A0A077ZCP2_TRITR Loading...

Unc 112 related protein

AlphaFold DB , UniProt , Accession A0A077ZCP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 737 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
1M31.3Very low59.6Low240 Ų24093 Ų93100%1.18263%0.626SS**  0105.10-72.5-168.4-111.200107.8
2A37Very low62.4Low100 Ų10086.9 Ų86.983%0.82658%0.58SS**  trans-103.587-175.500000108.9
3N43.7Very low64.9Low151 Ų15184.3 Ų84.381%0.80756%0.56SS**  trans-125.339.9-174.7-71.712.3000112.9A5N3-A5 PolarHBondContact O-N 3.01Å
4G52.1Low67.1Low43 Ų4378.3 Ų78.344%0.44352%0.52SS..  trans-80.994.7155.900000107.3V6G4-V6 PolarHBondContact O-N 3.2Å
5A53.8Low69.1Low74 Ų7475 Ų7561%0.61250%0.497SS*.  trans-60.598.2-176.100000110.6N3 V7N3-A5 PolarHBondContact O-N 3.01Å; A5-V7 PolarHBondContact O-N 3.01Å
6V54.7Low70.8Confident99 Ų9970.3 Ų70.360%0.647%0.466SS*.  trans-61.5114.5163.8-178.50000105.6G4 W12G4-V6 PolarHBondContact O-N 3.2Å; V6-W12 HydrophobicContact CG2-CB 4.38Å
7V58.1Low72.4Confident67 Ų6769.7 Ų69.741%0.40645%0.453SS..  trans-84153.6174.8169.10000107.7A5 D9 G10 T11A5-V7 PolarHBondContact O-N 3.01Å; V7-D9 PolarHBondContact O-N 3.15Å; V7-G10 PolarHBondContact O-N 3.28Å; V7-T11 PolarHBondContact N-O 2.7Å
8G68.3Low73.8Confident91 Ų9165.8 Ų65.894%0.93843%0.428SS*.THydrogen-bonded Turntrans-58.1-2-17200000116.3
9D81.5Confident74.8Confident98 Ų9863.9 Ų63.952%0.52442%0.416SS..THydrogen-bonded Turntrans-88.60.7172.366.6-7.6000113.8V7 T11V7-D9 PolarHBondContact O-N 3.15Å; D9-T11 VanDerWaalsContact C-N 3.28Å; D9-T11 VanDerWaalsContact CG-OG1 3.26Å; D9-T11 PolarHBondContact O-N 2.85Å; D9-T11 WeakPolarHBondContact OD1-CB 3.45Å; D9-T11 PolarHBondContact OD1-N 2.66Å; D9-T11 PolarHBondContact OD1-OG1 3.08Å; D9-T11 WeakPolarHBondContact OD2-CG2 3.4Å; D9-T11 PolarHBondContact OD2-OG1 3.29Å; D9-T11 VanDerWaalsContact OD2-OG1 3.12Å
10G83.5Confident75.5Confident43 Ų4363.9 Ų63.944%0.44341%0.412SS..SBendtrans79.56.5-177.700000114.1V7V7-G10 PolarHBondContact O-N 3.28Å
11T91.1Very high76.3Confident17 Ų1763.3 Ų63.310%0.10441%0.406CS..  trans-87.8149.7175.970.20000112V7 D9 R28 V29 R30V7-T11 PolarHBondContact N-O 2.7Å; D9-T11 VanDerWaalsContact C-N 3.28Å; D9-T11 VanDerWaalsContact CG-OG1 3.26Å; D9-T11 PolarHBondContact O-N 2.85Å; D9-T11 WeakPolarHBondContact OD1-CB 3.45Å; D9-T11 PolarHBondContact OD1-N 2.66Å; D9-T11 PolarHBondContact OD1-OG1 3.08Å; D9-T11 WeakPolarHBondContact OD2-CG2 3.4Å; D9-T11 PolarHBondContact OD2-OG1 3.29Å; D9-T11 VanDerWaalsContact OD2-OG1 3.12Å; T11-R28 PolarHBondContact OG1-NE 3.36Å; T11-V29 VanDerWaalsContact CA-O 3.28Å; T11-V29 WeakPolarHBondContact CA-O 3.12Å; T11-R30 HydrophobicContact CG2-CG 3.73Å
12W93.8Very high79.3Confident20 Ų2057.6 Ų57.68%0.07638%0.38CS..EExtended strand (participates in β ladder)trans-143.6162.9175.652.5-90.9000110.6V6 L14 R28 V29 L73 V78 A79 A80V6-W12 HydrophobicContact CG2-CB 4.38Å; W12-L14 HydrophobicContact CE3-CB 4.29Å; W12-L14 HydrophobicContact CH2-CB 4.33Å; W12-L14 HydrophobicContact CH2-CD1 3.99Å; W12-L14 HydrophobicContact CZ3-CB 3.67Å; W12-L14 HydrophobicContact CZ3-CD1 3.71Å; W12-L14 HydrophobicContact CZ3-CG 4.24Å; W12-R28 CarbonylContact O-C 3.55Å; W12-R28 WeakPolarHBondContact O-CA 3.28Å; W12-V29 HydrophobicContact CD2-CG2 3.82Å; W12-V29 HydrophobicContact CE3-CG2 3.76Å; W12-V29 HydrophobicContact CH2-CG2 3.77Å; W12-V29 HydrophobicContact CZ2-CG2 3.79Å; W12-V29 HydrophobicContact CZ3-CG2 3.75Å; W12-V29 PolarHBondContact N-O 2.97Å; W12-V29 PolarHBondContact O-N 3.23Å; W12-L73 HydrophobicContact CH2-CD1 4.22Å; W12-L73 HydrophobicContact CZ2-CD1 4.11Å; W12-V78 HydrophobicContact CH2-CG1 4Å; W12-V78 WeakPolarHBondContact CZ2-O 3.21Å; W12-A79 VanDerWaalsContact CZ3-C 3.41Å; W12-A79 WeakPolarHBondContact CZ3-O 3.48Å; W12-A80 HydrophobicContact CB-CB 4.02Å; W12-A80 HydrophobicContact CD2-CB 4.03Å; W12-A80 HydrophobicContact CE3-CB 3.64Å; W12-A80 HydrophobicContact CG-CB 4.23Å; W12-A80 HydrophobicContact CZ3-CB 4.36Å
13V94.2Very high82.1Confident53 Ų5355.3 Ų55.332%0.32136%0.355SS..EExtended strand (participates in β ladder)trans-90.4118.7-176.3179.10000109.9K26 R28V13-K26 HydrophobicContact CG1-CB 3.86Å; V13-K26 HydrophobicContact CG1-CD 4.5Å; V13-K26 HydrophobicContact CG1-CG 4.4Å; V13-R28 HydrophobicContact CG2-CG 4.15Å
14L95.6Very high84.6Confident0 Ų051.9 Ų51.90%034%0.34CS..EExtended strand (participates in β ladder)trans-91.4135.9171.9179.362.3000109.6W12 I16 K26 F27 V29 V38 L73 V78 L84W12-L14 HydrophobicContact CE3-CB 4.29Å; W12-L14 HydrophobicContact CH2-CB 4.33Å; W12-L14 HydrophobicContact CH2-CD1 3.99Å; W12-L14 HydrophobicContact CZ3-CB 3.67Å; W12-L14 HydrophobicContact CZ3-CD1 3.71Å; W12-L14 HydrophobicContact CZ3-CG 4.24Å; L14-I16 HydrophobicContact CD2-CD1 3.88Å; L14-I16 HydrophobicContact CD2-CG1 4.1Å; L14-I16 HydrophobicContact CG-CD1 4.27Å; L14-I16 HydrophobicContact CG-CG1 3.94Å; L14-K26 WeakPolarHBondContact O-CA 3.45Å; L14-F27 PolarHBondContact N-O 2.89Å; L14-F27 PolarHBondContact O-N 2.71Å; L14-V29 HydrophobicContact CB-CG1 4.02Å; L14-V29 HydrophobicContact CB-CG2 3.65Å; L14-V29 HydrophobicContact CD2-CG1 4.21Å; L14-V29 HydrophobicContact CD2-CG2 4.42Å; L14-V38 HydrophobicContact CD2-CG1 3.85Å; L14-L73 HydrophobicContact CD2-CD1 4.32Å; L14-L73 HydrophobicContact CD2-CD2 4.22Å; L14-V78 HydrophobicContact CD1-CG1 3.89Å; L14-L84 HydrophobicContact CD1-CD1 4.11Å; L14-L84 HydrophobicContact CD1-CG 4.27Å; L14-L84 HydrophobicContact CD2-CD1 4.28Å
15T97Very high86.6Confident29 Ų2953.5 Ų53.518%0.17833%0.332CS..EExtended strand (participates in β ladder)trans-106.4123.2176.3-55.90000109.6T24 K26 L83 L84T15-T24 HydrophobicContact CG2-CG2 3.36Å; T15-K26 HydrophobicContact CG2-CG 4.02Å; T15-L83 HydrophobicContact CG2-CD1 3.65Å; T15-L84 PolarHBondContact O-N 3.29Å; T15-L84 VanDerWaalsContact O-N 3.14Å
16I97.6Very high88.5Confident0 Ų056.8 Ų56.80%033%0.333CS..EExtended strand (participates in β ladder)trans-124.7124.2179.2-50.7-177.6000109.5L14 T24 R25 F27 V38 L42 L57 L84 F86L14-I16 HydrophobicContact CD2-CD1 3.88Å; L14-I16 HydrophobicContact CD2-CG1 4.1Å; L14-I16 HydrophobicContact CG-CD1 4.27Å; L14-I16 HydrophobicContact CG-CG1 3.94Å; I16-T24 CarbonylContact O-C 3.59Å; I16-T24 WeakPolarHBondContact O-CA 3.32Å; I16-R25 PolarHBondContact N-O 3.02Å; I16-R25 PolarHBondContact O-N 3.44Å; I16-F27 HydrophobicContact CD1-CE1 3.86Å; I16-F27 HydrophobicContact CD1-CZ 3.74Å; I16-F27 HydrophobicContact CG1-CE1 4.49Å; I16-V38 HydrophobicContact CD1-CG1 3.96Å; I16-L42 HydrophobicContact CB-CD2 4.44Å; I16-L42 HydrophobicContact CD1-CD2 4.15Å; I16-L42 HydrophobicContact CG2-CD2 3.84Å; I16-L57 HydrophobicContact CD1-CD2 4.19Å; I16-L57 HydrophobicContact CG2-CD2 3.98Å; I16-L84 CarbonylContact C-O 3.53Å; I16-L84 VanDerWaalsContact CA-O 3.3Å; I16-L84 WeakPolarHBondContact CA-O 3.2Å; I16-L84 HydrophobicContact CG1-CB 4.4Å; I16-F86 HydrophobicContact CG2-CB 3.79Å
17Y97.7Very high90.3Very high60 Ų6052.7 Ų52.724%0.23531%0.307CS..EExtended strand (participates in β ladder)trans-89.7121.9171.1173.5-107.8000110.2N22 L84 H85 F86Y17-N22 WeakPolarHBondContact CE2-OD1 3.5Å; Y17-N22 PolarHBondContact OH-OD1 3.15Å; Y17-L84 PolarHBondContact N-O 3.31Å; Y17-H85 AromaticContact CD1-CE1 3.84Å; Y17-H85 AromaticContact CD1-CG 3.99Å; Y17-H85 AromaticContact CD1-ND1 3.79Å; Y17-H85 CarbonylContact O-C 3.58Å; Y17-H85 VanDerWaalsContact O-CA 3.26Å; Y17-H85 WeakPolarHBondContact O-CA 3.21Å; Y17-F86 PolarHBondContact O-N 3.23Å
18V96.5Very high92Very high0 Ų054.4 Ų54.40%031%0.306CS..EExtended strand (participates in β ladder)trans-96.3105178.6-175.30000108.4L21 N22 V23 R25 L42 L46 W52 F86V18-L21 HydrophobicContact CG1-CB 4.18Å; V18-L21 HydrophobicContact CG1-CD1 4.06Å; V18-L21 HydrophobicContact CG1-CG 4.15Å; V18-L21 PolarHBondContact O-N 3.03Å; V18-N22 WeakPolarHBondContact O-CA 3.28Å; V18-N22 PolarHBondContact O-N 3.2Å; V18-V23 HydrophobicContact CB-CG2 3.97Å; V18-V23 HydrophobicContact CG2-CG2 4.34Å; V18-V23 PolarHBondContact N-O 3.17Å; V18-V23 PolarHBondContact O-N 2.85Å; V18-R25 HydrophobicContact CG2-CG 4.46Å; V18-L42 HydrophobicContact CG2-CD1 4.07Å; V18-L42 HydrophobicContact CG2-CD2 4.26Å; V18-L46 HydrophobicContact CG1-CD1 4.19Å; V18-L46 HydrophobicContact CG2-CD1 4.14Å; V18-L46 HydrophobicContact CG2-CD2 4.27Å; V18-W52 HydrophobicContact CG1-CH2 4.32Å; V18-W52 HydrophobicContact CG1-CZ3 4.28Å; V18-F86 HydrophobicContact CG1-CD1 4.2Å; V18-F86 HydrophobicContact CG2-CB 4.31Å; V18-F86 HydrophobicContact CG2-CD1 4.49Å
19S92.8Very high93.2Very high30 Ų3050.1 Ų50.121%0.2126%0.262CS..G310 helixtrans-61.7-49.7-169.251.90000114.2L21 N22 F86 T87S19-L21 PolarHBondContact O-N 2.65Å; S19-N22 PolarHBondContact O-N 3.45Å; S19-F86 PolarHBondContact N-O 2.95Å; S19-F86 PolarHBondContact OG-O 3.09Å; S19-F86 VanDerWaalsContact OG-O 3.09Å; S19-T87 WeakPolarHBondContact OG-CA 3.49Å; S19-T87 WeakPolarHBondContact OG-CB 3.42Å; S19-T87 PolarHBondContact OG-OG1 2.96Å
20D89.9Confident93.7Very high62 Ų6251.3 Ų51.333%0.33226%0.259SS..G310 helixtrans-63.1-27.4-176.5-67.55.4000114.2R50 H55 P88D20-R50 IonicContact OD2-CZ 2.66Å; D20-R50 IonicContact OD2-NH1 2.77Å; D20-R50 IonicContact OD2-NH2 3.37Å; D20-R50 PolarHBondContact OD2-NH2 3.36Å; D20-H55 IonicContact OD2-CD2 3.59Å; D20-H55 IonicContact OD2-CE1 2.65Å; D20-H55 PolarHBondContact OD2-CE1 3.31Å; D20-H55 IonicContact OD2-NE2 3.48Å; D20-H55 PolarHBondContact OD2-NE2 3.11Å; D20-P88 WeakPolarHBondContact OD1-CD 3.42Å; D20-P88 VanDerWaalsContact OD1-CG 3.22Å; D20-P88 WeakPolarHBondContact OD1-CG 3.2Å
21L92.3Very high94.1Very high53 Ų5349.6 Ų49.628%0.27724%0.242SC..G310 helixtrans-98.8-9.8179.4-62.7179.5000111.9V18 S19 V23 L46 I48 W52V18-L21 HydrophobicContact CG1-CB 4.18Å; V18-L21 HydrophobicContact CG1-CD1 4.06Å; V18-L21 HydrophobicContact CG1-CG 4.15Å; V18-L21 PolarHBondContact O-N 3.03Å; S19-L21 PolarHBondContact O-N 2.65Å; L21-V23 HydrophobicContact CB-CG1 4.32Å; L21-V23 HydrophobicContact CB-CG2 3.75Å; L21-V23 HydrophobicContact CD1-CG2 4.3Å; L21-V23 WeakPolarHBondContact O-CG1 3.21Å; L21-V23 PolarHBondContact O-N 3.04Å; L21-L46 HydrophobicContact CD1-CD1 4.24Å; L21-L46 HydrophobicContact CD1-CD2 3.81Å; L21-I48 HydrophobicContact CD1-CD1 3.43Å; L21-I48 VanDerWaalsContact CD1-CD1 3.43Å; L21-I48 HydrophobicContact CD2-CD1 4.06Å; L21-I48 HydrophobicContact CG-CD1 4.41Å; L21-W52 HydrophobicContact CD1-CH2 3.9Å; L21-W52 HydrophobicContact CD1-CZ2 4.42Å; L21-W52 HydrophobicContact CG-CH2 4.24Å
22N94Very high94.2Very high120 Ų12052.8 Ų52.864%0.64226%0.258SS*.THydrogen-bonded Turntrans50.738.8-172-165.528.7000113.2Y17 V18 S19Y17-N22 WeakPolarHBondContact CE2-OD1 3.5Å; Y17-N22 PolarHBondContact OH-OD1 3.15Å; V18-N22 WeakPolarHBondContact O-CA 3.28Å; V18-N22 PolarHBondContact O-N 3.2Å; S19-N22 PolarHBondContact O-N 3.45Å
23V94.9Very high94.3Very high52 Ų5253.9 Ų53.932%0.31526%0.264SS..EExtended strand (participates in β ladder)trans-118147.4180-61.90000111.7V18 L21 L46V18-V23 HydrophobicContact CB-CG2 3.97Å; V18-V23 HydrophobicContact CG2-CG2 4.34Å; V18-V23 PolarHBondContact N-O 3.17Å; V18-V23 PolarHBondContact O-N 2.85Å; L21-V23 HydrophobicContact CB-CG1 4.32Å; L21-V23 HydrophobicContact CB-CG2 3.75Å; L21-V23 HydrophobicContact CD1-CG2 4.3Å; L21-V23 WeakPolarHBondContact O-CG1 3.21Å; L21-V23 PolarHBondContact O-N 3.04Å; V23-L46 HydrophobicContact CG2-CD2 4.1Å
24T96.2Very high94.4Very high78 Ų7855.6 Ų55.648%0.47927%0.269SS..EExtended strand (participates in β ladder)trans-105123.4171.7-59.50000109.6T15 I16T15-T24 HydrophobicContact CG2-CG2 3.36Å; I16-T24 CarbonylContact O-C 3.59Å; I16-T24 WeakPolarHBondContact O-CA 3.32Å
25R94.9Very high94.4Very high77 Ų7755.6 Ų55.629%0.29127%0.269SS..EExtended strand (participates in β ladder)trans-103.8146.6174.1-64.2-58.9-176.2144.2-5.6111I16 V18 L42 D45 L46I16-R25 PolarHBondContact N-O 3.02Å; I16-R25 PolarHBondContact O-N 3.44Å; V18-R25 HydrophobicContact CG2-CG 4.46Å; R25-L42 HydrophobicContact CB-CD1 3.7Å; R25-L42 HydrophobicContact CG-CD1 3.85Å; R25-D45 WeakPolarHBondContact CD-OD2 3.32Å; R25-D45 IonicContact CZ-OD2 2.66Å; R25-D45 IonicContact NE-OD2 2.91Å; R25-D45 PolarHBondContact NH1-O 3.47Å; R25-D45 IonicContact NH1-OD2 3.01Å; R25-D45 PolarHBondContact NH1-OD2 3.48Å; R25-L46 HydrophobicContact CG-CD2 3.91Å
26K94.6Very high94.3Very high143 Ų14354.9 Ų54.962%0.62227%0.267SS*.EExtended strand (participates in β ladder)trans-135.7119.3178.3-69.1-175.9-179.3-179.90108.7V13 L14 T15V13-K26 HydrophobicContact CG1-CB 3.86Å; V13-K26 HydrophobicContact CG1-CD 4.5Å; V13-K26 HydrophobicContact CG1-CG 4.4Å; L14-K26 WeakPolarHBondContact O-CA 3.45Å; T15-K26 HydrophobicContact CG2-CG 4.02Å
27F91.9Very high94.2Very high14 Ų1455.6 Ų55.66%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-141155.917556-91.1000110.8L14 I16 V29 V38 R41 L42L14-F27 PolarHBondContact N-O 2.89Å; L14-F27 PolarHBondContact O-N 2.71Å; I16-F27 HydrophobicContact CD1-CE1 3.86Å; I16-F27 HydrophobicContact CD1-CZ 3.74Å; I16-F27 HydrophobicContact CG1-CE1 4.49Å; F27-V29 HydrophobicContact CD2-CG1 3.6Å; F27-V29 HydrophobicContact CE2-CG1 3.45Å; F27-V29 VanDerWaalsContact CE2-CG1 3.45Å; F27-V38 HydrophobicContact CE2-CG1 4.12Å; F27-V38 HydrophobicContact CZ-CG1 3.87Å; F27-R41 HydrophobicContact CD2-CG 4.42Å; F27-R41 HydrophobicContact CE2-CG 4.38Å; F27-L42 HydrophobicContact CE1-CB 3.95Å; F27-L42 HydrophobicContact CE1-CD1 3.92Å; F27-L42 HydrophobicContact CZ-CB 4.09Å
28R92.7Very high94.2Very high102 Ų10252.8 Ų52.839%0.38526%0.263SS..EExtended strand (participates in β ladder)trans-74.2130.6179.2-82.2-172.8125.885.215.5110.9T11 W12 V13 R41T11-R28 PolarHBondContact OG1-NE 3.36Å; W12-R28 CarbonylContact O-C 3.55Å; W12-R28 WeakPolarHBondContact O-CA 3.28Å; V13-R28 HydrophobicContact CG2-CG 4.15Å; R28-R41 VanDerWaalsContact O-CZ 3.31Å; R28-R41 PolarHBondContact O-NH1 2.78Å; R28-R41 PolarHBondContact O-NH2 3.3Å
