0.827SS**  trans-159.6121.6130.1-97.9-25.7000111.4
437F36.5Very low34.9Very low275 Ų275157.7 Ų157.7100%1.20684%0.835SS**  trans73.20169.7-65.2-76.9000119.7

Retrieved 437 of 437 residues in 132 ms (Link to these results)

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