29V94.4Very high94.1Very high2 Ų254.3 Ų54.31%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-127.8164.3176.5-61.10000110.6T11 W12 L14 F27 M33 L73T11-V29 VanDerWaalsContact CA-O 3.28Å; T11-V29 WeakPolarHBondContact CA-O 3.12Å; W12-V29 HydrophobicContact CD2-CG2 3.82Å; W12-V29 HydrophobicContact CE3-CG2 3.76Å; W12-V29 HydrophobicContact CH2-CG2 3.77Å; W12-V29 HydrophobicContact CZ2-CG2 3.79Å; W12-V29 HydrophobicContact CZ3-CG2 3.75Å; W12-V29 PolarHBondContact N-O 2.97Å; W12-V29 PolarHBondContact O-N 3.23Å; L14-V29 HydrophobicContact CB-CG1 4.02Å; L14-V29 HydrophobicContact CB-CG2 3.65Å; L14-V29 HydrophobicContact CD2-CG1 4.21Å; L14-V29 HydrophobicContact CD2-CG2 4.42Å; F27-V29 HydrophobicContact CD2-CG1 3.6Å; F27-V29 HydrophobicContact CE2-CG1 3.45Å; F27-V29 VanDerWaalsContact CE2-CG1 3.45Å; V29-M33 HydrophobicContact CB-SD 3.75Å; V29-M33 HydrophobicContact CG1-SD 4.05Å; V29-L73 HydrophobicContact CB-CD1 3.9Å; V29-L73 HydrophobicContact CG1-CD1 4.4Å; V29-L73 HydrophobicContact CG2-CD1 3.7Å
30R92.7Very high94.1Very high123 Ų12358.2 Ų58.246%0.46429%0.289SS..  trans-111.4153.6164-62-166.9-36.8-145.65.9109.4T11 D32 M33T11-R30 HydrophobicContact CG2-CG 3.73Å; R30-D32 WeakPolarHBondContact CB-OD1 3.4Å; R30-D32 IonicContact CZ-OD1 3.64Å; R30-D32 IonicContact CZ-OD2 3.45Å; R30-D32 IonicContact NE-OD1 2.95Å; R30-D32 PolarHBondContact NE-OD1 3.45Å; R30-D32 IonicContact NE-OD2 2.83Å; R30-D32 VanDerWaalsContact NH2-CG 3.33Å; R30-D32 IonicContact NH2-OD1 3.77Å; R30-D32 PolarHBondContact NH2-OD1 3.07Å; R30-D32 IonicContact NH2-OD2 3.22Å; R30-D32 PolarHBondContact NH2-OD2 3.43Å; R30-D32 PolarHBondContact O-N 2.94Å; R30-M33 HydrophobicContact CB-CG 4.22Å; R30-M33 PolarHBondContact N-SD 3.48Å; R30-M33 VanDerWaalsContact N-SD 3.43Å; R30-M33 WeakPolarHBondContact O-CB 3.32Å; R30-M33 WeakPolarHBondContact O-CG 3.28Å; R30-M33 PolarHBondContact O-N 2.98Å; R30-M33 VanDerWaalsContact O-N 3.1Å
31G91.1Very high94.4Very high7 Ų760 Ų607%0.07229%0.291CS..THydrogen-bonded Turntrans-60.9-27.3-179.800000114.7M33 T72 L73 D74G31-M33 VanDerWaalsContact C-N 3.31Å; G31-M33 PolarHBondContact O-N 3Å; G31-T72 WeakPolarHBondContact O-CB 3.3Å; G31-L73 PolarHBondContact O-N 3.44Å; G31-D74 VanDerWaalsContact C-CG 3.41Å; G31-D74 VanDerWaalsContact CA-OD1 3.25Å; G31-D74 WeakPolarHBondContact CA-OD1 3.48Å; G31-D74 VanDerWaalsContact CA-OD2 3.27Å; G31-D74 WeakPolarHBondContact CA-OD2 3.39Å; G31-D74 PolarHBondContact O-N 3.5Å
32D93.7Very high94.5Very high83 Ų8357.5 Ų57.544%0.44428%0.278SS..THydrogen-bonded Turntrans-82.8-2.5177.969.2-23.3000114.3R30 H34 T72R30-D32 WeakPolarHBondContact CB-OD1 3.4Å; R30-D32 IonicContact CZ-OD1 3.64Å; R30-D32 IonicContact CZ-OD2 3.45Å; R30-D32 IonicContact NE-OD1 2.95Å; R30-D32 PolarHBondContact NE-OD1 3.45Å; R30-D32 IonicContact NE-OD2 2.83Å; R30-D32 VanDerWaalsContact NH2-CG 3.33Å; R30-D32 IonicContact NH2-OD1 3.77Å; R30-D32 PolarHBondContact NH2-OD1 3.07Å; R30-D32 IonicContact NH2-OD2 3.22Å; R30-D32 PolarHBondContact NH2-OD2 3.43Å; R30-D32 PolarHBondContact O-N 2.94Å; D32-H34 PolarHBondContact O-N 2.96Å; D32-T72 WeakPolarHBondContact O-CG2 3.22Å
33M95.2Very high94.5Very high43 Ų4353.6 Ų53.621%0.21226%0.258CS..  trans-67.1131.1172.2-66.9-17666.300110.3V29 R30 G31 V38 T72 L73V29-M33 HydrophobicContact CB-SD 3.75Å; V29-M33 HydrophobicContact CG1-SD 4.05Å; R30-M33 HydrophobicContact CB-CG 4.22Å; R30-M33 PolarHBondContact N-SD 3.48Å; R30-M33 VanDerWaalsContact N-SD 3.43Å; R30-M33 WeakPolarHBondContact O-CB 3.32Å; R30-M33 WeakPolarHBondContact O-CG 3.28Å; R30-M33 PolarHBondContact O-N 2.98Å; R30-M33 VanDerWaalsContact O-N 3.1Å; G31-M33 VanDerWaalsContact C-N 3.31Å; G31-M33 PolarHBondContact O-N 3Å; M33-V38 HydrophobicContact CB-CG2 4Å; M33-V38 HydrophobicContact CE-CG2 4.28Å; M33-T72 CarbonylContact O-C 3.46Å; M33-T72 WeakPolarHBondContact O-CA 3.32Å; M33-L73 HydrophobicContact CB-CD1 4.42Å; M33-L73 PolarHBondContact O-N 3.02Å
34H96.2Very high94.3Very high90 Ų9058 Ų5842%0.41728%0.275SS..BIsolated β-bridgetrans-78.9150.2175.865.4-82.3000111.7D32 G36 G37 V38 T69 S71D32-H34 PolarHBondContact O-N 2.96Å; H34-G36 VanDerWaalsContact C-N 3.3Å; H34-G36 PolarHBondContact O-N 2.93Å; H34-G37 PolarHBondContact CD2-N 3.05Å; H34-G37 PolarHBondContact NE2-N 3.02Å; H34-G37 PolarHBondContact O-N 3.4Å; H34-G37 VanDerWaalsContact O-N 3.07Å; H34-V38 PolarHBondContact O-N 3.49Å; H34-T69 PolarHBondContact CD2-O 2.99Å; H34-S71 CarbonylContact C-O 3.55Å; H34-S71 VanDerWaalsContact CA-O 3.23Å; H34-S71 WeakPolarHBondContact CA-O 3.26Å
35I96.2Very high94.1Very high0 Ų057.8 Ų57.80%027%0.271CS..Hα-helixtrans-56.5-42-174.4-64-47000112.4G37 V38 M39 L57 L66 T69 S71 L73 Y76I35-G37 VanDerWaalsContact C-N 3.33Å; I35-G37 PolarHBondContact O-N 3.16Å; I35-V38 WeakPolarHBondContact O-CB 3.25Å; I35-V38 PolarHBondContact O-N 2.86Å; I35-M39 HydrophobicContact CG2-CG 4.47Å; I35-M39 HydrophobicContact CG2-SD 3.92Å; I35-M39 WeakPolarHBondContact O-CG 3.25Å; I35-M39 PolarHBondContact O-N 3.09Å; I35-L57 HydrophobicContact CG2-CD1 3.96Å; I35-L66 HydrophobicContact CD1-CD2 3.92Å; I35-L66 HydrophobicContact CG1-CB 4.42Å; I35-L66 HydrophobicContact CG2-CB 4.37Å; I35-T69 PolarHBondContact N-O 3.02Å; I35-S71 WeakPolarHBondContact CG1-O 3.37Å; I35-S71 PolarHBondContact N-O 3.27Å; I35-L73 HydrophobicContact CD1-CD2 3.66Å; I35-L73 HydrophobicContact CD1-CG 4.33Å; I35-Y76 HydrophobicContact CD1-CD2 3.98Å; I35-Y76 HydrophobicContact CD1-CE2 4.41Å; I35-Y76 HydrophobicContact CG1-CD2 3.69Å; I35-Y76 HydrophobicContact CG1-CE2 3.66Å
36G95.7Very high93.9Very high13 Ų1354.4 Ų54.413%0.13426%0.259CS..Hα-helixtrans-58.5-43.4176.800000112.7H34 M39 L40 T69H34-G36 VanDerWaalsContact C-N 3.3Å; H34-G36 PolarHBondContact O-N 2.93Å; G36-M39 PolarHBondContact O-N 3.02Å; G36-L40 WeakPolarHBondContact O-CG 3.28Å; G36-L40 PolarHBondContact O-N 2.9Å; G36-T69 PolarHBondContact N-O 3.31Å
37G95.7Very high93.7Very high16 Ų1654.8 Ų54.817%0.16527%0.268CS..Hα-helixtrans-68.4-34.3176.700000113H34 I35 R41H34-G37 PolarHBondContact CD2-N 3.05Å; H34-G37 PolarHBondContact NE2-N 3.02Å; H34-G37 PolarHBondContact O-N 3.4Å; H34-G37 VanDerWaalsContact O-N 3.07Å; I35-G37 VanDerWaalsContact C-N 3.33Å; I35-G37 PolarHBondContact O-N 3.16Å; G37-R41 WeakPolarHBondContact O-CB 3.5Å; G37-R41 PolarHBondContact O-N 3.05Å
38V95.8Very high93.6Very high0 Ų057.5 Ų57.50%028%0.282CS..Hα-helixtrans-64.4-41.6172.5175.60000110.8L14 I16 F27 M33 H34 I35 L42 L57 L73L14-V38 HydrophobicContact CD2-CG1 3.85Å; I16-V38 HydrophobicContact CD1-CG1 3.96Å; F27-V38 HydrophobicContact CE2-CG1 4.12Å; F27-V38 HydrophobicContact CZ-CG1 3.87Å; M33-V38 HydrophobicContact CB-CG2 4Å; M33-V38 HydrophobicContact CE-CG2 4.28Å; H34-V38 PolarHBondContact O-N 3.49Å; I35-V38 WeakPolarHBondContact O-CB 3.25Å; I35-V38 PolarHBondContact O-N 2.86Å; V38-L42 WeakPolarHBondContact O-CB 3.22Å; V38-L42 PolarHBondContact O-N 3.32Å; V38-L57 HydrophobicContact CG1-CD1 4.27Å; V38-L73 HydrophobicContact CG2-CD1 3.96Å; V38-L73 HydrophobicContact CG2-CD2 4.33Å; V38-L73 HydrophobicContact CG2-CG 4.16Å
39M95.1Very high93.3Very high33 Ų3360 Ų6016%0.16331%0.309CS..Hα-helixtrans-65.9-46.7176.3-72.2168.549.600112I35 G36 R41 L42 V43 H55 L57 F86I35-M39 HydrophobicContact CG2-CG 4.47Å; I35-M39 HydrophobicContact CG2-SD 3.92Å; I35-M39 WeakPolarHBondContact O-CG 3.25Å; I35-M39 PolarHBondContact O-N 3.09Å; G36-M39 PolarHBondContact O-N 3.02Å; M39-R41 PolarHBondContact O-N 3.31Å; M39-L42 WeakPolarHBondContact O-CB 3.45Å; M39-L42 PolarHBondContact O-N 2.78Å; M39-V43 WeakPolarHBondContact O-CG2 3.42Å; M39-V43 PolarHBondContact O-N 3.33Å; M39-H55 VanDerWaalsContact CE-O 3.28Å; M39-H55 WeakPolarHBondContact CE-O 3.39Å; M39-L57 HydrophobicContact CG-CD1 4.11Å; M39-L57 HydrophobicContact CG-CG 3.95Å; M39-L57 HydrophobicContact SD-CG 4.38Å; M39-F86 HydrophobicContact CB-CE2 4.5Å; M39-F86 HydrophobicContact CE-CE2 3.99Å; M39-F86 HydrophobicContact CG-CE2 4.06Å
40L93.7Very high93Very high111 Ų11166.1 Ų66.158%0.58133%0.332SS*.Hα-helixtrans-58.3-47.6177.2-73171.4000111.4G36 L42 V43 E44G36-L40 WeakPolarHBondContact O-CG 3.28Å; G36-L40 PolarHBondContact O-N 2.9Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 3.47Å; L40-V43 PolarHBondContact O-N 2.78Å; L40-V43 VanDerWaalsContact O-N 3.14Å; L40-E44 WeakPolarHBondContact O-CG 3.32Å; L40-E44 PolarHBondContact O-N 3.14Å
41R94.8Very high92.8Very high101 Ų10165.7 Ų65.738%0.38134%0.339SS..Hα-helixtrans-62.4-37.1177.2-175173.3-179.7-174.2-3.5112.9F27 R28 G37 M39 D45F27-R41 HydrophobicContact CD2-CG 4.42Å; F27-R41 HydrophobicContact CE2-CG 4.38Å; R28-R41 VanDerWaalsContact O-CZ 3.31Å; R28-R41 PolarHBondContact O-NH1 2.78Å; R28-R41 PolarHBondContact O-NH2 3.3Å; G37-R41 WeakPolarHBondContact O-CB 3.5Å; G37-R41 PolarHBondContact O-N 3.05Å; M39-R41 PolarHBondContact O-N 3.31Å; R41-D45 WeakPolarHBondContact O-CB 3.43Å; R41-D45 PolarHBondContact O-N 3.1Å
42L94.9Very high92.9Very high0 Ų066.5 Ų66.50%034%0.34CS..Hα-helixtrans-63.6-44.7174.2172.567.4000110.9I16 V18 R25 F27 V38 M39 L40 D45 L46 F86I16-L42 HydrophobicContact CB-CD2 4.44Å; I16-L42 HydrophobicContact CD1-CD2 4.15Å; I16-L42 HydrophobicContact CG2-CD2 3.84Å; V18-L42 HydrophobicContact CG2-CD1 4.07Å; V18-L42 HydrophobicContact CG2-CD2 4.26Å; R25-L42 HydrophobicContact CB-CD1 3.7Å; R25-L42 HydrophobicContact CG-CD1 3.85Å; F27-L42 HydrophobicContact CE1-CB 3.95Å; F27-L42 HydrophobicContact CE1-CD1 3.92Å; F27-L42 HydrophobicContact CZ-CB 4.09Å; V38-L42 WeakPolarHBondContact O-CB 3.22Å; V38-L42 PolarHBondContact O-N 3.32Å; M39-L42 WeakPolarHBondContact O-CB 3.45Å; M39-L42 PolarHBondContact O-N 2.78Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 3.47Å; L42-D45 PolarHBondContact O-N 3.49Å; L42-L46 HydrophobicContact CD1-CD1 4.45Å; L42-L46 HydrophobicContact CD1-CG 4.41Å; L42-L46 HydrophobicContact CG-CD1 4.25Å; L42-L46 VanDerWaalsContact O-CG 3.26Å; L42-L46 WeakPolarHBondContact O-CG 3.43Å; L42-L46 PolarHBondContact O-N 3.05Å; L42-F86 HydrophobicContact CD2-CB 3.66Å; L42-F86 HydrophobicContact CD2-CD1 3.59Å; L42-F86 HydrophobicContact CD2-CD2 4.17Å; L42-F86 HydrophobicContact CD2-CE1 4.22Å; L42-F86 HydrophobicContact CD2-CG 3.55Å
43V93.5Very high92.8Very high38 Ų3866.7 Ų66.723%0.2335%0.347CS..Hα-helixtrans-64.4-40.9178.7169.80000111.3M39 L40 L46 D47 W52 F86M39-V43 WeakPolarHBondContact O-CG2 3.42Å; M39-V43 PolarHBondContact O-N 3.33Å; L40-V43 PolarHBondContact O-N 2.78Å; L40-V43 VanDerWaalsContact O-N 3.14Å; V43-L46 PolarHBondContact O-N 3.44Å; V43-D47 PolarHBondContact O-N 3.13Å; V43-W52 VanDerWaalsContact CG1-CD1 3.43Å; V43-W52 HydrophobicContact CG1-CG 4.22Å; V43-W52 HydrophobicContact CG2-CB 4.05Å; V43-W52 HydrophobicContact CG2-CD2 4.2Å; V43-W52 HydrophobicContact CG2-CG 3.75Å; V43-F86 HydrophobicContact CG2-CE1 4.12Å; V43-F86 HydrophobicContact CG2-CZ 4.17Å
44E92.2Very high92.7Very high144 Ų14465.8 Ų65.867%0.67334%0.344SS*.Hα-helixtrans-61.9-43.7173.1-71.5169.4-176.700112L40 L46 D47L40-E44 WeakPolarHBondContact O-CG 3.32Å; L40-E44 PolarHBondContact O-N 3.14Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-L46 PolarHBondContact O-N 2.77Å; E44-D47 PolarHBondContact O-N 3.05Å
45D91.3Very high92.7Very high73 Ų7362 Ų6239%0.3933%0.326SS..Hα-helixtrans-67.4-27.5176.9-176.284000113.4R25 R41 L42 D47R25-D45 WeakPolarHBondContact CD-OD2 3.32Å; R25-D45 IonicContact CZ-OD2 2.66Å; R25-D45 IonicContact NE-OD2 2.91Å; R25-D45 PolarHBondContact NH1-O 3.47Å; R25-D45 IonicContact NH1-OD2 3.01Å; R25-D45 PolarHBondContact NH1-OD2 3.48Å; R41-D45 WeakPolarHBondContact O-CB 3.43Å; R41-D45 PolarHBondContact O-N 3.1Å; L42-D45 PolarHBondContact O-N 3.49Å; D45-D47 VanDerWaalsContact C-N 3.3Å
46L91.2Very high92.7Very high7 Ų762.2 Ų62.24%0.03733%0.328CS..Hα-helixtrans-70.6-28.2175.4-74.6171.9000112.1V18 L21 V23 R25 L42 V43 E44 I48 W52V18-L46 HydrophobicContact CG1-CD1 4.19Å; V18-L46 HydrophobicContact CG2-CD1 4.14Å; V18-L46 HydrophobicContact CG2-CD2 4.27Å; L21-L46 HydrophobicContact CD1-CD1 4.24Å; L21-L46 HydrophobicContact CD1-CD2 3.81Å; V23-L46 HydrophobicContact CG2-CD2 4.1Å; R25-L46 HydrophobicContact CG-CD2 3.91Å; L42-L46 HydrophobicContact CD1-CD1 4.45Å; L42-L46 HydrophobicContact CD1-CG 4.41Å; L42-L46 HydrophobicContact CG-CD1 4.25Å; L42-L46 VanDerWaalsContact O-CG 3.26Å; L42-L46 WeakPolarHBondContact O-CG 3.43Å; L42-L46 PolarHBondContact O-N 3.05Å; V43-L46 PolarHBondContact O-N 3.44Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-L46 PolarHBondContact O-N 2.77Å; L46-I48 WeakPolarHBondContact O-CG1 3.45Å; L46-I48 PolarHBondContact O-N 3.14Å; L46-W52 HydrophobicContact CD1-CH2 3.99Å; L46-W52 HydrophobicContact CD1-CZ2 3.98Å
47D89.8Confident92.8Very high150 Ų15061.6 Ų61.680%0.80232%0.322SS*.THydrogen-bonded Turntrans49.941.6-179.9-162.929.9000113.2V43 E44 D45V43-D47 PolarHBondContact O-N 3.13Å; E44-D47 PolarHBondContact O-N 3.05Å; D45-D47 VanDerWaalsContact C-N 3.3Å
48I88.8Confident92.8Very high71 Ų7161.6 Ų61.636%0.36432%0.317SS..  trans-121.3118.9179.5-68.3159000108.9L21 L46 R50 W52L21-I48 HydrophobicContact CD1-CD1 3.43Å; L21-I48 VanDerWaalsContact CD1-CD1 3.43Å; L21-I48 HydrophobicContact CD2-CD1 4.06Å; L21-I48 HydrophobicContact CG-CD1 4.41Å; L46-I48 WeakPolarHBondContact O-CG1 3.45Å; L46-I48 PolarHBondContact O-N 3.14Å; I48-R50 HydrophobicContact CG2-CB 4.09Å; I48-R50 PolarHBondContact O-N 3.38Å; I48-W52 HydrophobicContact CB-CZ2 4.48Å; I48-W52 HydrophobicContact CG2-CZ2 4.47Å; I48-W52 PolarHBondContact O-NE1 2.96Å
49T86.4Confident92.9Very high154 Ų15462.4 Ų62.495%0.94532%0.32SS*.  trans-7294.9173540000110.3
50R88.9Confident92.9Very high132 Ų13262.6 Ų62.650%0.49832%0.323SS..  trans-147.7156.2177.4-174.5173.5178178.2-6.4109.6D20 I48 W52D20-R50 IonicContact OD2-CZ 2.66Å; D20-R50 IonicContact OD2-NH1 2.77Å; D20-R50 IonicContact OD2-NH2 3.37Å; D20-R50 PolarHBondContact OD2-NH2 3.36Å; I48-R50 HydrophobicContact CG2-CB 4.09Å; I48-R50 PolarHBondContact O-N 3.38Å; R50-W52 HydrophobicContact CB-CZ2 4.32Å; R50-W52 PolarHBondContact O-N 3.36Å; R50-W52 PolarHBondContact O-NE1 3.03Å
51D89.4Confident92.9Very high114 Ų11463.5 Ų63.561%0.6132%0.323SS*.  trans-74.3119.5168.1-176.213.3000110.5S53D51-S53 VanDerWaalsContact CG-OG 3.24Å; D51-S53 WeakPolarHBondContact OD1-CB 3.23Å; D51-S53 PolarHBondContact OD1-N 3.49Å; D51-S53 PolarHBondContact OD1-OG 3.47Å; D51-S53 PolarHBondContact OD2-OG 3.2Å
52W91.9Very high92.8Very high24 Ų2462.1 Ų62.19%0.09132%0.32CS..  trans-110.110.5179.6-61.4102.1000112.3V18 L21 V43 L46 I48 R50 D54 H55 F86V18-W52 HydrophobicContact CG1-CH2 4.32Å; V18-W52 HydrophobicContact CG1-CZ3 4.28Å; L21-W52 HydrophobicContact CD1-CH2 3.9Å; L21-W52 HydrophobicContact CD1-CZ2 4.42Å; L21-W52 HydrophobicContact CG-CH2 4.24Å; V43-W52 VanDerWaalsContact CG1-CD1 3.43Å; V43-W52 HydrophobicContact CG1-CG 4.22Å; V43-W52 HydrophobicContact CG2-CB 4.05Å; V43-W52 HydrophobicContact CG2-CD2 4.2Å; V43-W52 HydrophobicContact CG2-CG 3.75Å; L46-W52 HydrophobicContact CD1-CH2 3.99Å; L46-W52 HydrophobicContact CD1-CZ2 3.98Å; I48-W52 HydrophobicContact CB-CZ2 4.48Å; I48-W52 HydrophobicContact CG2-CZ2 4.47Å; I48-W52 PolarHBondContact O-NE1 2.96Å; R50-W52 HydrophobicContact CB-CZ2 4.32Å; R50-W52 PolarHBondContact O-N 3.36Å; R50-W52 PolarHBondContact O-NE1 3.03Å; W52-D54 VanDerWaalsContact C-N 3.26Å; W52-D54 PolarHBondContact O-N 3.24Å; W52-H55 HydrophobicContact CE3-CB 4.49Å; W52-H55 AromaticContact CE3-CD2 3.74Å; W52-H55 AromaticContact CE3-CE1 3.67Å; W52-H55 AromaticContact CE3-CG 3.75Å; W52-H55 AromaticContact CE3-ND1 3.71Å; W52-H55 AromaticContact CE3-NE2 3.69Å; W52-H55 AromaticContact CZ3-CD2 3.9Å; W52-H55 AromaticContact CZ3-NE2 3.7Å; W52-H55 WeakPolarHBondContact O-CB 3.46Å; W52-H55 PolarHBondContact O-N 2.88Å; W52-F86 HydrophobicContact CB-CZ 4.36Å; W52-F86 HydrophobicContact CD2-CE1 4.06Å; W52-F86 HydrophobicContact CE3-CD1 4.26Å; W52-F86 AromaticContact CE3-CE1 3.45Å; W52-F86 HydrophobicContact CE3-CE1 3.45Å; W52-F86 VanDerWaalsContact CE3-CE1 3.45Å; W52-F86 HydrophobicContact CE3-CZ 4.21Å; W52-F86 HydrophobicContact CZ3-CD1 4.29Å; W52-F86 AromaticContact CZ3-CE1 3.92Å; W52-F86 HydrophobicContact CZ3-CE1 3.92Å
53S91.5Very high92.8Very high86 Ų8665.7 Ų65.760%0.60134%0.335SS*.THydrogen-bonded Turntrans-64.2-28.7-175.862.80000113.7D51 H55D51-S53 VanDerWaalsContact CG-OG 3.24Å; D51-S53 WeakPolarHBondContact OD1-CB 3.23Å; D51-S53 PolarHBondContact OD1-N 3.49Å; D51-S53 PolarHBondContact OD1-OG 3.47Å; D51-S53 PolarHBondContact OD2-OG 3.2Å; S53-H55 VanDerWaalsContact C-N 3.27Å; S53-H55 PolarHBondContact O-N 2.82Å
54D94.4Very high92.8Very high25 Ų2569.7 Ų69.713%0.13435%0.346CS..THydrogen-bonded Turntrans-82.71.4175-173.335.1000112.9W52 P88 M89 H90 R106W52-D54 VanDerWaalsContact C-N 3.26Å; W52-D54 PolarHBondContact O-N 3.24Å; D54-P88 CarbonylContact O-C 3.57Å; D54-P88 WeakPolarHBondContact O-CA 3.4Å; D54-M89 WeakPolarHBondContact O-CG 3.43Å; D54-M89 PolarHBondContact O-N 3.08Å; D54-H90 IonicContact OD1-CE1 2.88Å; D54-H90 IonicContact OD1-CG 2.69Å; D54-H90 PolarHBondContact OD1-N 3.35Å; D54-H90 IonicContact OD1-ND1 2.7Å; D54-H90 PolarHBondContact OD1-ND1 2.97Å; D54-H90 WeakPolarHBondContact OD2-CB 3.29Å; D54-H90 PolarHBondContact OD2-N 2.92Å; D54-R106 IonicContact OD2-CZ 3.08Å; D54-R106 IonicContact OD2-NH2 3.18Å; D54-R106 PolarHBondContact OD2-NH2 3.29Å
55H95.2Very high93Very high9 Ų963.2 Ų63.24%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-100.1138.4-177-63.269.2000112.1D20 M39 W52 S53 F86 T87D20-H55 IonicContact OD2-CD2 3.59Å; D20-H55 IonicContact OD2-CE1 2.65Å; D20-H55 PolarHBondContact OD2-CE1 3.31Å; D20-H55 IonicContact OD2-NE2 3.48Å; D20-H55 PolarHBondContact OD2-NE2 3.11Å; M39-H55 VanDerWaalsContact CE-O 3.28Å; M39-H55 WeakPolarHBondContact CE-O 3.39Å; W52-H55 HydrophobicContact CE3-CB 4.49Å; W52-H55 AromaticContact CE3-CD2 3.74Å; W52-H55 AromaticContact CE3-CE1 3.67Å; W52-H55 AromaticContact CE3-CG 3.75Å; W52-H55 AromaticContact CE3-ND1 3.71Å; W52-H55 AromaticContact CE3-NE2 3.69Å; W52-H55 AromaticContact CZ3-CD2 3.9Å; W52-H55 AromaticContact CZ3-NE2 3.7Å; W52-H55 WeakPolarHBondContact O-CB 3.46Å; W52-H55 PolarHBondContact O-N 2.88Å; S53-H55 VanDerWaalsContact C-N 3.27Å; S53-H55 PolarHBondContact O-N 2.82Å; H55-F86 HydrophobicContact CB-CD1 4.37Å; H55-F86 HydrophobicContact CB-CD2 4.04Å; H55-F86 HydrophobicContact CB-CE1 3.81Å; H55-F86 HydrophobicContact CB-CE2 3.4Å; H55-F86 VanDerWaalsContact CB-CE2 3.4Å; H55-F86 HydrophobicContact CB-CG 4.49Å; H55-F86 HydrophobicContact CB-CZ 3.28Å; H55-T87 WeakPolarHBondContact CA-O 3.36Å
56A96.7Very high93.2Very high6 Ų659.8 Ų59.85%0.0530%0.297CS..EExtended strand (participates in β ladder)trans-134.1166.3172.100000111.1W65 T87 M89A56-W65 HydrophobicContact CB-CE3 3.86Å; A56-W65 HydrophobicContact CB-CZ3 3.84Å; A56-T87 PolarHBondContact N-O 2.85Å; A56-T87 VanDerWaalsContact N-O 3.08Å; A56-T87 PolarHBondContact O-N 2.99Å; A56-T87 VanDerWaalsContact O-N 3.14Å; A56-M89 HydrophobicContact CB-CG 3.68Å; A56-M89 HydrophobicContact CB-SD 3.71Å
57L97.2Very high93.1Very high0 Ų062.6 Ų62.60%032%0.315CS..EExtended strand (participates in β ladder)trans-83.2122.7172.6-67.9178.8000110.2I16 I35 V38 M39 L66 L84 H85 F86I16-L57 HydrophobicContact CD1-CD2 4.19Å; I16-L57 HydrophobicContact CG2-CD2 3.98Å; I35-L57 HydrophobicContact CG2-CD1 3.96Å; V38-L57 HydrophobicContact CG1-CD1 4.27Å; M39-L57 HydrophobicContact CG-CD1 4.11Å; M39-L57 HydrophobicContact CG-CG 3.95Å; M39-L57 HydrophobicContact SD-CG 4.38Å; L57-L66 HydrophobicContact CB-CB 4Å; L57-L66 HydrophobicContact CB-CD2 4.25Å; L57-L66 PolarHBondContact O-N 3.28Å; L57-L84 HydrophobicContact CD1-CD1 4.07Å; L57-L84 HydrophobicContact CD2-CB 4.46Å; L57-H85 CarbonylContact C-O 3.53Å; L57-H85 WeakPolarHBondContact CA-O 3.42Å; L57-F86 HydrophobicContact CD2-CB 4.06Å; L57-F86 HydrophobicContact CD2-CD2 3.9Å; L57-F86 HydrophobicContact CD2-CG 4.41Å; L57-F86 HydrophobicContact CG-CD2 4.47Å
58W97Very high93.1Very high16 Ų1661.3 Ų61.36%0.06130%0.303CS..EExtended strand (participates in β ladder)trans-105.5139.1171.9171.3-114.2000109.9P60 F63 R64 W65 H85 T87 L317 E318W58-P60 WeakPolarHBondContact O-CD 3.37Å; W58-F63 VanDerWaalsContact CH2-CA 3.47Å; W58-F63 HydrophobicContact CH2-CB 4.2Å; W58-F63 HydrophobicContact CZ2-CB 4.32Å; W58-F63 HydrophobicContact CZ2-CD1 4.23Å; W58-R64 VanDerWaalsContact CH2-N 3.27Å; W58-R64 VanDerWaalsContact CZ3-CA 3.43Å; W58-R64 VanDerWaalsContact CZ3-N 3.28Å; W58-W65 HydrophobicContact CB-CD2 4.43Å; W58-W65 HydrophobicContact CB-CE3 3.93Å; W58-W65 HydrophobicContact CB-CH2 4.41Å; W58-W65 HydrophobicContact CB-CZ3 3.91Å; W58-W65 HydrophobicContact CD2-CD2 4.46Å; W58-W65 HydrophobicContact CE3-CB 4.3Å; W58-W65 AromaticContact CE3-CD1 3.63Å; W58-W65 AromaticContact CE3-CD2 3.55Å; W58-W65 HydrophobicContact CE3-CD2 3.55Å; W58-W65 AromaticContact CE3-CE2 3.66Å; W58-W65 HydrophobicContact CE3-CE3 4.19Å; W58-W65 AromaticContact CE3-CG 3.56Å; W58-W65 HydrophobicContact CE3-CG 3.56Å; W58-W65 HydrophobicContact CE3-CZ2 4.43Å; W58-W65 AromaticContact CE3-NE1 3.65Å; W58-W65 AromaticContact CZ3-CD1 3.45Å; W58-W65 VanDerWaalsContact CZ3-CD1 3.45Å; W58-W65 HydrophobicContact CZ3-CD2 4.19Å; W58-W65 AromaticContact CZ3-CG 3.82Å; W58-W65 HydrophobicContact CZ3-CG 3.82Å; W58-W65 AromaticContact CZ3-NE1 3.59Å; W58-H85 HydrophobicContact CB-CB 4.21Å; W58-H85 PolarHBondContact N-O 2.86Å; W58-H85 PolarHBondContact O-N 2.82Å; W58-T87 HydrophobicContact CB-CG2 4.03Å; W58-L317 HydrophobicContact CD2-CD2 3.5Å; W58-L317 VanDerWaalsContact CD2-CD2 3.5Å; W58-L317 HydrophobicContact CD2-CG 4.16Å; W58-L317 HydrophobicContact CE3-CD2 3.81Å; W58-L317 HydrophobicContact CE3-CG 4.35Å; W58-L317 HydrophobicContact CG-CD2 3.85Å; W58-L317 HydrophobicContact CH2-CB 4.19Å; W58-L317 HydrophobicContact CH2-CD2 4.25Å; W58-L317 HydrophobicContact CH2-CG 3.89Å; W58-L317 HydrophobicContact CZ2-CB 4.47Å; W58-L317 HydrophobicContact CZ2-CD2 3.99Å; W58-L317 HydrophobicContact CZ2-CG 3.68Å; W58-L317 HydrophobicContact CZ3-CB 4.34Å; W58-L317 HydrophobicContact CZ3-CD2 4.17Å; W58-L317 HydrophobicContact CZ3-CG 4.21Å; W58-E318 HydrophobicContact CH2-CB 4.5Å; W58-E318 HydrophobicContact CH2-CG 3.96Å; W58-E318 HydrophobicContact CZ3-CG 3.85Å
59W96.6Very high93.3Very high16 Ų1661.2 Ų61.26%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-111.895.9174.6-167.7-0.2000111.3K61 K62 F63 R64 L66 G77 V78 S82 L84W59-K61 PolarHBondContact O-N 3.31Å; W59-K62 HydrophobicContact CB-CB 4.37Å; W59-K62 HydrophobicContact CD2-CB 3.84Å; W59-K62 HydrophobicContact CD2-CG 3.55Å; W59-K62 HydrophobicContact CE3-CB 4.11Å; W59-K62 HydrophobicContact CE3-CG 3.77Å; W59-K62 HydrophobicContact CG-CB 3.96Å; W59-K62 HydrophobicContact CG-CG 4.12Å; W59-K62 HydrophobicContact CH2-CG 4.02Å; W59-K62 HydrophobicContact CZ2-CG 3.82Å; W59-K62 HydrophobicContact CZ3-CG 4Å; W59-K62 CarbonylContact O-C 3.5Å; W59-K62 PolarHBondContact O-N 2.96Å; W59-K62 VanDerWaalsContact O-N 3.12Å; W59-F63 PolarHBondContact O-N 3.18Å; W59-R64 PolarHBondContact N-O 2.78Å; W59-R64 PolarHBondContact O-N 3.02Å; W59-L66 HydrophobicContact CB-CD1 3.79Å; W59-G77 WeakPolarHBondContact CH2-O 3.4Å; W59-V78 HydrophobicContact CE3-CG2 4.11Å; W59-V78 HydrophobicContact CH2-CG2 4.39Å; W59-V78 HydrophobicContact CZ3-CB 4.42Å; W59-V78 HydrophobicContact CZ3-CG2 3.78Å; W59-S82 WeakPolarHBondContact CZ2-OG 3.4Å; W59-L84 HydrophobicContact CB-CD2 3.69Å; W59-L84 HydrophobicContact CD2-CD2 3.92Å; W59-L84 HydrophobicContact CE3-CD2 4.43Å; W59-L84 HydrophobicContact CG-CD2 3.58Å
60P94.8Very high93.7Very high37 Ų3764.7 Ų64.724%0.2430%0.302CS..G310 helixtrans-58-42-175.9-22.328000114.1W58 K62 F63 H85W58-P60 WeakPolarHBondContact O-CD 3.37Å; P60-K62 PolarHBondContact O-N 3.47Å; P60-F63 WeakPolarHBondContact O-CD2 3.34Å; P60-F63 PolarHBondContact O-N 3.4Å; P60-H85 VanDerWaalsContact CG-CD2 3.47Å; P60-H85 WeakPolarHBondContact CG-CD2 3.38Å; P60-H85 WeakPolarHBondContact CG-NE2 3.48Å
61K93.7Very high94Very high130 Ų13059.9 Ų59.957%0.56529%0.289SS*.G310 helixtrans-63-28.1-178.9-173.6-179.6177.8-177.20112.5W59 D81W59-K61 PolarHBondContact O-N 3.31Å; K61-D81 IonicContact NZ-OD2 2.81Å; K61-D81 PolarHBondContact NZ-OD2 2.98Å
62K93.6Very high94.4Very high73 Ų7355.7 Ų55.732%0.31727%0.267SS..G310 helixtrans-105.8-3.8-179.2-68-65.5-171.5175.60113.5W59 P60 R64W59-K62 HydrophobicContact CB-CB 4.37Å; W59-K62 HydrophobicContact CD2-CB 3.84Å; W59-K62 HydrophobicContact CD2-CG 3.55Å; W59-K62 HydrophobicContact CE3-CB 4.11Å; W59-K62 HydrophobicContact CE3-CG 3.77Å; W59-K62 HydrophobicContact CG-CB 3.96Å; W59-K62 HydrophobicContact CG-CG 4.12Å; W59-K62 HydrophobicContact CH2-CG 4.02Å; W59-K62 HydrophobicContact CZ2-CG 3.82Å; W59-K62 HydrophobicContact CZ3-CG 4Å; W59-K62 CarbonylContact O-C 3.5Å; W59-K62 PolarHBondContact O-N 2.96Å; W59-K62 VanDerWaalsContact O-N 3.12Å; P60-K62 PolarHBondContact O-N 3.47Å; K62-R64 VanDerWaalsContact C-N 3.32Å; K62-R64 PolarHBondContact O-N 3.24Å
63F94.2Very high94.6Very high74 Ų7454.6 Ų54.633%0.32526%0.263SS..THydrogen-bonded Turntrans46.354.3-174.2-67.3-93000111.9W58 W59 P60 E318W58-F63 VanDerWaalsContact CH2-CA 3.47Å; W58-F63 HydrophobicContact CH2-CB 4.2Å; W58-F63 HydrophobicContact CZ2-CB 4.32Å; W58-F63 HydrophobicContact CZ2-CD1 4.23Å; W59-F63 PolarHBondContact O-N 3.18Å; P60-F63 WeakPolarHBondContact O-CD2 3.34Å; P60-F63 PolarHBondContact O-N 3.4Å; F63-E318 WeakPolarHBondContact O-CG 3.39Å
64R94.9Very high94.7Very high123 Ų12355.2 Ų55.246%0.46426%0.26SS..EExtended strand (participates in β ladder)trans-146.9144.2-178.5-156-179-139.11766.6112.6W58 W59 K62W58-R64 VanDerWaalsContact CH2-N 3.27Å; W58-R64 VanDerWaalsContact CZ3-CA 3.43Å; W58-R64 VanDerWaalsContact CZ3-N 3.28Å; W59-R64 PolarHBondContact N-O 2.78Å; W59-R64 PolarHBondContact O-N 3.02Å; K62-R64 VanDerWaalsContact C-N 3.32Å; K62-R64 PolarHBondContact O-N 3.24Å
65W95.9Very high94.7Very high7 Ų760.5 Ų60.53%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-83146.4169.2-68.7100.6000112A56 W58 T67 T87 M89 F109 L317A56-W65 HydrophobicContact CB-CE3 3.86Å; A56-W65 HydrophobicContact CB-CZ3 3.84Å; W58-W65 HydrophobicContact CB-CD2 4.43Å; W58-W65 HydrophobicContact CB-CE3 3.93Å; W58-W65 HydrophobicContact CB-CH2 4.41Å; W58-W65 HydrophobicContact CB-CZ3 3.91Å; W58-W65 HydrophobicContact CD2-CD2 4.46Å; W58-W65 HydrophobicContact CE3-CB 4.3Å; W58-W65 AromaticContact CE3-CD1 3.63Å; W58-W65 AromaticContact CE3-CD2 3.55Å; W58-W65 HydrophobicContact CE3-CD2 3.55Å; W58-W65 AromaticContact CE3-CE2 3.66Å; W58-W65 HydrophobicContact CE3-CE3 4.19Å; W58-W65 AromaticContact CE3-CG 3.56Å; W58-W65 HydrophobicContact CE3-CG 3.56Å; W58-W65 HydrophobicContact CE3-CZ2 4.43Å; W58-W65 AromaticContact CE3-NE1 3.65Å; W58-W65 AromaticContact CZ3-CD1 3.45Å; W58-W65 VanDerWaalsContact CZ3-CD1 3.45Å; W58-W65 HydrophobicContact CZ3-CD2 4.19Å; W58-W65 AromaticContact CZ3-CG 3.82Å; W58-W65 HydrophobicContact CZ3-CG 3.82Å; W58-W65 AromaticContact CZ3-NE1 3.59Å; W65-T67 HydrophobicContact CB-CG2 3.88Å; W65-T87 HydrophobicContact CH2-CG2 3.69Å; W65-T87 HydrophobicContact CZ3-CG2 3.86Å; W65-M89 HydrophobicContact CH2-CG 4.34Å; W65-M89 HydrophobicContact CZ3-CG 4.22Å; W65-F109 HydrophobicContact CZ2-CB 4.37Å; W65-F109 PolarHBondContact NE1-O 3.07Å; W65-L317 HydrophobicContact CH2-CD2 4.09Å; W65-L317 HydrophobicContact CZ2-CB 4.28Å; W65-L317 HydrophobicContact CZ2-CD2 3.39Å; W65-L317 HydrophobicContact CZ2-CG 4.48Å
66L95.3Very high94.6Very high2 Ų262 Ų621%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-104.565.8174.9-7462.3000108.3I35 L57 W59 Y76 V78 L84I35-L66 HydrophobicContact CD1-CD2 3.92Å; I35-L66 HydrophobicContact CG1-CB 4.42Å; I35-L66 HydrophobicContact CG2-CB 4.37Å; L57-L66 HydrophobicContact CB-CB 4Å; L57-L66 HydrophobicContact CB-CD2 4.25Å; L57-L66 PolarHBondContact O-N 3.28Å; W59-L66 HydrophobicContact CB-CD1 3.79Å; L66-Y76 HydrophobicContact CB-CE1 4.33Å; L66-Y76 HydrophobicContact CB-CE2 4.21Å; L66-Y76 HydrophobicContact CD2-CG 4.44Å; L66-Y76 HydrophobicContact CG-CD1 3.95Å; L66-Y76 HydrophobicContact CG-CD2 4.27Å; L66-Y76 HydrophobicContact CG-CE1 4.05Å; L66-Y76 HydrophobicContact CG-CE2 4.35Å; L66-Y76 HydrophobicContact CG-CG 4.06Å; L66-V78 HydrophobicContact CD2-CG2 3.9Å; L66-L84 HydrophobicContact CD2-CD1 3.95Å; L66-L84 HydrophobicContact CD2-CD2 4.28Å
67T88.4Confident94.5Very high66 Ų6664 Ų6441%0.40531%0.31SS..  trans-81.5-21.3-173.543.30000114.3W65 T69 Y76W65-T67 HydrophobicContact CB-CG2 3.88Å; T67-T69 PolarHBondContact O-N 3.4Å; T67-Y76 PolarHBondContact N-OH 3.13Å
68H91.1Very high94.4Very high122 Ų12264.1 Ų64.157%0.56531%0.311SS*.  trans-79.589.5178.3-57.5102.7000110R70 S71 Y76H68-R70 PolarHBondContact O-N 2.87Å; H68-R70 VanDerWaalsContact O-N 3.1Å; H68-S71 WeakPolarHBondContact CB-OG 3.47Å; H68-S71 WeakPolarHBondContact O-CB 3.31Å; H68-S71 PolarHBondContact O-N 3.41Å; H68-Y76 HydrophobicContact CB-CE2 4.34Å; H68-Y76 WeakPolarHBondContact CB-OH 3.33Å; H68-Y76 PolarHBondContact N-OH 2.86Å; H68-Y76 PolarHBondContact ND1-OH 3.47Å; H68-Y76 VanDerWaalsContact ND1-OH 3.08Å
69T93.2Very high94.2Very high69 Ų6965.3 Ų65.342%0.42333%0.325SS..THydrogen-bonded Turntrans-59.7-24.6-175.955.30000114H34 I35 G36 T67H34-T69 PolarHBondContact CD2-O 2.99Å; I35-T69 PolarHBondContact N-O 3.02Å; G36-T69 PolarHBondContact N-O 3.31Å; T67-T69 PolarHBondContact O-N 3.4Å
70R94Very high93.9Very high228 Ų22866 Ų6686%0.8633%0.334SS*.THydrogen-bonded Turntrans-82-16.2176.6-62.2-174.3-175.5-172.51.5113.8H68H68-R70 PolarHBondContact O-N 2.87Å; H68-R70 VanDerWaalsContact O-N 3.1Å
71S95.9Very high93.7Very high30 Ų3069.4 Ų69.421%0.2135%0.35CS..SBendtrans-75.9149.6179.2-66.50000111.2H34 I35 H68H34-S71 CarbonylContact C-O 3.55Å; H34-S71 VanDerWaalsContact CA-O 3.23Å; H34-S71 WeakPolarHBondContact CA-O 3.26Å; I35-S71 WeakPolarHBondContact CG1-O 3.37Å; I35-S71 PolarHBondContact N-O 3.27Å; H68-S71 WeakPolarHBondContact CB-OG 3.47Å; H68-S71 WeakPolarHBondContact O-CB 3.31Å; H68-S71 PolarHBondContact O-N 3.41Å
72T96.6Very high93.7Very high27 Ų2763.4 Ų63.417%0.16632%0.324CS..BIsolated β-bridgetrans-85.5161.6179.670.30000112.6G31 D32 M33 D74 Q75 Y76G31-T72 WeakPolarHBondContact O-CB 3.3Å; D32-T72 WeakPolarHBondContact O-CG2 3.22Å; M33-T72 CarbonylContact O-C 3.46Å; M33-T72 WeakPolarHBondContact O-CA 3.32Å; T72-D74 PolarHBondContact O-N 2.99Å; T72-Q75 PolarHBondContact O-N 3.09Å; T72-Q75 VanDerWaalsContact OG1-CG 3.3Å; T72-Q75 WeakPolarHBondContact OG1-CG 3.31Å; T72-Q75 PolarHBondContact OG1-N 3.01Å; T72-Q75 VanDerWaalsContact OG1-N 3.1Å; T72-Y76 PolarHBondContact O-N 3.05Å; T72-Y76 VanDerWaalsContact O-N 3.12Å
73L96Very high93.8Very high0 Ų063.7 Ų63.70%033%0.329CS..Hα-helixtrans-55.5-42171.2-70172.7000111W12 L14 V29 G31 M33 I35 V38 Y76 G77 V78W12-L73 HydrophobicContact CH2-CD1 4.22Å; W12-L73 HydrophobicContact CZ2-CD1 4.11Å; L14-L73 HydrophobicContact CD2-CD1 4.32Å; L14-L73 HydrophobicContact CD2-CD2 4.22Å; V29-L73 HydrophobicContact CB-CD1 3.9Å; V29-L73 HydrophobicContact CG1-CD1 4.4Å; V29-L73 HydrophobicContact CG2-CD1 3.7Å; G31-L73 PolarHBondContact O-N 3.44Å; M33-L73 HydrophobicContact CB-CD1 4.42Å; M33-L73 PolarHBondContact O-N 3.02Å; I35-L73 HydrophobicContact CD1-CD2 3.66Å; I35-L73 HydrophobicContact CD1-CG 4.33Å; V38-L73 HydrophobicContact CG2-CD1 3.96Å; V38-L73 HydrophobicContact CG2-CD2 4.33Å; V38-L73 HydrophobicContact CG2-CG 4.16Å; L73-Y76 CarbonylContact O-C 3.6Å; L73-Y76 PolarHBondContact O-N 3.14Å; L73-G77 PolarHBondContact O-N 3.12Å; L73-V78 HydrophobicContact CB-CB 4.21Å; L73-V78 HydrophobicContact CD2-CB 3.87Å; L73-V78 HydrophobicContact CD2-CG1 4.02Å; L73-V78 HydrophobicContact CD2-CG2 4.03Å; L73-V78 PolarHBondContact O-N 2.78Å
74D94.1Very high93.9Very high100 Ų10060.1 Ų60.154%0.53531%0.313SS..Hα-helixtrans-64.3-40.3176.3-74.3-20.5000112.7G31 T72 Y76 G77G31-D74 VanDerWaalsContact C-CG 3.41Å; G31-D74 VanDerWaalsContact CA-OD1 3.25Å; G31-D74 WeakPolarHBondContact CA-OD1 3.48Å; G31-D74 VanDerWaalsContact CA-OD2 3.27Å; G31-D74 WeakPolarHBondContact CA-OD2 3.39Å; G31-D74 PolarHBondContact O-N 3.5Å; T72-D74 PolarHBondContact O-N 2.99Å; D74-Y76 PolarHBondContact O-N 3.32Å; D74-G77 WeakPolarHBondContact O-CA 3.26Å; D74-G77 PolarHBondContact O-N 3.37Å
75Q94.8Very high94Very high135 Ų13556.6 Ų56.663%0.63130%0.302SS*.Hα-helixtrans-63.6-32.4176.4-76.3172.8-10.600112.4T72 G77T72-Q75 PolarHBondContact O-N 3.09Å; T72-Q75 VanDerWaalsContact OG1-CG 3.3Å; T72-Q75 WeakPolarHBondContact OG1-CG 3.31Å; T72-Q75 PolarHBondContact OG1-N 3.01Å; T72-Q75 VanDerWaalsContact OG1-N 3.1Å; Q75-G77 VanDerWaalsContact C-N 3.33Å
76Y93.3Very high94.1Very high40 Ų4056.3 Ų56.316%0.15730%0.301CS..Hα-helixtrans-81.7-11.7171.5-86.3-71.6000113.5I35 L66 T67 H68 T72 L73 D74 V78I35-Y76 HydrophobicContact CD1-CD2 3.98Å; I35-Y76 HydrophobicContact CD1-CE2 4.41Å; I35-Y76 HydrophobicContact CG1-CD2 3.69Å; I35-Y76 HydrophobicContact CG1-CE2 3.66Å; L66-Y76 HydrophobicContact CB-CE1 4.33Å; L66-Y76 HydrophobicContact CB-CE2 4.21Å; L66-Y76 HydrophobicContact CD2-CG 4.44Å; L66-Y76 HydrophobicContact CG-CD1 3.95Å; L66-Y76 HydrophobicContact CG-CD2 4.27Å; L66-Y76 HydrophobicContact CG-CE1 4.05Å; L66-Y76 HydrophobicContact CG-CE2 4.35Å; L66-Y76 HydrophobicContact CG-CG 4.06Å; T67-Y76 PolarHBondContact N-OH 3.13Å; H68-Y76 HydrophobicContact CB-CE2 4.34Å; H68-Y76 WeakPolarHBondContact CB-OH 3.33Å; H68-Y76 PolarHBondContact N-OH 2.86Å; H68-Y76 PolarHBondContact ND1-OH 3.47Å; H68-Y76 VanDerWaalsContact ND1-OH 3.08Å; T72-Y76 PolarHBondContact O-N 3.05Å; T72-Y76 VanDerWaalsContact O-N 3.12Å; L73-Y76 CarbonylContact O-C 3.6Å; L73-Y76 PolarHBondContact O-N 3.14Å; D74-Y76 PolarHBondContact O-N 3.32Å; Y76-V78 VanDerWaalsContact C-N 3.31Å
77G94.5Very high94.1Very high48 Ų4856.7 Ų56.750%0.49530%0.303SS..THydrogen-bonded Turntrans71.422.6-174.300000113.8W59 L73 D74 Q75 A79W59-G77 WeakPolarHBondContact CH2-O 3.4Å; L73-G77 PolarHBondContact O-N 3.12Å; D74-G77 WeakPolarHBondContact O-CA 3.26Å; D74-G77 PolarHBondContact O-N 3.37Å; Q75-G77 VanDerWaalsContact C-N 3.33Å; G77-A79 PolarHBondContact O-N 2.83Å
78V94.9Very high94.5Very high3 Ų354.2 Ų54.22%0.01829%0.288CS..  trans-71.5125.1176.3-172.50000108.9W12 L14 W59 L66 L73 Y76 L84W12-V78 HydrophobicContact CH2-CG1 4Å; W12-V78 WeakPolarHBondContact CZ2-O 3.21Å; L14-V78 HydrophobicContact CD1-CG1 3.89Å; W59-V78 HydrophobicContact CE3-CG2 4.11Å; W59-V78 HydrophobicContact CH2-CG2 4.39Å; W59-V78 HydrophobicContact CZ3-CB 4.42Å; W59-V78 HydrophobicContact CZ3-CG2 3.78Å; L66-V78 HydrophobicContact CD2-CG2 3.9Å; L73-V78 HydrophobicContact CB-CB 4.21Å; L73-V78 HydrophobicContact CD2-CB 3.87Å; L73-V78 HydrophobicContact CD2-CG1 4.02Å; L73-V78 HydrophobicContact CD2-CG2 4.03Å; L73-V78 PolarHBondContact O-N 2.78Å; Y76-V78 VanDerWaalsContact C-N 3.31Å; V78-L84 HydrophobicContact CG1-CD1 4.03Å; V78-L84 HydrophobicContact CG1-CD2 4.45Å; V78-L84 HydrophobicContact CG1-CG 4.38Å
79A91.8Very high94.7Very high42 Ų4250.1 Ų50.135%0.34727%0.27SS..  trans-121.7176.3179.600000111.7W12 G77 D81 S82W12-A79 VanDerWaalsContact CZ3-C 3.41Å; W12-A79 WeakPolarHBondContact CZ3-O 3.48Å; G77-A79 PolarHBondContact O-N 2.83Å; A79-D81 PolarHBondContact O-N 2.96Å; A79-D81 VanDerWaalsContact O-N 3.13Å; A79-S82 PolarHBondContact N-OG 2.79Å; A79-S82 VanDerWaalsContact N-OG 3.07Å; A79-S82 WeakPolarHBondContact O-CB 3.42Å; A79-S82 PolarHBondContact O-N 3.11Å; A79-S82 PolarHBondContact O-OG 3.02Å
80A90.3Very high94.9Very high30 Ų3050 Ų5025%0.24826%0.264CS..THydrogen-bonded Turntrans-60.7-22.8-176.200000115.6W12 S82W12-A80 HydrophobicContact CB-CB 4.02Å; W12-A80 HydrophobicContact CD2-CB 4.03Å; W12-A80 HydrophobicContact CE3-CB 3.64Å; W12-A80 HydrophobicContact CG-CB 4.23Å; W12-A80 HydrophobicContact CZ3-CB 4.36Å; A80-S82 VanDerWaalsContact C-N 3.28Å
81D90.7Very high94.9Very high109 Ų10939.9 Ų39.958%0.58323%0.227SC*.THydrogen-bonded Turntrans-84.8-1.7174.675.6-47.1000113.1K61 A79K61-D81 IonicContact NZ-OD2 2.81Å; K61-D81 PolarHBondContact NZ-OD2 2.98Å; A79-D81 PolarHBondContact O-N 2.96Å; A79-D81 VanDerWaalsContact O-N 3.13Å
82S94.3Very high94.9Very high3 Ų342 Ų422%0.02124%0.235CC..  trans-79124.7-177.2-55.80000110.5W59 A79 A80W59-S82 WeakPolarHBondContact CZ2-OG 3.4Å; A79-S82 PolarHBondContact N-OG 2.79Å; A79-S82 VanDerWaalsContact N-OG 3.07Å; A79-S82 WeakPolarHBondContact O-CB 3.42Å; A79-S82 PolarHBondContact O-N 3.11Å; A79-S82 PolarHBondContact O-OG 3.02Å; A80-S82 VanDerWaalsContact C-N 3.28Å
83L95.7Very high94.8Very high79 Ų7940.7 Ų40.741%0.41423%0.227SC..EExtended strand (participates in β ladder)trans-97.8112.3166.8178.663.2000108.3T15T15-L83 HydrophobicContact CG2-CD1 3.65Å
84L97.4Very high94.8Very high0 Ų045.1 Ų45.10%024%0.244CC..EExtended strand (participates in β ladder)trans-99.5153.2174.3-57.6-176.2000110.1L14 T15 I16 Y17 L57 W59 L66 V78L14-L84 HydrophobicContact CD1-CD1 4.11Å; L14-L84 HydrophobicContact CD1-CG 4.27Å; L14-L84 HydrophobicContact CD2-CD1 4.28Å; T15-L84 PolarHBondContact O-N 3.29Å; T15-L84 VanDerWaalsContact O-N 3.14Å; I16-L84 CarbonylContact C-O 3.53Å; I16-L84 VanDerWaalsContact CA-O 3.3Å; I16-L84 WeakPolarHBondContact CA-O 3.2Å; I16-L84 HydrophobicContact CG1-CB 4.4Å; Y17-L84 PolarHBondContact N-O 3.31Å; L57-L84 HydrophobicContact CD1-CD1 4.07Å; L57-L84 HydrophobicContact CD2-CB 4.46Å; W59-L84 HydrophobicContact CB-CD2 3.69Å; W59-L84 HydrophobicContact CD2-CD2 3.92Å; W59-L84 HydrophobicContact CE3-CD2 4.43Å; W59-L84 HydrophobicContact CG-CD2 3.58Å; L66-L84 HydrophobicContact CD2-CD1 3.95Å; L66-L84 HydrophobicContact CD2-CD2 4.28Å; V78-L84 HydrophobicContact CG1-CD1 4.03Å; V78-L84 HydrophobicContact CG1-CD2 4.45Å; V78-L84 HydrophobicContact CG1-CG 4.38Å
85H97.2Very high94.9Very high49 Ų4940.4 Ų40.423%0.22722%0.218CC..EExtended strand (participates in β ladder)trans-113.7125.8175.3-73.4-154.1000108.4Y17 L57 W58 P60Y17-H85 AromaticContact CD1-CE1 3.84Å; Y17-H85 AromaticContact CD1-CG 3.99Å; Y17-H85 AromaticContact CD1-ND1 3.79Å; Y17-H85 CarbonylContact O-C 3.58Å; Y17-H85 VanDerWaalsContact O-CA 3.26Å; Y17-H85 WeakPolarHBondContact O-CA 3.21Å; L57-H85 CarbonylContact C-O 3.53Å; L57-H85 WeakPolarHBondContact CA-O 3.42Å; W58-H85 HydrophobicContact CB-CB 4.21Å; W58-H85 PolarHBondContact N-O 2.86Å; W58-H85 PolarHBondContact O-N 2.82Å; P60-H85 VanDerWaalsContact CG-CD2 3.47Å; P60-H85 WeakPolarHBondContact CG-CD2 3.38Å; P60-H85 WeakPolarHBondContact CG-NE2 3.48Å
86F97.2Very high95Very high1 Ų135.9 Ų35.90%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-93111167.6-169.7-126.5000108.2I16 Y17 V18 S19 M39 L42 V43 W52 H55 L57I16-F86 HydrophobicContact CG2-CB 3.79Å; Y17-F86 PolarHBondContact O-N 3.23Å; V18-F86 HydrophobicContact CG1-CD1 4.2Å; V18-F86 HydrophobicContact CG2-CB 4.31Å; V18-F86 HydrophobicContact CG2-CD1 4.49Å; S19-F86 PolarHBondContact N-O 2.95Å; S19-F86 PolarHBondContact OG-O 3.09Å; S19-F86 VanDerWaalsContact OG-O 3.09Å; M39-F86 HydrophobicContact CB-CE2 4.5Å; M39-F86 HydrophobicContact CE-CE2 3.99Å; M39-F86 HydrophobicContact CG-CE2 4.06Å; L42-F86 HydrophobicContact CD2-CB 3.66Å; L42-F86 HydrophobicContact CD2-CD1 3.59Å; L42-F86 HydrophobicContact CD2-CD2 4.17Å; L42-F86 HydrophobicContact CD2-CE1 4.22Å; L42-F86 HydrophobicContact CD2-CG 3.55Å; V43-F86 HydrophobicContact CG2-CE1 4.12Å; V43-F86 HydrophobicContact CG2-CZ 4.17Å; W52-F86 HydrophobicContact CB-CZ 4.36Å; W52-F86 HydrophobicContact CD2-CE1 4.06Å; W52-F86 HydrophobicContact CE3-CD1 4.26Å; W52-F86 AromaticContact CE3-CE1 3.45Å; W52-F86 HydrophobicContact CE3-CE1 3.45Å; W52-F86 VanDerWaalsContact CE3-CE1 3.45Å; W52-F86 HydrophobicContact CE3-CZ 4.21Å; W52-F86 HydrophobicContact CZ3-CD1 4.29Å; W52-F86 AromaticContact CZ3-CE1 3.92Å; W52-F86 HydrophobicContact CZ3-CE1 3.92Å; H55-F86 HydrophobicContact CB-CD1 4.37Å; H55-F86 HydrophobicContact CB-CD2 4.04Å; H55-F86 HydrophobicContact CB-CE1 3.81Å; H55-F86 HydrophobicContact CB-CE2 3.4Å; H55-F86 VanDerWaalsContact CB-CE2 3.4Å; H55-F86 HydrophobicContact CB-CG 4.49Å; H55-F86 HydrophobicContact CB-CZ 3.28Å; L57-F86 HydrophobicContact CD2-CB 4.06Å; L57-F86 HydrophobicContact CD2-CD2 3.9Å; L57-F86 HydrophobicContact CD2-CG 4.41Å; L57-F86 HydrophobicContact CG-CD2 4.47Å
87T95.9Very high95.1Very high10 Ų1034 Ų346%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-148.2150-166.6-165.80000111.9S19 H55 A56 W58 W65 K91S19-T87 WeakPolarHBondContact OG-CA 3.49Å; S19-T87 WeakPolarHBondContact OG-CB 3.42Å; S19-T87 PolarHBondContact OG-OG1 2.96Å; H55-T87 WeakPolarHBondContact CA-O 3.36Å; A56-T87 PolarHBondContact N-O 2.85Å; A56-T87 VanDerWaalsContact N-O 3.08Å; A56-T87 PolarHBondContact O-N 2.99Å; A56-T87 VanDerWaalsContact O-N 3.14Å; W58-T87 HydrophobicContact CB-CG2 4.03Å; W65-T87 HydrophobicContact CH2-CG2 3.69Å; W65-T87 HydrophobicContact CZ3-CG2 3.86Å; T87-K91 PolarHBondContact OG1-NZ 3.13Å
88P95.7Very high95.2Very high13 Ų1331.8 Ų31.88%0.08417%0.167CC..EExtended strand (participates in β ladder)trans-56.2137.8174.2-24.732.3000111.7D20 D54 K91D20-P88 WeakPolarHBondContact OD1-CD 3.42Å; D20-P88 VanDerWaalsContact OD1-CG 3.22Å; D20-P88 WeakPolarHBondContact OD1-CG 3.2Å; D54-P88 CarbonylContact O-C 3.57Å; D54-P88 WeakPolarHBondContact O-CA 3.4Å; P88-K91 WeakPolarHBondContact O-CE 3.45Å; P88-K91 PolarHBondContact O-NZ 3.13Å; P88-K91 VanDerWaalsContact O-NZ 3.09Å
89M96.2Very high95.1Very high36 Ų3631.7 Ų31.718%0.17717%0.166CC..SBendtrans-74.6-43.4170.7-63.9-178.9-70.500109.4D54 A56 W65 F109D54-M89 WeakPolarHBondContact O-CG 3.43Å; D54-M89 PolarHBondContact O-N 3.08Å; A56-M89 HydrophobicContact CB-CG 3.68Å; A56-M89 HydrophobicContact CB-SD 3.71Å; W65-M89 HydrophobicContact CH2-CG 4.34Å; W65-M89 HydrophobicContact CZ3-CG 4.22Å; M89-F109 WeakPolarHBondContact O-CB 3.19Å; M89-F109 PolarHBondContact O-N 2.83Å
90H96.3Very high95.1Very high66 Ų6631.1 Ų31.131%0.30616%0.157SC..EExtended strand (participates in β ladder)trans-83118.5175.3-6877.4000111.9D54 R106 L107 D108D54-H90 IonicContact OD1-CE1 2.88Å; D54-H90 IonicContact OD1-CG 2.69Å; D54-H90 PolarHBondContact OD1-N 3.35Å; D54-H90 IonicContact OD1-ND1 2.7Å; D54-H90 PolarHBondContact OD1-ND1 2.97Å; D54-H90 WeakPolarHBondContact OD2-CB 3.29Å; D54-H90 PolarHBondContact OD2-N 2.92Å; H90-R106 HydrophobicContact CB-CG 3.91Å; H90-R106 VanDerWaalsContact CB-NE 3.27Å; H90-R106 PolarHBondContact O-NE 3.09Å; H90-L107 CarbonylContact C-O 3.56Å; H90-L107 VanDerWaalsContact CA-O 3.23Å; H90-L107 WeakPolarHBondContact CA-O 3.38Å; H90-D108 IonicContact CE1-OD2 3.45Å
91K95.2Very high95.1Very high17 Ų1731.7 Ų31.77%0.07416%0.155CC..EExtended strand (participates in β ladder)trans-130.4158.4-178.1-58.1179.1177.3-59.90110.9T87 P88 R106 L107 F109 E323T87-K91 PolarHBondContact OG1-NZ 3.13Å; P88-K91 WeakPolarHBondContact O-CE 3.45Å; P88-K91 PolarHBondContact O-NZ 3.13Å; P88-K91 VanDerWaalsContact O-NZ 3.09Å; K91-R106 CarbonylContact O-C 3.53Å; K91-R106 WeakPolarHBondContact O-CA 3.42Å; K91-L107 PolarHBondContact N-O 3.5Å; K91-L107 PolarHBondContact O-N 3.27Å; K91-F109 HydrophobicContact CB-CD2 3.7Å; K91-F109 HydrophobicContact CB-CE2 3.68Å; K91-F109 HydrophobicContact CB-CG 4.19Å; K91-F109 HydrophobicContact CB-CZ 4.14Å; K91-F109 HydrophobicContact CD-CB 4.31Å; K91-F109 HydrophobicContact CD-CD1 4.16Å; K91-F109 HydrophobicContact CD-CD2 4.43Å; K91-F109 HydrophobicContact CD-CG 4.06Å; K91-F109 HydrophobicContact CG-CD2 4.29Å; K91-F109 HydrophobicContact CG-CG 4.37Å; K91-E323 HydrophobicContact CB-CB 4.29Å; K91-E323 HydrophobicContact CB-CG 4.03Å; K91-E323 HydrophobicContact CD-CB 4.26Å
92L94.6Very high95.2Very high73 Ų7329.5 Ų29.538%0.38215%0.147SC..EExtended strand (participates in β ladder)trans-71.7131.4174.7-65.6176.4000110.7T104 R106 E323 N324L92-T104 HydrophobicContact CB-CG2 4.15Å; L92-T104 HydrophobicContact CD2-CG2 4.23Å; L92-R106 HydrophobicContact CD2-CB 4.23Å; L92-E323 HydrophobicContact CB-CG 4.48Å; L92-N324 WeakPolarHBondContact CB-OD1 3.27Å; L92-N324 PolarHBondContact O-N 2.79Å
93A94Very high95.1Very high1 Ų129.5 Ų29.51%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-122.3137.6172.100000109.6I95 T104 L105 L107 F109A93-I95 HydrophobicContact CB-CG1 4.32Å; A93-T104 WeakPolarHBondContact O-CA 3.29Å; A93-L105 PolarHBondContact N-O 3.17Å; A93-L105 PolarHBondContact O-N 3.35Å; A93-L107 HydrophobicContact CB-CB 4.48Å; A93-L107 HydrophobicContact CB-CD1 3.72Å; A93-L107 HydrophobicContact CB-CG 4.04Å; A93-F109 HydrophobicContact CB-CE2 4.06Å; A93-F109 HydrophobicContact CB-CZ 3.99Å
94R97.1Very high95.1Very high93 Ų9328.7 Ų28.735%0.35115%0.145SC..EExtended strand (participates in β ladder)trans-89.4121.4170.5-68.3178.365.3-167.70.4107.9I103 N324 Q325 M326 V327R94-I103 WeakPolarHBondContact CA-O 3.28Å; R94-N324 WeakPolarHBondContact CD-O 3.33Å; R94-Q325 PolarHBondContact N-O 2.73Å; R94-M326 HydrophobicContact CB-CB 4.43Å; R94-M326 CarbonylContact O-C 3.52Å; R94-M326 VanDerWaalsContact O-CA 3.29Å; R94-M326 WeakPolarHBondContact O-CA 3.46Å; R94-V327 PolarHBondContact O-N 2.78Å
95I97Very high94.9Very high0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-119.5119.1-173.3-55161.9000107.4A93 L97 C102 I103 L105 L107 L120 V327 L329A93-I95 HydrophobicContact CB-CG1 4.32Å; I95-L97 HydrophobicContact CG2-CD2 4.26Å; I95-C102 WeakPolarHBondContact O-CA 3.25Å; I95-I103 HydrophobicContact CB-CG1 3.95Å; I95-I103 PolarHBondContact N-O 2.96Å; I95-I103 PolarHBondContact O-N 2.88Å; I95-L105 HydrophobicContact CD1-CB 3.99Å; I95-L105 HydrophobicContact CD1-CD1 4.14Å; I95-L105 HydrophobicContact CD1-CG 4.42Å; I95-L107 HydrophobicContact CD1-CD1 3.9Å; I95-L107 HydrophobicContact CD1-CD2 4.35Å; I95-L107 HydrophobicContact CD1-CG 4.26Å; I95-L107 HydrophobicContact CG1-CD1 4.44Å; I95-L120 HydrophobicContact CD1-CD1 3.56Å; I95-L120 HydrophobicContact CD1-CD2 3.9Å; I95-L120 HydrophobicContact CD1-CG 4.38Å; I95-L120 HydrophobicContact CG2-CD2 4.21Å; I95-V327 CarbonylContact C-O 3.6Å; I95-V327 WeakPolarHBondContact CA-O 3.45Å; I95-V327 HydrophobicContact CG1-CG2 4.09Å; I95-L329 HydrophobicContact CG2-CB 3.89Å
96Q95.5Very high94.7Very high40 Ų4033.3 Ų33.319%0.18716%0.161CC..EExtended strand (participates in β ladder)trans-90.8120.7169.1-172.3-174.674.700109.1Q101 M326 V327 L328 L329 R330Q96-Q101 CarbonylContact C-O 3.47Å; Q96-Q101 WeakPolarHBondContact CA-O 3.28Å; Q96-M326 HydrophobicContact CB-SD 4.49Å; Q96-V327 PolarHBondContact N-O 3.01Å; Q96-L328 HydrophobicContact CB-CD2 3.73Å; Q96-L328 HydrophobicContact CG-CD2 4.43Å; Q96-L329 PolarHBondContact O-N 3.35Å; Q96-R330 PolarHBondContact O-NH1 3.18Å
97L96.4Very high94.6Very high1 Ų133.5 Ų33.51%0.00516%0.163CC..  trans-78167.3176.7-61.3-177.4000111.5I95 D99 L100 Q101 I103 L124 L278 L329 R330I95-L97 HydrophobicContact CG2-CD2 4.26Å; L97-D99 VanDerWaalsContact CB-OD1 3.24Å; L97-D99 WeakPolarHBondContact CB-OD1 3.43Å; L97-D99 PolarHBondContact O-N 3.15Å; L97-L100 PolarHBondContact O-N 3.45Å; L97-Q101 PolarHBondContact N-O 3.36Å; L97-I103 HydrophobicContact CD1-CD1 4.23Å; L97-I103 HydrophobicContact CD1-CG2 4.44Å; L97-I103 HydrophobicContact CD2-CD1 4.06Å; L97-I103 HydrophobicContact CG-CD1 4.27Å; L97-L124 HydrophobicContact CD2-CD1 3.75Å; L97-L278 HydrophobicContact CD1-CD2 3.55Å; L97-L329 HydrophobicContact CD2-CB 4.35Å; L97-L329 HydrophobicContact CD2-CD2 3.81Å; L97-R330 PolarHBondContact O-NH1 3.33Å; L97-R330 VanDerWaalsContact O-NH1 3.15Å
98P95.2Very high94.6Very high1 Ų134 Ų341%0.00617%0.165CC..THydrogen-bonded Turntrans-55.2-33.1175.4-30.637.3000115.2L100 L329 F331 Q350 Q354 W357P98-L100 PolarHBondContact O-N 3.01Å; P98-L329 VanDerWaalsContact CD-O 3.31Å; P98-L329 WeakPolarHBondContact CD-O 3.49Å; P98-F331 HydrophobicContact CG-CD2 4.32Å; P98-F331 HydrophobicContact CG-CE2 4.21Å; P98-Q350 HydrophobicContact CB-CB 4.34Å; P98-Q350 VanDerWaalsContact CB-O 3.31Å; P98-Q350 WeakPolarHBondContact CB-O 3.44Å; P98-Q350 HydrophobicContact CG-CB 4.15Å; P98-Q354 HydrophobicContact CB-CB 4.12Å; P98-W357 PolarHBondContact O-NE1 2.68Å
99D92.9Very high94.7Very high1 Ų133.4 Ų33.41%0.00516%0.161CC..THydrogen-bonded Turntrans-768.4174.5674.9000114.9L97 Q101 S281 Q350 E353L97-D99 VanDerWaalsContact CB-OD1 3.24Å; L97-D99 WeakPolarHBondContact CB-OD1 3.43Å; L97-D99 PolarHBondContact O-N 3.15Å; D99-Q101 PolarHBondContact O-N 3.34Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.38Å; D99-Q101 WeakPolarHBondContact OD1-CG 3.39Å; D99-Q101 PolarHBondContact OD1-N 3.1Å; D99-Q101 PolarHBondContact OD2-NE2 2.85Å; D99-S281 WeakPolarHBondContact CB-OG 3.38Å; D99-Q350 PolarHBondContact OD2-NE2 3.16Å; D99-E353 HydrophobicContact CB-CB 3.97Å; D99-E353 HydrophobicContact CB-CG 3.62Å
100L91.9Very high94.6Very high30 Ų3032.6 Ų32.616%0.15716%0.159CC..SBendtrans68.3-0.5-176.3-50.9-179.8000115.6L97 P98 C102 V284 L293 W357L97-L100 PolarHBondContact O-N 3.45Å; P98-L100 PolarHBondContact O-N 3.01Å; L100-C102 PolarHBondContact O-N 3.34Å; L100-V284 HydrophobicContact CD1-CG1 4.31Å; L100-V284 HydrophobicContact CD1-CG2 4.45Å; L100-L293 HydrophobicContact CD1-CD1 4.45Å; L100-W357 HydrophobicContact CD1-CD2 4.36Å; L100-W357 HydrophobicContact CD1-CH2 3.84Å; L100-W357 HydrophobicContact CD1-CZ2 3.42Å; L100-W357 VanDerWaalsContact CD1-CZ2 3.42Å; L100-W357 HydrophobicContact CD1-CZ3 4.46Å; L100-W357 HydrophobicContact CG-CZ2 3.89Å
101Q91.9Very high94.6Very high42 Ų4230.5 Ų30.520%0.19615%0.15CC..  trans-62.8137.3172-63.5-170.17500109.9Q96 L97 D99 S277 P282Q96-Q101 CarbonylContact C-O 3.47Å; Q96-Q101 WeakPolarHBondContact CA-O 3.28Å; L97-Q101 PolarHBondContact N-O 3.36Å; D99-Q101 PolarHBondContact O-N 3.34Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.38Å; D99-Q101 WeakPolarHBondContact OD1-CG 3.39Å; D99-Q101 PolarHBondContact OD1-N 3.1Å; D99-Q101 PolarHBondContact OD2-NE2 2.85Å; Q101-S277 PolarHBondContact NE2-O 3.44Å; Q101-P282 VanDerWaalsContact CD-CD 3.45Å; Q101-P282 HydrophobicContact CG-CG 3.9Å; Q101-P282 VanDerWaalsContact NE2-CD 3.29Å
102C91.7Very high94.7Very high63 Ų6331.7 Ų31.743%0.42616%0.16SC..EExtended strand (participates in β ladder)trans-107.4113.4177.6-69.20000109.3I95 L100I95-C102 WeakPolarHBondContact O-CA 3.25Å; L100-C102 PolarHBondContact O-N 3.34Å
103I92.8Very high94.8Very high4 Ų428.2 Ų28.22%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-106.2154.8174.763.9179.4000109.8R94 I95 L97 L105 L124 Y259R94-I103 WeakPolarHBondContact CA-O 3.28Å; I95-I103 HydrophobicContact CB-CG1 3.95Å; I95-I103 PolarHBondContact N-O 2.96Å; I95-I103 PolarHBondContact O-N 2.88Å; L97-I103 HydrophobicContact CD1-CD1 4.23Å; L97-I103 HydrophobicContact CD1-CG2 4.44Å; L97-I103 HydrophobicContact CD2-CD1 4.06Å; L97-I103 HydrophobicContact CG-CD1 4.27Å; I103-L105 HydrophobicContact CD1-CD1 3.46Å; I103-L105 VanDerWaalsContact CD1-CD1 3.46Å; I103-L105 HydrophobicContact CD1-CG 3.97Å; I103-L105 HydrophobicContact CG1-CD1 4.22Å; I103-L105 HydrophobicContact CG1-CG 4.26Å; I103-L124 HydrophobicContact CD1-CD1 4.36Å; I103-L124 HydrophobicContact CD1-CD2 3.54Å; I103-L124 HydrophobicContact CD1-CG 4.49Å; I103-Y259 HydrophobicContact CB-CD1 4.25Å; I103-Y259 HydrophobicContact CB-CG 4.44Å; I103-Y259 HydrophobicContact CG2-CD1 4.14Å; I103-Y259 HydrophobicContact CG2-CD2 4.39Å; I103-Y259 HydrophobicContact CG2-CG 3.95Å
104T94.9Very high95Very high61 Ų6128.3 Ų28.337%0.37414%0.142SC..EExtended strand (participates in β ladder)trans-116.2116.2171.6-560000107.9L92 A93L92-T104 HydrophobicContact CB-CG2 4.15Å; L92-T104 HydrophobicContact CD2-CG2 4.23Å; A93-T104 WeakPolarHBondContact O-CA 3.29Å
105L92.8Very high94.9Very high7 Ų727.5 Ų27.54%0.03714%0.141CC..EExtended strand (participates in β ladder)trans-126.8154.8-178.4-67.8176000110.4A93 I95 I103 L107 L120 L124 Y259 A261A93-L105 PolarHBondContact N-O 3.17Å; A93-L105 PolarHBondContact O-N 3.35Å; I95-L105 HydrophobicContact CD1-CB 3.99Å; I95-L105 HydrophobicContact CD1-CD1 4.14Å; I95-L105 HydrophobicContact CD1-CG 4.42Å; I103-L105 HydrophobicContact CD1-CD1 3.46Å; I103-L105 VanDerWaalsContact CD1-CD1 3.46Å; I103-L105 HydrophobicContact CD1-CG 3.97Å; I103-L105 HydrophobicContact CG1-CD1 4.22Å; I103-L105 HydrophobicContact CG1-CG 4.26Å; L105-L107 PolarHBondContact O-N 2.98Å; L105-L120 HydrophobicContact CD1-CD1 3.33Å; L105-L124 HydrophobicContact CD1-CD2 4.34Å; L105-Y259 HydrophobicContact CD2-CD1 4.44Å; L105-Y259 HydrophobicContact CD2-CE1 4.22Å; L105-A261 HydrophobicContact CD2-CB 3.79Å
106R93.9Very high94.9Very high139 Ų13927.6 Ų27.653%0.52514%0.142SC..EExtended strand (participates in β ladder)trans-89.2106.4177.8-163.2-176.1177.1175.2-10.4108.8D54 H90 K91 L92D54-R106 IonicContact OD2-CZ 3.08Å; D54-R106 IonicContact OD2-NH2 3.18Å; D54-R106 PolarHBondContact OD2-NH2 3.29Å; H90-R106 HydrophobicContact CB-CG 3.91Å; H90-R106 VanDerWaalsContact CB-NE 3.27Å; H90-R106 PolarHBondContact O-NE 3.09Å; K91-R106 CarbonylContact O-C 3.53Å; K91-R106 WeakPolarHBondContact O-CA 3.42Å; L92-R106 HydrophobicContact CD2-CB 4.23Å
107L94.9Very high95Very high6 Ų625.7 Ų25.73%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-103154.3179.6-61.9-176.9000110.9H90 K91 A93 I95 L105 F109 L120 L316H90-L107 CarbonylContact C-O 3.56Å; H90-L107 VanDerWaalsContact CA-O 3.23Å; H90-L107 WeakPolarHBondContact CA-O 3.38Å; K91-L107 PolarHBondContact N-O 3.5Å; K91-L107 PolarHBondContact O-N 3.27Å; A93-L107 HydrophobicContact CB-CB 4.48Å; A93-L107 HydrophobicContact CB-CD1 3.72Å; A93-L107 HydrophobicContact CB-CG 4.04Å; I95-L107 HydrophobicContact CD1-CD1 3.9Å; I95-L107 HydrophobicContact CD1-CD2 4.35Å; I95-L107 HydrophobicContact CD1-CG 4.26Å; I95-L107 HydrophobicContact CG1-CD1 4.44Å; L105-L107 PolarHBondContact O-N 2.98Å; L107-F109 HydrophobicContact CB-CD2 4.29Å; L107-F109 HydrophobicContact CB-CE2 4.07Å; L107-F109 WeakPolarHBondContact O-CD2 3.2Å; L107-F109 PolarHBondContact O-N 3.04Å; L107-L120 HydrophobicContact CD2-CB 4.22Å; L107-L120 HydrophobicContact CD2-CD1 4.4Å; L107-L316 HydrophobicContact CB-CD1 4.38Å; L107-L316 HydrophobicContact CD1-CD1 4.04Å
108D95.7Very high95Very high21 Ų2127 Ų2711%0.11214%0.141CC..EExtended strand (participates in β ladder)trans-80.6111.7169-173.7-17.8000110.2H90 S110 V111H90-D108 IonicContact CE1-OD2 3.45Å; D108-S110 VanDerWaalsContact C-N 3.27Å; D108-S110 PolarHBondContact O-N 3.47Å; D108-S110 WeakPolarHBondContact OD1-CA 3.49Å; D108-S110 VanDerWaalsContact OD1-CB 3.29Å; D108-S110 WeakPolarHBondContact OD1-CB 3.27Å; D108-S110 PolarHBondContact OD1-N 2.67Å; D108-S110 PolarHBondContact OD1-OG 2.91Å; D108-V111 HydrophobicContact CB-CG2 3.8Å; D108-V111 PolarHBondContact OD1-N 3.22Å; D108-V111 VanDerWaalsContact OD2-CG1 3.26Å; D108-V111 WeakPolarHBondContact OD2-CG1 3.39Å
109F97Very high95Very high0 Ų031 Ų310%016%0.16CC..SBendtrans-85.52.8-179.1-81.8-124.1000113W65 M89 K91 A93 L107 S315 L316 L317 I321W65-F109 HydrophobicContact CZ2-CB 4.37Å; W65-F109 PolarHBondContact NE1-O 3.07Å; M89-F109 WeakPolarHBondContact O-CB 3.19Å; M89-F109 PolarHBondContact O-N 2.83Å; K91-F109 HydrophobicContact CB-CD2 3.7Å; K91-F109 HydrophobicContact CB-CE2 3.68Å; K91-F109 HydrophobicContact CB-CG 4.19Å; K91-F109 HydrophobicContact CB-CZ 4.14Å; K91-F109 HydrophobicContact CD-CB 4.31Å; K91-F109 HydrophobicContact CD-CD1 4.16Å; K91-F109 HydrophobicContact CD-CD2 4.43Å; K91-F109 HydrophobicContact CD-CG 4.06Å; K91-F109 HydrophobicContact CG-CD2 4.29Å; K91-F109 HydrophobicContact CG-CG 4.37Å; A93-F109 HydrophobicContact CB-CE2 4.06Å; A93-F109 HydrophobicContact CB-CZ 3.99Å; L107-F109 HydrophobicContact CB-CD2 4.29Å; L107-F109 HydrophobicContact CB-CE2 4.07Å; L107-F109 WeakPolarHBondContact O-CD2 3.2Å; L107-F109 PolarHBondContact O-N 3.04Å; F109-S315 VanDerWaalsContact O-CB 3.25Å; F109-S315 WeakPolarHBondContact O-CB 3.29Å; F109-S315 PolarHBondContact O-OG 3.39Å; F109-L316 HydrophobicContact CB-CB 4.47Å; F109-L316 HydrophobicContact CD1-CB 3.7Å; F109-L316 HydrophobicContact CD1-CD1 4.3Å; F109-L316 HydrophobicContact CD2-CD1 3.97Å; F109-L316 HydrophobicContact CE1-CB 4.09Å; F109-L316 HydrophobicContact CE1-CD1 4.25Å; F109-L316 HydrophobicContact CE2-CD1 3.92Å; F109-L316 HydrophobicContact CG-CB 4.03Å; F109-L316 HydrophobicContact CG-CD1 4.17Å; F109-L316 HydrophobicContact CZ-CD1 4.07Å; F109-L317 HydrophobicContact CB-CB 4.33Å; F109-L317 HydrophobicContact CD1-CB 4.39Å; F109-I321 HydrophobicContact CE1-CG2 4.17Å
110S95.7Very high95.1Very high19 Ų1931 Ų3113%0.13316%0.159CC..SBendtrans-101.7-22-179.280.40000114.3D108D108-S110 VanDerWaalsContact C-N 3.27Å; D108-S110 PolarHBondContact O-N 3.47Å; D108-S110 WeakPolarHBondContact OD1-CA 3.49Å; D108-S110 VanDerWaalsContact OD1-CB 3.29Å; D108-S110 WeakPolarHBondContact OD1-CB 3.27Å; D108-S110 PolarHBondContact OD1-N 2.67Å; D108-S110 PolarHBondContact OD1-OG 2.91Å
111V95.8Very high95.3Very high21 Ų2129.6 Ų29.613%0.12715%0.152CC..SBendtrans-90.8158.7179.4-63.80000112.3D108 K115 A116 S315D108-V111 HydrophobicContact CB-CG2 3.8Å; D108-V111 PolarHBondContact OD1-N 3.22Å; D108-V111 VanDerWaalsContact OD2-CG1 3.26Å; D108-V111 WeakPolarHBondContact OD2-CG1 3.39Å; V111-K115 HydrophobicContact CB-CB 4.3Å; V111-K115 HydrophobicContact CB-CD 4.15Å; V111-K115 HydrophobicContact CB-CG 4.45Å; V111-K115 HydrophobicContact CG1-CD 4.18Å; V111-K115 HydrophobicContact CG2-CB 4.22Å; V111-K115 HydrophobicContact CG2-CG 4.36Å; V111-A116 HydrophobicContact CG2-CB 4.32Å; V111-S315 WeakPolarHBondContact O-CA 3.45Å; V111-S315 WeakPolarHBondContact O-CB 3.26Å
112P96.2Very high95.3Very high43 Ų4336.2 Ų36.228%0.27918%0.18SC..BIsolated β-bridgetrans-52.1143.4171.7-27.135.9000112.6F114 K115 A116 S312P112-F114 PolarHBondContact O-N 3.1Å; P112-F114 VanDerWaalsContact O-N 3.13Å; P112-K115 WeakPolarHBondContact O-CB 3.43Å; P112-K115 PolarHBondContact O-N 3.45Å; P112-A116 PolarHBondContact O-N 3.34Å; P112-A116 VanDerWaalsContact O-N 3.12Å; P112-S312 WeakPolarHBondContact CB-O 3.41Å
113V97.5Very high95.4Very high0 Ų038.5 Ų38.50%019%0.185CC..Hα-helixtrans-52.4-37.7179.41590000112.1K115 A116 V117 L134 L310 S312 R314 L316V113-K115 VanDerWaalsContact C-N 3.33Å; V113-K115 PolarHBondContact O-N 2.95Å; V113-A116 PolarHBondContact O-N 2.94Å; V113-V117 HydrophobicContact CG1-CG2 4.21Å; V113-V117 VanDerWaalsContact O-CG2 3.3Å; V113-V117 WeakPolarHBondContact O-CG2 3.43Å; V113-V117 PolarHBondContact O-N 2.87Å; V113-L134 HydrophobicContact CG1-CB 4.09Å; V113-L134 HydrophobicContact CG1-CD1 4.22Å; V113-L134 HydrophobicContact CG1-CG 4.31Å; V113-L310 HydrophobicContact CG1-CB 4.44Å; V113-L310 HydrophobicContact CG2-CB 4.32Å; V113-L310 HydrophobicContact CG2-CD1 4.3Å; V113-S312 PolarHBondContact N-O 2.66Å; V113-R314 VanDerWaalsContact CG2-O 3.31Å; V113-R314 WeakPolarHBondContact CG2-O 3.29Å; V113-R314 PolarHBondContact N-O 3.37Å; V113-L316 HydrophobicContact CG2-CD2 3.88Å; V113-L316 HydrophobicContact CG2-CG 4.24Å
114F97.4Very high95.4Very high2 Ų238.6 Ų38.61%0.00919%0.185CC..Hα-helixtrans-55.8-47.6176.2-174.1-115.8000112.3P112 V117 V118 E130 S312 L724 E726 F729 H730P112-F114 PolarHBondContact O-N 3.1Å; P112-F114 VanDerWaalsContact O-N 3.13Å; F114-V117 WeakPolarHBondContact O-CB 3.34Å; F114-V117 PolarHBondContact O-N 3.27Å; F114-V118 HydrophobicContact CE1-CG2 4.34Å; F114-V118 WeakPolarHBondContact O-CG2 3.25Å; F114-V118 PolarHBondContact O-N 3Å; F114-E130 HydrophobicContact CE2-CB 4.01Å; F114-E130 HydrophobicContact CZ-CB 4.08Å; F114-S312 WeakPolarHBondContact CB-O 3.13Å; F114-S312 PolarHBondContact N-O 3.44Å; F114-L724 HydrophobicContact CE1-CD2 3.83Å; F114-L724 HydrophobicContact CE1-CG 4.33Å; F114-L724 HydrophobicContact CZ-CD1 4.15Å; F114-L724 HydrophobicContact CZ-CD2 3.73Å; F114-L724 HydrophobicContact CZ-CG 4.2Å; F114-E726 HydrophobicContact CD1-CG 4.43Å; F114-E726 HydrophobicContact CE1-CB 4.28Å; F114-E726 HydrophobicContact CE1-CG 4.02Å; F114-F729 HydrophobicContact CB-CD1 4.31Å; F114-F729 HydrophobicContact CB-CE1 4.01Å; F114-F729 AromaticContact CD1-CD1 3.69Å; F114-F729 HydrophobicContact CD1-CD1 3.69Å; F114-F729 HydrophobicContact CD1-CE1 4.13Å; F114-F729 HydrophobicContact CD1-CG 4.2Å; F114-F729 AromaticContact CD2-CD1 3.63Å; F114-F729 HydrophobicContact CD2-CD1 3.63Å; F114-F729 HydrophobicContact CD2-CD2 4.35Å; F114-F729 AromaticContact CD2-CE1 3.24Å; F114-F729 HydrophobicContact CD2-CE1 3.24Å; F114-F729 HydrophobicContact CD2-CE2 4.02Å; F114-F729 HydrophobicContact CD2-CG 4.18Å; F114-F729 AromaticContact CD2-CZ 3.45Å; F114-F729 HydrophobicContact CD2-CZ 3.45Å; F114-F729 VanDerWaalsContact CD2-CZ 3.45Å; F114-F729 HydrophobicContact CE1-CB 3.95Å; F114-F729 AromaticContact CE1-CD1 3.77Å; F114-F729 HydrophobicContact CE1-CD1 3.77Å; F114-F729 HydrophobicContact CE1-CD2 4.4Å; F114-F729 HydrophobicContact CE1-CE1 4.4Å; F114-F729 AromaticContact CE1-CG 3.78Å; F114-F729 HydrophobicContact CE1-CG 3.78Å; F114-F729 AromaticContact CE2-CD1 3.69Å; F114-F729 HydrophobicContact CE2-CD1 3.69Å; F114-F729 AromaticContact CE2-CD2 3.65Å; F114-F729 HydrophobicContact CE2-CD2 3.65Å; F114-F729 AromaticContact CE2-CE1 3.57Å; F114-F729 HydrophobicContact CE2-CE1 3.57Å; F114-F729 AromaticContact CE2-CE2 3.51Å; F114-F729 HydrophobicContact CE2-CE2 3.51Å; F114-F729 AromaticContact CE2-CG 3.73Å; F114-F729 HydrophobicContact CE2-CG 3.73Å; F114-F729 AromaticContact CE2-CZ 3.46Å; F114-F729 HydrophobicContact CE2-CZ 3.46Å; F114-F729 VanDerWaalsContact CE2-CZ 3.46Å; F114-F729 AromaticContact CG-CD1 3.61Å; F114-F729 HydrophobicContact CG-CD1 3.61Å; F114-F729 AromaticContact CG-CE1 3.54Å; F114-F729 HydrophobicContact CG-CE1 3.54Å; F114-F729 HydrophobicContact CG-CG 4.37Å; F114-F729 HydrophobicContact CG-CZ 4.22Å; F114-F729 HydrophobicContact CZ-CB 3.99Å; F114-F729 AromaticContact CZ-CD1 3.76Å; F114-F729 HydrophobicContact CZ-CD1 3.76Å; F114-F729 AromaticContact CZ-CD2 3.68Å; F114-F729 HydrophobicContact CZ-CD2 3.68Å; F114-F729 HydrophobicContact CZ-CE1 4.14Å; F114-F729 HydrophobicContact CZ-CE2 4.05Å; F114-F729 AromaticContact CZ-CG 3.51Å; F114-F729 HydrophobicContact CZ-CG 3.51Å; F114-F729 HydrophobicContact CZ-CZ 4.27Å; F114-H730 AromaticContact CD1-NE2 3.95Å
115K96.1Very high95.4Very high76 Ų7636.9 Ų36.933%0.3318%0.179SC..Hα-helixtrans-66.5-39.4178.4-172169.3-175.5175.40112.1V111 P112 V113 V117 V118 H119V111-K115 HydrophobicContact CB-CB 4.3Å; V111-K115 HydrophobicContact CB-CD 4.15Å; V111-K115 HydrophobicContact CB-CG 4.45Å; V111-K115 HydrophobicContact CG1-CD 4.18Å; V111-K115 HydrophobicContact CG2-CB 4.22Å; V111-K115 HydrophobicContact CG2-CG 4.36Å; P112-K115 WeakPolarHBondContact O-CB 3.43Å; P112-K115 PolarHBondContact O-N 3.45Å; V113-K115 VanDerWaalsContact C-N 3.33Å; V113-K115 PolarHBondContact O-N 2.95Å; K115-V117 VanDerWaalsContact C-N 3.29Å; K115-V117 PolarHBondContact O-N 2.94Å; K115-V118 PolarHBondContact O-N 2.79Å; K115-H119 PolarHBondContact O-CD2 2.93Å; K115-H119 PolarHBondContact O-N 3.01Å
116A96.6Very high95.5Very high2 Ų237 Ų372%0.01718%0.18CC..Hα-helixtrans-60.7-38.817300000111.9V111 P112 V113 H119 L120V111-A116 HydrophobicContact CG2-CB 4.32Å; P112-A116 PolarHBondContact O-N 3.34Å; P112-A116 VanDerWaalsContact O-N 3.12Å; V113-A116 PolarHBondContact O-N 2.94Å; A116-H119 PolarHBondContact O-N 2.74Å; A116-L120 VanDerWaalsContact O-CB 3.26Å; A116-L120 WeakPolarHBondContact O-CB 3.38Å; A116-L120 PolarHBondContact O-N 3.44Å
117V97.6Very high95.4Very high1 Ų133.8 Ų33.81%0.00617%0.168CC..Hα-helixtrans-66.4-40.5174.8170.80000111.5V113 F114 K115 H119 L120 C121 P129 L132 L134 L329V113-V117 HydrophobicContact CG1-CG2 4.21Å; V113-V117 VanDerWaalsContact O-CG2 3.3Å; V113-V117 WeakPolarHBondContact O-CG2 3.43Å; V113-V117 PolarHBondContact O-N 2.87Å; F114-V117 WeakPolarHBondContact O-CB 3.34Å; F114-V117 PolarHBondContact O-N 3.27Å; K115-V117 VanDerWaalsContact C-N 3.29Å; K115-V117 PolarHBondContact O-N 2.94Å; V117-H119 PolarHBondContact O-N 2.79Å; V117-L120 PolarHBondContact O-N 3.35Å; V117-C121 WeakPolarHBondContact O-CB 3.34Å; V117-C121 PolarHBondContact O-N 2.86Å; V117-C121 PolarHBondContact O-SG 3.09Å; V117-P129 HydrophobicContact CG1-CB 4.45Å; V117-L132 HydrophobicContact CG1-CB 4.13Å; V117-L134 HydrophobicContact CG2-CD1 4.23Å; V117-L134 HydrophobicContact CG2-CD2 4.47Å; V117-L134 HydrophobicContact CG2-CG 3.74Å; V117-L329 HydrophobicContact CG1-CD1 4.41Å
118V96.1Very high95.2Very high29 Ų2934.4 Ų34.418%0.17617%0.171CC..Hα-helixtrans-58.7-47.6175.2172.70000111F114 K115 C121 K122 P129 L724F114-V118 HydrophobicContact CE1-CG2 4.34Å; F114-V118 WeakPolarHBondContact O-CG2 3.25Å; F114-V118 PolarHBondContact O-N 3Å; K115-V118 PolarHBondContact O-N 2.79Å; V118-C121 PolarHBondContact O-N 3.45Å; V118-K122 PolarHBondContact O-N 3.34Å; V118-P129 HydrophobicContact CB-CB 4.41Å; V118-P129 HydrophobicContact CB-CG 4.35Å; V118-P129 HydrophobicContact CG1-CG 4.36Å; V118-P129 HydrophobicContact CG2-CB 4.01Å; V118-P129 HydrophobicContact CG2-CG 3.85Å; V118-L724 HydrophobicContact CG2-CD2 3.49Å; V118-L724 VanDerWaalsContact CG2-CD2 3.49Å
119H94.9Very high95.2Very high84 Ų8434.3 Ų34.339%0.38917%0.171SC..Hα-helixtrans-63.8-45.8177.5-69-169.8000111.6K115 A116 V117 C121 K122 E123K115-H119 PolarHBondContact O-CD2 2.93Å; K115-H119 PolarHBondContact O-N 3.01Å; A116-H119 PolarHBondContact O-N 2.74Å; V117-H119 PolarHBondContact O-N 2.79Å; H119-C121 PolarHBondContact O-N 3.02Å; H119-K122 WeakPolarHBondContact O-CB 3.4Å; H119-K122 PolarHBondContact O-N 2.89Å; H119-E123 PolarHBondContact O-N 2.52Å
120L95.4Very high95.1Very high0 Ų034.5 Ų34.50%017%0.172CC..Hα-helixtrans-57.7-46.7176.9174.859.5000112.1I95 L105 L107 A116 V117 K122 E123 L124 L134 L329I95-L120 HydrophobicContact CD1-CD1 3.56Å; I95-L120 HydrophobicContact CD1-CD2 3.9Å; I95-L120 HydrophobicContact CD1-CG 4.38Å; I95-L120 HydrophobicContact CG2-CD2 4.21Å; L105-L120 HydrophobicContact CD1-CD1 3.33Å; L107-L120 HydrophobicContact CD2-CB 4.22Å; L107-L120 HydrophobicContact CD2-CD1 4.4Å; A116-L120 VanDerWaalsContact O-CB 3.26Å; A116-L120 WeakPolarHBondContact O-CB 3.38Å; A116-L120 PolarHBondContact O-N 3.44Å; V117-L120 PolarHBondContact O-N 3.35Å; L120-K122 VanDerWaalsContact C-N 3.3Å; L120-K122 PolarHBondContact O-N 2.79Å; L120-E123 PolarHBondContact O-N 3.19Å; L120-L124 HydrophobicContact CD1-CD1 3.73Å; L120-L124 HydrophobicContact CD1-CG 4.11Å; L120-L124 HydrophobicContact CG-CD1 3.92Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.29Å; L120-L134 HydrophobicContact CD2-CD2 4.3Å; L120-L329 HydrophobicContact CD2-CD1 4.07Å; L120-L329 HydrophobicContact CD2-CD2 4Å; L120-L329 HydrophobicContact CD2-CG 4.46Å; L120-L329 HydrophobicContact CG-CD2 4.4Å
121C95.7Very high95.1Very high1 Ų133.7 Ų33.71%0.00717%0.166CC..Hα-helixtrans-66.3-34.2179.2-66.30000112V117 V118 H119 L124 G125 I126 P129V117-C121 WeakPolarHBondContact O-CB 3.34Å; V117-C121 PolarHBondContact O-N 2.86Å; V117-C121 PolarHBondContact O-SG 3.09Å; V118-C121 PolarHBondContact O-N 3.45Å; H119-C121 PolarHBondContact O-N 3.02Å; C121-L124 PolarHBondContact O-N 2.94Å; C121-G125 PolarHBondContact O-N 3.33Å; C121-I126 HydrophobicContact CB-CB 4.05Å; C121-I126 HydrophobicContact CB-CG2 4.43Å; C121-I126 WeakPolarHBondContact CB-O 3.47Å; C121-I126 PolarHBondContact O-N 2.93Å; C121-P129 HydrophobicContact CB-CB 3.79Å
122K93.7Very high95.2Very high182 Ų18232.8 Ų32.879%0.79116%0.161SC*.Hα-helixtrans-62.2-43.5173-173.5-177.2178-175.20111.5V118 H119 L120 L124 G125V118-K122 PolarHBondContact O-N 3.34Å; H119-K122 WeakPolarHBondContact O-CB 3.4Å; H119-K122 PolarHBondContact O-N 2.89Å; L120-K122 VanDerWaalsContact C-N 3.3Å; L120-K122 PolarHBondContact O-N 2.79Å; K122-L124 VanDerWaalsContact C-N 3.31Å; K122-L124 PolarHBondContact O-N 2.95Å; K122-G125 PolarHBondContact O-N 3.15Å
123E92.6Very high95.3Very high110 Ų11030.9 Ų30.951%0.51415%0.148SC..Hα-helixtrans-65.4-33.4175.5-70.3-173.3174.300112.7H119 L120H119-E123 PolarHBondContact O-N 2.52Å; L120-E123 PolarHBondContact O-N 3.19Å
124L94.1Very high95.3Very high7 Ų730.9 Ų30.94%0.03715%0.148CC..Hα-helixtrans-86.8-5-179.4-63.2174.3000114.5L97 I103 L105 L120 C121 K122 I126 L278 L329L97-L124 HydrophobicContact CD2-CD1 3.75Å; I103-L124 HydrophobicContact CD1-CD1 4.36Å; I103-L124 HydrophobicContact CD1-CD2 3.54Å; I103-L124 HydrophobicContact CD1-CG 4.49Å; L105-L124 HydrophobicContact CD1-CD2 4.34Å; L120-L124 HydrophobicContact CD1-CD1 3.73Å; L120-L124 HydrophobicContact CD1-CG 4.11Å; L120-L124 HydrophobicContact CG-CD1 3.92Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.29Å; C121-L124 PolarHBondContact O-N 2.94Å; K122-L124 VanDerWaalsContact C-N 3.31Å; K122-L124 PolarHBondContact O-N 2.95Å; L124-I126 HydrophobicContact CB-CD1 3.94Å; L124-I126 HydrophobicContact CB-CG1 4.04Å; L124-I126 HydrophobicContact CD1-CD1 4.13Å; L124-L278 HydrophobicContact CD2-CD1 3.74Å; L124-L329 HydrophobicContact CD1-CD2 3.87Å
125G93.1Very high95.2Very high24 Ų2432 Ų3225%0.24715%0.153CC..THydrogen-bonded Turntrans6733.4-174.100000113.6C121 K122C121-G125 PolarHBondContact O-N 3.33Å; K122-G125 PolarHBondContact O-N 3.15Å
126I94.7Very high95.2Very high10 Ų1031.3 Ų31.35%0.05115%0.148CC..  trans-102.6114.3177.8-63173.6000108.9C121 L124 L132 V346 R347 Q350C121-I126 HydrophobicContact CB-CB 4.05Å; C121-I126 HydrophobicContact CB-CG2 4.43Å; C121-I126 WeakPolarHBondContact CB-O 3.47Å; C121-I126 PolarHBondContact O-N 2.93Å; L124-I126 HydrophobicContact CB-CD1 3.94Å; L124-I126 HydrophobicContact CB-CG1 4.04Å; L124-I126 HydrophobicContact CD1-CD1 4.13Å; I126-L132 HydrophobicContact CG2-CD1 3.83Å; I126-V346 HydrophobicContact CD1-CG1 4.25Å; I126-V346 HydrophobicContact CG1-CB 4.49Å; I126-V346 HydrophobicContact CG1-CG1 3.81Å; I126-R347 HydrophobicContact CG2-CB 4.15Å; I126-R347 HydrophobicContact CG2-CG 4.27Å; I126-Q350 HydrophobicContact CD1-CG 4.35Å
127R92.3Very high94.8Very high71 Ų7134.5 Ų34.527%0.26817%0.17SC..SBendtrans-72.7163.1171.5-56.6-165.7-57.21514.7110.9D338 D344 R347R127-D338 IonicContact NH1-OD2 2.94Å; R127-D338 PolarHBondContact NH2-O 3.29Å; R127-D338 IonicContact NH2-OD2 2.79Å; R127-D338 PolarHBondContact NH2-OD2 3.42Å; R127-D344 WeakPolarHBondContact CB-OD1 3.5Å; R127-D344 IonicContact CZ-OD1 2.75Å; R127-D344 IonicContact CZ-OD2 3.78Å; R127-D344 IonicContact NE-OD1 3.73Å; R127-D344 PolarHBondContact NE-OD1 2.72Å; R127-D344 IonicContact NE-OD2 2.9Å; R127-D344 IonicContact NH2-OD1 2.7Å; R127-D344 PolarHBondContact NH2-OD1 3.11Å; R127-D344 IonicContact NH2-OD2 2.62Å; R127-D344 PolarHBondContact NH2-OD2 3.4Å; R127-R347 WeakPolarHBondContact O-CD 3.41Å
128H92.1Very high94.1Very high20 Ų2035.8 Ų35.89%0.09318%0.176CC..  trans57.655.9177.7-55.1-75.4000114E130 E131 F337 R347H128-E130 VanDerWaalsContact C-OE2 3.23Å; H128-E130 WeakPolarHBondContact CA-OE2 3.34Å; H128-E130 IonicContact CG-OE1 2.72Å; H128-E130 IonicContact ND1-OE1 2.8Å; H128-E130 PolarHBondContact ND1-OE1 2.81Å; H128-E130 PolarHBondContact O-N 2.85Å; H128-E131 HydrophobicContact CB-CG 4.06Å; H128-E131 WeakPolarHBondContact O-CB 3.29Å; H128-E131 PolarHBondContact O-N 2.95Å; H128-F337 AromaticContact CE1-CD1 3.62Å; H128-R347 VanDerWaalsContact CD2-CZ 3.44Å; H128-R347 PolarHBondContact CD2-NH1 3.13Å
129P95Very high93.1Very high19 Ų1940 Ų4012%0.12319%0.194CC..G310 helixtrans-57.2-22.7-179.325.5-36.2000113.6V117 V118 C121 E131 L132 L724V117-P129 HydrophobicContact CG1-CB 4.45Å; V118-P129 HydrophobicContact CB-CB 4.41Å; V118-P129 HydrophobicContact CB-CG 4.35Å; V118-P129 HydrophobicContact CG1-CG 4.36Å; V118-P129 HydrophobicContact CG2-CB 4.01Å; V118-P129 HydrophobicContact CG2-CG 3.85Å; C121-P129 HydrophobicContact CB-CB 3.79Å; P129-E131 PolarHBondContact O-N 2.86Å; P129-L132 PolarHBondContact O-N 2.91Å; P129-L724 HydrophobicContact CG-CD2 4.03Å
130E94.7Very high91.9Very high3 Ų338.5 Ų38.51%0.01419%0.192CC..G310 helixtrans-63.9-16.517769-83.2-165.200114.9F114 H128 L132 F333 F712 R716 L724F114-E130 HydrophobicContact CE2-CB 4.01Å; F114-E130 HydrophobicContact CZ-CB 4.08Å; H128-E130 VanDerWaalsContact C-OE2 3.23Å; H128-E130 WeakPolarHBondContact CA-OE2 3.34Å; H128-E130 IonicContact CG-OE1 2.72Å; H128-E130 IonicContact ND1-OE1 2.8Å; H128-E130 PolarHBondContact ND1-OE1 2.81Å; H128-E130 PolarHBondContact O-N 2.85Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-F333 WeakPolarHBondContact O-CD2 3.47Å; E130-F333 WeakPolarHBondContact O-CE2 3.37Å; E130-F712 HydrophobicContact CB-CD1 4.2Å; E130-F712 HydrophobicContact CB-CE1 3.84Å; E130-F712 HydrophobicContact CG-CD1 4.23Å; E130-F712 HydrophobicContact CG-CE1 3.91Å; E130-R716 IonicContact OE1-CZ 3.32Å; E130-R716 IonicContact OE1-NE 3.58Å; E130-R716 PolarHBondContact OE1-NE 3.1Å; E130-R716 IonicContact OE1-NH2 3.11Å; E130-R716 PolarHBondContact OE1-NH2 2.93Å; E130-R716 IonicContact OE2-NH2 3.85Å; E130-R716 PolarHBondContact OE2-NH2 2.65Å; E130-L724 HydrophobicContact CB-CD1 3.95Å; E130-L724 HydrophobicContact CG-CD1 4.26Å; E130-L724 WeakPolarHBondContact OE2-CD1 3.22Å
131E95.9Very high90.5Very high2 Ų245.7 Ų45.71%0.00923%0.225CC..G310 helixtrans-78.7-19175.5-61.7173.8168.400111.7H128 P129 F331 K332 F333 F336 F337 R347H128-E131 HydrophobicContact CB-CG 4.06Å; H128-E131 WeakPolarHBondContact O-CB 3.29Å; H128-E131 PolarHBondContact O-N 2.95Å; P129-E131 PolarHBondContact O-N 2.86Å; E131-F331 HydrophobicContact CB-CD1 4.13Å; E131-F331 CarbonylContact O-C 3.49Å; E131-F331 WeakPolarHBondContact O-CA 3.38Å; E131-K332 PolarHBondContact O-N 3.32Å; E131-F333 PolarHBondContact O-N 2.84Å; E131-F333 VanDerWaalsContact O-N 3.12Å; E131-F336 WeakPolarHBondContact OE1-CA 3.44Å; E131-F337 PolarHBondContact OE1-N 3.36Å; E131-R347 IonicContact OE1-CZ 3.38Å; E131-R347 IonicContact OE1-NH2 3.45Å; E131-R347 PolarHBondContact OE1-NH2 2.85Å; E131-R347 IonicContact OE2-CZ 3.57Å; E131-R347 VanDerWaalsContact OE2-CZ 3.32Å; E131-R347 IonicContact OE2-NE 3.44Å; E131-R347 PolarHBondContact OE2-NE 3.41Å; E131-R347 VanDerWaalsContact OE2-NE 3.12Å; E131-R347 IonicContact OE2-NH2 2.66Å; E131-R347 PolarHBondContact OE2-NH2 2.73Å
132L97.8Very high88.9Confident3 Ų351.1 Ų51.12%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-106.3159.8-175.4-60.7101.4000112.2V117 I126 P129 E130 L329 R330 F331V117-L132 HydrophobicContact CG1-CB 4.13Å; I126-L132 HydrophobicContact CG2-CD1 3.83Å; P129-L132 PolarHBondContact O-N 2.91Å; E130-L132 VanDerWaalsContact C-N 3.29Å; L132-L329 HydrophobicContact CB-CD1 3.99Å; L132-L329 HydrophobicContact CD2-CD1 4Å; L132-L329 HydrophobicContact CD2-CD2 4.09Å; L132-L329 HydrophobicContact CD2-CG 3.86Å; L132-R330 WeakPolarHBondContact CA-O 3.34Å; L132-F331 HydrophobicContact CD1-CD1 3.98Å; L132-F331 HydrophobicContact CD1-CE1 3.67Å; L132-F331 HydrophobicContact CD1-CZ 4.31Å; L132-F331 HydrophobicContact CD2-CD1 4.09Å; L132-F331 HydrophobicContact CD2-CD2 4.26Å; L132-F331 HydrophobicContact CD2-CE1 3.92Å; L132-F331 HydrophobicContact CD2-CE2 4.07Å; L132-F331 HydrophobicContact CD2-CG 4.25Å; L132-F331 HydrophobicContact CD2-CZ 3.89Å; L132-F331 HydrophobicContact CG-CD1 3.68Å; L132-F331 HydrophobicContact CG-CE1 3.76Å; L132-F331 HydrophobicContact CG-CG 4.14Å; L132-F331 HydrophobicContact CG-CZ 4.26Å
133S98.1Very high87.2Confident2 Ų243.3 Ų43.31%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-154.9172169.7-163.40000110.5R330S133-R330 PolarHBondContact N-O 2.78Å; S133-R330 PolarHBondContact O-N 3.17Å; S133-R330 VanDerWaalsContact O-N 3.15Å
134L98.1Very high85.3Confident0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-94.9141175.5-65.6176.7000111V113 V117 L120 L310 L316 V327 L328 L329V113-L134 HydrophobicContact CG1-CB 4.09Å; V113-L134 HydrophobicContact CG1-CD1 4.22Å; V113-L134 HydrophobicContact CG1-CG 4.31Å; V117-L134 HydrophobicContact CG2-CD1 4.23Å; V117-L134 HydrophobicContact CG2-CD2 4.47Å; V117-L134 HydrophobicContact CG2-CG 3.74Å; L120-L134 HydrophobicContact CD2-CD2 4.3Å; L134-L310 HydrophobicContact CB-CD1 3.83Å; L134-L310 HydrophobicContact CB-CG 4.43Å; L134-L310 WeakPolarHBondContact O-CB 3.5Å; L134-L310 PolarHBondContact O-N 3.32Å; L134-L316 HydrophobicContact CD1-CD2 3.88Å; L134-V327 HydrophobicContact CD2-CG2 4.19Å; L134-L328 CarbonylContact C-O 3.53Å; L134-L328 WeakPolarHBondContact CA-O 3.41Å; L134-L329 HydrophobicContact CD2-CB 4.26Å; L134-L329 HydrophobicContact CD2-CD1 4.07Å
135K95.7Very high82.9Confident25 Ų2549.7 Ų49.711%0.10925%0.248CC..EExtended strand (participates in β ladder)trans-127.9145.8178.3-170.9-173.21791790109.5I305 G308 W309 L328K135-I305 WeakPolarHBondContact CE-O 3.46Å; K135-I305 VanDerWaalsContact NZ-CG2 3.3Å; K135-I305 PolarHBondContact NZ-O 2.89Å; K135-G308 CarbonylContact C-O 3.55Å; K135-G308 WeakPolarHBondContact CA-O 3.43Å; K135-G308 VanDerWaalsContact CG-C 3.41Å; K135-G308 WeakPolarHBondContact CG-O 3.47Å; K135-W309 HydrophobicContact CB-CD2 4.39Å; K135-W309 HydrophobicContact CB-CE3 3.82Å; K135-W309 HydrophobicContact CB-CZ3 4.01Å; K135-W309 HydrophobicContact CG-CD2 4.35Å; K135-W309 HydrophobicContact CG-CE3 4.27Å; K135-L328 HydrophobicContact CB-CB 4.2Å; K135-L328 HydrophobicContact CD-CD1 4.45Å; K135-L328 PolarHBondContact N-O 2.84Å; K135-L328 PolarHBondContact O-N 2.75Å
136R94.3Very high80.3Confident63 Ų6351 Ų5124%0.23826%0.262CS..EExtended strand (participates in β ladder)trans-67140.8170.6-63-175.2-170.8-90.6-4.6110.3I138 G308 L310 Q319 I321R136-I138 HydrophobicContact CB-CD1 4.49Å; R136-I138 HydrophobicContact CB-CG1 4.13Å; R136-I138 PolarHBondContact O-N 3.15Å; R136-G308 PolarHBondContact N-O 2.91Å; R136-L310 HydrophobicContact CG-CD2 3.63Å; R136-Q319 PolarHBondContact NH1-O 3.22Å; R136-Q319 PolarHBondContact NH2-O 2.99Å; R136-I321 HydrophobicContact CG-CD1 4.34Å; R136-I321 VanDerWaalsContact NH1-CD1 3.26Å
137C88.6Confident77.5Confident69 Ų6957.9 Ų57.947%0.46630%0.299SS..  trans-72.2111.9162.2-168.80000108.5M326 L328C137-M326 HydrophobicContact CB-CG 4.42Å; C137-M326 HydrophobicContact CB-SD 4.5Å; C137-L328 HydrophobicContact CB-CD2 4.04Å; C137-L328 HydrophobicContact CB-CG 4.26Å
138I83.6Confident74.8Confident28 Ų2858.4 Ų58.414%0.14433%0.326CS..  trans-114.8125.7177.6-64.8169.2000107R136 F142 W143R136-I138 HydrophobicContact CB-CD1 4.49Å; R136-I138 HydrophobicContact CB-CG1 4.13Å; R136-I138 PolarHBondContact O-N 3.15Å; I138-F142 HydrophobicContact CG2-CB 3.82Å; I138-F142 HydrophobicContact CG2-CD2 4.47Å; I138-F142 HydrophobicContact CG2-CG 4.43Å; I138-W143 HydrophobicContact CB-CH2 4.17Å; I138-W143 HydrophobicContact CB-CZ2 3.6Å; I138-W143 HydrophobicContact CD1-CH2 3.48Å; I138-W143 VanDerWaalsContact CD1-CH2 3.48Å; I138-W143 HydrophobicContact CD1-CZ2 3.8Å; I138-W143 HydrophobicContact CD1-CZ3 4.19Å; I138-W143 HydrophobicContact CG1-CH2 4.4Å; I138-W143 HydrophobicContact CG1-CZ2 4.24Å; I138-W143 HydrophobicContact CG2-CD2 4.21Å; I138-W143 HydrophobicContact CG2-CH2 4.21Å; I138-W143 HydrophobicContact CG2-CZ2 3.8Å; I138-W143 HydrophobicContact CG2-CZ3 4.47Å; I138-W143 PolarHBondContact O-NE1 2.98Å
139E75.4Confident71.9Confident116 Ų11663.6 Ų63.654%0.54235%0.354SS..  trans-64.8143.7-178-64.4178.1165.400111.5E141 F142E139-E141 PolarHBondContact O-N 3.5Å; E139-F142 HydrophobicContact CB-CD2 3.85Å; E139-F142 HydrophobicContact CB-CE2 4.05Å; E139-F142 PolarHBondContact O-N 3.28Å
140P68.7Low68.7Low53 Ų5366.1 Ų66.134%0.34438%0.383SS..Hα-helixtrans-50-34.9-176.6-29.433.9000115.5F142 W143 G144 S292 F294P140-F142 PolarHBondContact O-N 2.97Å; P140-W143 WeakPolarHBondContact O-CB 3.33Å; P140-W143 PolarHBondContact O-N 3.4Å; P140-W143 VanDerWaalsContact O-N 3.11Å; P140-G144 PolarHBondContact O-N 3.38Å; P140-S292 VanDerWaalsContact CG-O 3.23Å; P140-S292 WeakPolarHBondContact CG-O 3.37Å; P140-F294 HydrophobicContact CB-CB 4.07Å; P140-F294 HydrophobicContact CB-CD2 4.48Å; P140-F294 HydrophobicContact CG-CB 4.38Å
141E66Low65.6Low151 Ų15169.5 Ų69.571%0.70642%0.419SS*.Hα-helixtrans-62.8-27.8-177.1-61.6174-178.300112.9E139E139-E141 PolarHBondContact O-N 3.5Å
142F62.1Low62.5Low116 Ų11673 Ų7351%0.50945%0.449SS..Hα-helixtrans-74.4-30.1177.2-68.6-82.4000112.2I138 E139 P140I138-F142 HydrophobicContact CG2-CB 3.82Å; I138-F142 HydrophobicContact CG2-CD2 4.47Å; I138-F142 HydrophobicContact CG2-CG 4.43Å; E139-F142 HydrophobicContact CB-CD2 3.85Å; E139-F142 HydrophobicContact CB-CE2 4.05Å; E139-F142 PolarHBondContact O-N 3.28Å; P140-F142 PolarHBondContact O-N 2.97Å
143W58.1Low59Low17 Ų1779 Ų796%0.06449%0.485CS..Hα-helixtrans-72.4-31.5177.6-54.2127.2000112.6I138 P140 R145 F294 A304 Q307I138-W143 HydrophobicContact CB-CH2 4.17Å; I138-W143 HydrophobicContact CB-CZ2 3.6Å; I138-W143 HydrophobicContact CD1-CH2 3.48Å; I138-W143 VanDerWaalsContact CD1-CH2 3.48Å; I138-W143 HydrophobicContact CD1-CZ2 3.8Å; I138-W143 HydrophobicContact CD1-CZ3 4.19Å; I138-W143 HydrophobicContact CG1-CH2 4.4Å; I138-W143 HydrophobicContact CG1-CZ2 4.24Å; I138-W143 HydrophobicContact CG2-CD2 4.21Å; I138-W143 HydrophobicContact CG2-CH2 4.21Å; I138-W143 HydrophobicContact CG2-CZ2 3.8Å; I138-W143 HydrophobicContact CG2-CZ3 4.47Å; I138-W143 PolarHBondContact O-NE1 2.98Å; P140-W143 WeakPolarHBondContact O-CB 3.33Å; P140-W143 PolarHBondContact O-N 3.4Å; P140-W143 VanDerWaalsContact O-N 3.11Å; W143-R145 VanDerWaalsContact C-N 3.33Å; W143-R145 PolarHBondContact O-N 2.87Å; W143-F294 HydrophobicContact CB-CD1 4.14Å; W143-F294 HydrophobicContact CB-CD2 3.73Å; W143-F294 HydrophobicContact CB-CE1 3.75Å; W143-F294 HydrophobicContact CB-CE2 3.32Å; W143-F294 HydrophobicContact CB-CG 4.12Å; W143-F294 HydrophobicContact CB-CZ 3.32Å; W143-F294 AromaticContact CD1-CD1 3.69Å; W143-F294 AromaticContact CD1-CD2 3.85Å; W143-F294 AromaticContact CD1-CG 3.51Å; W143-F294 HydrophobicContact CG-CD1 4Å; W143-F294 HydrophobicContact CG-CD2 4.15Å; W143-F294 AromaticContact CG-CE1 3.98Å; W143-F294 HydrophobicContact CG-CE1 3.98Å; W143-F294 HydrophobicContact CG-CE2 4.16Å; W143-F294 HydrophobicContact CG-CG 4.07Å; W143-F294 HydrophobicContact CG-CZ 4.06Å; W143-A304 HydrophobicContact CE3-CB 3.57Å; W143-A304 WeakPolarHBondContact CH2-O 3.27Å; W143-A304 HydrophobicContact CZ3-CB 4.01Å; W143-A304 WeakPolarHBondContact CZ3-O 3.2Å; W143-Q307 HydrophobicContact CH2-CB 4.02Å; W143-Q307 HydrophobicContact CZ3-CB 3.7Å
144G52.1Low55.6Low47 Ų4787 Ų8749%0.48553%0.527SS..Hα-helixtrans-67.7-26.9-178.100000114.4P140 G146P140-G144 PolarHBondContact O-N 3.38Å; G144-G146 PolarHBondContact O-N 3.39Å
145R44.9Very low52.2Low205 Ų20595.7 Ų95.777%0.77457%0.568SS**THydrogen-bonded Turntrans-84.939.8-179.5-63.7-162.4-154.9-98.31.7113.6W143 N147W143-R145 VanDerWaalsContact C-N 3.33Å; W143-R145 PolarHBondContact O-N 2.87Å; R145-N147 PolarHBondContact O-N 3.37Å
146G37.4Very low48.9Very low51 Ų51104.6 Ų104.653%0.52661%0.606SS.*  trans-65.973.316900000112G144G144-G146 PolarHBondContact O-N 3.39Å
147N35.8Very low45.6Very low155 Ų155113.7 Ų113.783%0.82964%0.641SS**SBendtrans173.4102.7152-98.3-8.5000109.4R145 N149R145-N147 PolarHBondContact O-N 3.37Å; N147-N149 PolarHBondContact O-N 3.45Å
148G36.8Very low42.5Very low81 Ų81114.3 Ų114.384%0.83566%0.659SS**SBendtrans72.8-17.6143.600000121.6
149N29.8Very low39.7Very low130 Ų130118.5 Ų118.570%0.69569%0.69SS**  trans-1149-167.7-109.333.1000117.8N147 G151N147-N149 PolarHBondContact O-N 3.45Å; N149-G151 PolarHBondContact O-N 2.74Å
150G28.2Very low37.2Very low71 Ų71121 Ų12173%0.73271%0.707SS**THydrogen-bonded Turntrans-70.2-5.9178.100000115.9
151G30.3Very low35.3Very low74 Ų74124.6 Ų124.676%0.76373%0.728SS**THydrogen-bonded Turntrans-89.9-12.8-178.900000116.2N149N149-G151 PolarHBondContact O-N 2.74Å
152A30Very low33.2Very low77 Ų77125.4 Ų125.464%0.63674%0.737SS**SBendtrans-122.5-0.4-164.100000116.8
153T26.2Very low31.7Very low127 Ų127125.8 Ų125.878%0.77975%0.748SS**SBendtrans-102.310.8179.8220000115.4
154L26.6Very low30.1Very low171 Ų171130.5 Ų130.590%0.89578%0.784SS**SBendtrans-119.542.2173.7-149.780.8000113.3
155E26.6Very low28.9Very low183 Ų183137.4 Ų137.486%0.85580%0.804SS**SBendtrans-124.46.2170.9-78.3-153.515500115.4
156K26.1Very low28Very low211 Ų211138.8 Ų138.892%0.91781%0.809SS**SBendtrans-115.322-176.5-98.2-173.4-180-1790117.9
157R24.2Very low27.3Very low255 Ų255146.2 Ų146.296%0.96283%0.827SS**SBendtrans-138.788.6172.5-144.7169.4-171.4-176.10.6112
158G24Very low26.9Very low82 Ų82142.7 Ų142.785%0.84583%0.827SS**  trans162.237.1173.300000116
159S23.6Very low26.3Very low115 Ų115145.9 Ų145.980%0.80483%0.831SS**  trans-120.674.7164.1-164.80000108.9
160L24.8Very low26.1Very low169 Ų169143.2 Ų143.289%0.88583%0.834SS**  trans-136.871.6166-77.6173.3000107.6
161T27.9Very low25.9Very low129 Ų129148.7 Ų148.779%0.79184%0.84SS**  trans-130.778.4160.3560000107.9V163T161-V163 PolarHBondContact O-N 2.75Å; T161-V163 VanDerWaalsContact O-N 3.14Å
162N22.5Very low25.7Very low167 Ų167149.9 Ų149.989%0.89384%0.836SS**  trans-68.995.9160.6-96.3-15000107.5
163V29.1Very low25.4Very low124 Ų124154.9 Ų154.975%0.75285%0.846SS**  trans-124.9109.9159178.90000107.5T161 Q165T161-V163 PolarHBondContact O-N 2.75Å; T161-V163 VanDerWaalsContact O-N 3.14Å; V163-Q165 PolarHBondContact O-N 3.31Å
164S24.6Very low25.2Very low117 Ų117154.7 Ų154.782%0.81885%0.85SS**  trans-52.3118.2177.4-490000111.6
165Q28.8Very low25.2Very low191 Ų191150.3 Ų150.389%0.89384%0.839SS**  trans-125116.4156.4-76.9-168.6-8.600109.8V163V163-Q165 PolarHBondContact O-N 3.31Å
166R25.1Very low25.2Very low235 Ų235150.1 Ų150.189%0.88784%0.838SS**  trans-68.3141.5179.8-77.1171.1163.8175.1-4.7110.9
167K23.3Very low25Very low206 Ų206148.1 Ų148.190%0.89684%0.837SS**  trans51.9104141.5-69.5-175.5173.7-175.90117.6
168G26.9Very low25.1Very low81 Ų81143.2 Ų143.284%0.83583%0.829SS**  trans-148.393151.800000108.5
169T23.2Very low25.1Very low149 Ų149143.9 Ų143.991%0.91482%0.821SS**  trans-66.9127.8174.941.70000110.6
170G27.5Very low25.2Very low73 Ų73144 Ų14475%0.75382%0.817SS**  trans-156.7103.6169.300000110.2
171H23.6Very low25.3Very low187 Ų187142 Ų14287%0.86681%0.814SS**  trans-46.4155164.2-54.1-54.7000110.8
172S24.8Very low25.1Very low98 Ų98142.9 Ų142.969%0.68581%0.809SS**  cis-174.1142.537.245.30000108.5
173Q23.6Very low25.5Very low182 Ų182144 Ų14485%0.8581%0.809SS**  trans47.7117.7134.3-54.1-179.625.200118.8
174S23.6Very low25.2Very low123 Ų123144.6 Ų144.686%0.8681%0.808SS**  168.9157.210149.10000112.3
175A25.5Very low25.6Very low80 Ų80144.8 Ų144.866%0.66181%0.809SS**  trans93.581.1159.900000118.6
176H26.7Very low25.3Very low178 Ų178144.1 Ų144.182%0.82481%0.806SS**  54.787.5120.8-64.6-69.1000118.2
177N22.6Very low25.5Very low169 Ų169141 Ų14190%0.90481%0.806SS**  trans-90.2118.7151.7-78.5-33.3000109.3
178L25.5Very low25.5Very low153 Ų153138.3 Ų138.380%0.80180%0.801SS**  trans-109.4101.9164.5-91.9155.2000108.2
179S25.4Very low25.5Very low96 Ų96143.5 Ų143.567%0.67180%0.801SS**  trans51.2107.5130.5-460000120.1
180T24Very low25.6Very low116 Ų116141.7 Ų141.771%0.71280%0.795SS**  trans-33.6150.3144.345.20000116.1
181P28.5Very low25.7Very low129 Ų129145.5 Ų145.584%0.83880%0.797SS**  trans-122.3118.9133.219.4-0.8000111.2
182H23.2Very low25.5Very low147 Ų147144.3 Ų144.368%0.68179%0.791SS**  trans-59.9146.4158.9-82.7-101.1000110.9
183Q29.7Very low25.6Very low191 Ų191149.7 Ų149.789%0.89380%0.796SS**  -164.2117.2127.2-110.4170.931.800111.1
184D24Very low25.7Very low136 Ų136149.6 Ų149.673%0.72780%0.796SS**  trans-66.5147.6167.7-59.5-61.4000111
185S31.6Very low26.5Very low121 Ų121149.4 Ų149.485%0.84679%0.792SS**  trans-157.4102.1151.51.10000109.5
186E23.6Very low26.6Very low177 Ų177150.6 Ų150.683%0.82780%0.796SS**  trans-61.1135.7167.1-57.8175.714000110.7
187L29.6Very low26.6Very low170 Ų170147 Ų14789%0.8980%0.797SS**  trans-144.195.5152.2-89171.3000108.5
188N23.1Very low26.7Very low148 Ų148144.6 Ų144.679%0.79179%0.788SS**  trans-66.4124.1166.2-83.7-33.7000109.7
189F27.1Very low26.6Very low190 Ų190145.1 Ų145.183%0.83379%0.788SS**  trans-132.9105.5159.2-118.6-87000109.4
190S23.6Very low26.5Very low111 Ų111147.3 Ų147.378%0.77679%0.793SS**  trans-87.4119174.1-8.40000108.9
191I29.4Very low26.4Very low154 Ų154151.9 Ų151.979%0.7980%0.799SS**  trans-140.8124.5157.3-62.3-175.2000108.7
192E21.4Very low26.2Very low162 Ų162151 Ų15176%0.75780%0.795SS**  trans-71.6166.6179.2-63.1-179.9137.600114.3
193R26.4Very low26.2Very low210 Ų210152 Ų15279%0.79280%0.804SS**  trans89.995.9153.7-74.2173.1-169.9-113.21.5120.2
194Q24.9Very low25.9Very low180 Ų180154.3 Ų154.384%0.84181%0.805SS**  75153.6120.7-81.2-166.6-9.800120.9
195P40.6Very low26Very low119 Ų119152.8 Ų152.877%0.77381%0.805SS**  -107.5142.8-13038.2-32.1000114.3
196S27.3Very low25.7Very low106 Ų106153.7 Ų153.774%0.74181%0.806SS**  trans-139.792.7159.450.70000107.8T198S196-T198 PolarHBondContact O-N 3.18Å
197A26.8Very low25.8Very low103 Ų103151.7 Ų151.785%0.85180%0.801SS**  trans-74.576.5178.300000110.5
198T24Very low25.6Very low118 Ų118152.8 Ų152.872%0.72480%0.801SS**  trans-91.395.4158.228.50000107.9S196 N200S196-T198 PolarHBondContact O-N 3.18Å; T198-N200 VanDerWaalsContact C-N 3.35Å; T198-N200 PolarHBondContact O-N 3.34Å
199M23.9Very low25.7Very low163 Ų163149.4 Ų149.480%0.80379%0.794SS**  trans-67.590.2173.1-82.7-81.1-158.800109.6Y201M199-Y201 PolarHBondContact O-N 3.09Å
200N23.7Very low25.7Very low143 Ų143145 Ų14577%0.76579%0.792SS**  trans-79.6107.3165.7-89.6-16.4000109.2T198 S202T198-N200 VanDerWaalsContact C-N 3.35Å; T198-N200 PolarHBondContact O-N 3.34Å; N200-S202 PolarHBondContact O-N 2.85Å
201Y22.6Very low25.8Very low212 Ų212144.7 Ų144.783%0.83179%0.79SS**  trans-62.399173.5-70-89.1000110.7M199M199-Y201 PolarHBondContact O-N 3.09Å
202S24Very low25.5Very low109 Ų109145 Ų14576%0.76279%0.792SS**  trans-98.991.7170.2-54.80000108.8N200 R204N200-S202 PolarHBondContact O-N 2.85Å; S202-R204 PolarHBondContact O-N 3.3Å
203L24Very low25.6Very low168 Ų168142.5 Ų142.588%0.8879%0.79SS**  trans-62.295.7172.5-74.4156.4000110.2
204R22.8Very low25.4Very low240 Ų240138.3 Ų138.391%0.90679%0.791SS**  trans-122.6122.7163.9-80.8-168.2177.6-160.21.2111.2S202S202-R204 PolarHBondContact O-N 3.3Å
205S25.8Very low25.3Very low105 Ų105132.6 Ų132.673%0.73477%0.768SS**  trans78.973.5159.8-1480000118.1N207S205-N207 VanDerWaalsContact C-N 3.33Å; S205-N207 PolarHBondContact O-N 3.42Å
206V25.2Very low24.5Very low140 Ų140131.8 Ų131.885%0.84876%0.763SS**  trans-91.771.1154.1-175.30000107.8
207N25.2Very low24.4Very low135 Ų135135.9 Ų135.972%0.72277%0.767SS**  trans-130.378.3172.2-88.7-12.6000108.2S205S205-N207 VanDerWaalsContact C-N 3.33Å; S205-N207 PolarHBondContact O-N 3.42Å
208Q25.7Very low24.3Very low192 Ų192136.8 Ų136.890%0.89775%0.753SS**  trans169.380153.6-94.416340.600107.9A210Q208-A210 VanDerWaalsContact C-N 3.34Å; Q208-A210 PolarHBondContact O-N 3.08Å; Q208-A210 VanDerWaalsContact O-N 3.09Å
209A26.2Very low24.2Very low78 Ų78138.9 Ų138.965%0.64576%0.757SS**  trans-7593.3165.200000107.4S211A209-S211 PolarHBondContact O-N 2.61Å; A209-S211 VanDerWaalsContact O-N 3.16Å
210A25.6Very low24.3Very low96 Ų96133.6 Ų133.679%0.79374%0.736SS**  trans-60116.4171.900000108.9Q208Q208-A210 VanDerWaalsContact C-N 3.34Å; Q208-A210 PolarHBondContact O-N 3.08Å; Q208-A210 VanDerWaalsContact O-N 3.09Å
211S26.3Very low25Very low105 Ų105131.8 Ų131.873%0.73474%0.741SS**  trans-54.5136.5162.848.50000109.3A209A209-S211 PolarHBondContact O-N 2.61Å; A209-S211 VanDerWaalsContact O-N 3.16Å
212L23.7Very low25.3Very low160 Ų160128.2 Ų128.284%0.83874%0.737SS**  trans-45131.3169.6-72.3160.5000109.4
213P22.4Very low25.4Very low110 Ų110126.6 Ų126.671%0.71474%0.737SS**PPolyproline II helixtrans-61.1143.9-175.722.9-30.9000110.7T215P213-T215 PolarHBondContact O-N 2.9Å
214P23.2Very low25.5Very low123 Ų123122.6 Ų122.680%0.79972%0.72SS**PPolyproline II helixtrans-65127.5-169.923.6-31.8000111.9
215T23.4Very low25.8Very low59 Ų59116 Ų11636%0.36270%0.702SS.*PPolyproline II helixtrans-58.8136.9167.132.60000110.3P213 K217P213-T215 PolarHBondContact O-N 2.9Å; T215-K217 PolarHBondContact O-N 3.39Å
216P23.1Very low25.8Very low103 Ų103114.9 Ų114.967%0.66969%0.687SS**PPolyproline II helixtrans-63.7122.1-176-7.816.9000111.1H218P216-H218 PolarHBondContact O-N 3.48Å
217K25Very low26Very low191 Ų191111.5 Ų111.583%0.8367%0.67SS**PPolyproline II helixtrans-69.1117174.2-60.8178.6-179.8-1770108.7T215T215-K217 PolarHBondContact O-N 3.39Å
218H24.5Very low26.1Very low122 Ų122107.7 Ų107.757%0.56565%0.651SS**  trans-111.7112.4168.2-137.1-66.6000109P216 S220P216-H218 PolarHBondContact O-N 3.48Å; H218-S220 PolarHBondContact O-N 3.02Å
219M21.7Very low26.2Very low162 Ų162100.2 Ų100.280%0.79862%0.619SS**  trans-64.3126.9175-63.2-179.973.200109.3
220S27Very low26.2Very low52 Ų52105.1 Ų105.136%0.36462%0.622SS.*  trans-88.5145.8160177.30000108.6H218 N222 G223 T224H218-S220 PolarHBondContact O-N 3.02Å; S220-N222 PolarHBondContact O-N 2.96Å; S220-N222 VanDerWaalsContact O-N 3.11Å; S220-G223 PolarHBondContact O-N 3.48Å; S220-T224 WeakPolarHBondContact CB-O 3.47Å
221A37.3Very low26.3Very low106 Ų106104.2 Ų104.288%0.87661%0.607SS**THydrogen-bonded Turntrans-60.2-19178.700000113.3
222N29.7Very low26.1Very low137 Ų137103.4 Ų103.473%0.73359%0.594SS**THydrogen-bonded Turntrans-11264.3170.6-75.6-4.2000111S220 T224S220-N222 PolarHBondContact O-N 2.96Å; S220-N222 VanDerWaalsContact O-N 3.11Å; N222-T224 PolarHBondContact O-N 3.23Å; N222-T224 PolarHBondContact O-OG1 3.48Å
223G26Very low26.1Very low74 Ų74106.7 Ų106.776%0.76360%0.595SS**SBendtrans55.11.3154.700000119.7S220S220-G223 PolarHBondContact O-N 3.48Å
224T25.5Very low26.2Very low85 Ų85106.8 Ų106.852%0.52159%0.594SS.*  trans-114.3114.2-171.245.20000109S220 N222S220-T224 WeakPolarHBondContact CB-O 3.47Å; N222-T224 PolarHBondContact O-N 3.23Å; N222-T224 PolarHBondContact O-OG1 3.48Å
225N30.2Very low26.2Very low100 Ų100106.5 Ų106.554%0.53559%0.592SS.*  trans-85.7117-176.9-73.8-42.7000110.1S227N225-S227 PolarHBondContact O-N 2.8Å
226I25.9Very low26.2Very low83 Ų83108.6 Ų108.643%0.42661%0.609SS.*  trans-79.2116.1175.4-61.3168.6000108.3T228I226-T228 PolarHBondContact O-N 2.92Å
227S28.4Very low26.4Very low69 Ų69109.9 Ų109.948%0.48362%0.617SS.*  trans-62.8113.9167.3-178.10000108.9N225N225-S227 PolarHBondContact O-N 2.8Å
228T27.1Very low26.5Very low55 Ų55106 Ų10634%0.33761%0.614SS.*  trans-73125.5172.143.90000108.8I226I226-T228 PolarHBondContact O-N 2.92Å
229P27.6Very low26.6Very low34 Ų34112.7 Ų112.722%0.22163%0.634CS.*  trans-68.4146.6-178.926.5-31000110.6V231P229-V231 PolarHBondContact O-N 3.31Å; P229-V231 VanDerWaalsContact O-N 3.09Å
230Y26.9Very low26.9Very low181 Ų181107.4 Ų107.471%0.7162%0.621SS**  trans-64107.5167.8-177.8-98.7000108.7L232Y230-L232 HydrophobicContact CD1-CG 4.28Å; Y230-L232 HydrophobicContact CE1-CD2 3.58Å; Y230-L232 HydrophobicContact CE1-CG 3.71Å
231V26.8Very low26.8Very low78 Ų78110.9 Ų110.947%0.47365%0.646SS.*  trans-90.7110172.2-177.90000107P229 R233P229-V231 PolarHBondContact O-N 3.31Å; P229-V231 VanDerWaalsContact O-N 3.09Å; V231-R233 PolarHBondContact O-N 3.35Å
232L23.7Very low26.3Very low87 Ų87110.6 Ų110.646%0.45564%0.635SS.*  trans-58.9106.6160.7-79.9168.8000106.7Y230 V234Y230-L232 HydrophobicContact CD1-CG 4.28Å; Y230-L232 HydrophobicContact CE1-CD2 3.58Å; Y230-L232 HydrophobicContact CE1-CG 3.71Å; L232-V234 VanDerWaalsContact C-N 3.33Å; L232-V234 PolarHBondContact O-N 2.85Å
233R23.2Very low26Very low230 Ų230112.4 Ų112.487%0.86864%0.639SS**  trans-73.390.5-179.8-143.7-176.9-163.2-1724.2107.6V231V231-R233 PolarHBondContact O-N 3.35Å
234V24.4Very low26Very low112 Ų112120.4 Ų120.468%0.67965%0.646SS**PPolyproline II helixtrans-62.3131.7165.2-173.90000106.6L232 S236L232-V234 VanDerWaalsContact C-N 3.33Å; L232-V234 PolarHBondContact O-N 2.85Å; V234-S236 PolarHBondContact O-N 3.4Å
235P22.7Very low25.9Very low117 Ų117124.7 Ų124.776%0.7666%0.66SS**PPolyproline II helixtrans-55.6119.2-177.8-21.630.9000109.9
236S24.2Very low25.7Very low103 Ų103128.3 Ų128.372%0.7268%0.68SS**PPolyproline II helixtrans-60.2132.9171.8-55.20000108.4V234 S238V234-S236 PolarHBondContact O-N 3.4Å; S236-S238 PolarHBondContact O-N 3.38Å; S236-S238 VanDerWaalsContact O-N 3.11Å
237P26.5Very low25.6Very low129 Ų129127.4 Ų127.484%0.83869%0.691SS**PPolyproline II helixtrans-57.7122.6179.3-1828.8000108.6R239P237-R239 PolarHBondContact O-N 2.62Å
238S27.5Very low25.5Very low111 Ų111132.7 Ų132.778%0.77671%0.712SS**PPolyproline II helixtrans-54.7134.6177.450.60000110S236 G240S236-S238 PolarHBondContact O-N 3.38Å; S236-S238 VanDerWaalsContact O-N 3.11Å; S238-G240 PolarHBondContact O-N 2.91Å
239R26.9Very low25.4Very low261 Ų261133.9 Ų133.999%0.98574%0.735SS**SBendtrans-63.291.6-174.9-161.5-175.9-163.6-167.24.2110.7P237P237-R239 PolarHBondContact O-N 2.62Å
240G28Very low25.2Very low51 Ų51135 Ų13553%0.52675%0.752SS.*SBendtrans176.6100.917300000107.7S238 P242S238-G240 PolarHBondContact O-N 2.91Å; G240-P242 WeakPolarHBondContact O-CD 3.42Å; G240-P242 WeakPolarHBondContact O-CG 3.28Å
241S24.9Very low25.3Very low126 Ų126130.9 Ų130.988%0.88176%0.756SS**  trans-48.5106.2-179.2-500000110.9Q243S241-Q243 PolarHBondContact O-N 3.4Å
242P25.8Very low25.4Very low99 Ų99135.2 Ų135.264%0.64377%0.77SS**  trans-86.2113166.13.419000105.4G240 W244G240-P242 WeakPolarHBondContact O-CD 3.42Å; G240-P242 WeakPolarHBondContact O-CG 3.28Å; P242-W244 PolarHBondContact O-N 2.96Å; P242-W244 VanDerWaalsContact O-N 3.1Å
243Q23.2Very low25.6Very low176 Ų176134.2 Ų134.282%0.82278%0.775SS**  trans-48.6113.8161.7-174170-13.200107.4S241 E245S241-Q243 PolarHBondContact O-N 3.4Å; Q243-E245 PolarHBondContact O-N 3.09Å
244W26.9Very low26Very low242 Ų242128.8 Ų128.892%0.91777%0.767SS**  trans-71.594.8-177.7-65.565.2000107P242P242-W244 PolarHBondContact O-N 2.96Å; P242-W244 VanDerWaalsContact O-N 3.1Å
245E23Very low26Very low174 Ų174132.9 Ų132.981%0.81378%0.779SS**  trans-77.7120.7157.3-79.9-175.5158.500107.2Q243 G247Q243-E245 PolarHBondContact O-N 3.09Å; E245-G247 PolarHBondContact O-N 2.91Å
246D27.1Very low26.3Very low177 Ų177129.8 Ų129.895%0.94777%0.768SS**  trans-54.1103.6175.7-76.2-45.6000110.2
247G23Very low26.4Very low63 Ų63134.3 Ų134.365%0.64978%0.775SS**  trans-16273.6-171.600000113E245E245-G247 PolarHBondContact O-N 2.91Å
248I26.1Very low26.5Very low181 Ų181133.6 Ų133.693%0.92877%0.77SS**  trans50.984.9146.1-46177.8000115.5
249G24.3Very low27Very low80 Ų80131.1 Ų131.183%0.82574%0.744SS**  trans-145.752.6163.300000109.8A251G249-A251 PolarHBondContact O-N 3.32Å
250G24.6Very low27.2Very low56 Ų56125.2 Ų125.258%0.57773%0.731SS**  trans-70.197.3-174.300000112H252G250-H252 VanDerWaalsContact C-N 3.35Å; G250-H252 PolarHBondContact O-N 3.47Å
251A28.9Very low27.4Very low95 Ų95124.8 Ų124.879%0.78572%0.722SS**  trans-63.3108.7139.400000105.1G249 A253G249-A251 PolarHBondContact O-N 3.32Å; A251-A253 PolarHBondContact O-N 2.84Å
252H28.6Very low27.7Very low169 Ų169126.7 Ų126.778%0.78272%0.722SS**  trans-62.673.7-178.5-73.1-85.1000110.7G250 V254G250-H252 VanDerWaalsContact C-N 3.35Å; G250-H252 PolarHBondContact O-N 3.47Å; H252-V254 PolarHBondContact O-N 3.08Å
253A28.5Very low27.9Very low67 Ų67125.6 Ų125.655%0.55472%0.721SS**  trans-70.5113.3158.500000105.4A251 Q255A251-A253 PolarHBondContact O-N 2.84Å; A253-Q255 PolarHBondContact O-N 3.09Å
254V30.9Very low28.1Very low116 Ų116126.6 Ų126.670%0.70372%0.724SS**  trans-41.2117.3168.1175.90000107.3H252 G256H252-V254 PolarHBondContact O-N 3.08Å; V254-G256 PolarHBondContact O-N 2.81Å
255Q25.5Very low28.2Very low198 Ų198119.8 Ų119.893%0.92572%0.718SS**  trans-74.258.3176-153.7174.420.500107.9A253A253-Q255 PolarHBondContact O-N 3.09Å
256G27.6Very low28.5Very low51 Ų51121 Ų12153%0.52672%0.724SS.*PPolyproline II helixtrans-64.6134.516500000107.1V254V254-G256 PolarHBondContact O-N 2.81Å
257K27.6Very low28.5Very low199 Ų199116.3 Ų116.387%0.86571%0.705SS**PPolyproline II helixtrans-46.6131.6173.8-74177.2177.1175.80108.3Y259K257-Y259 PolarHBondContact O-N 2.9Å
258P28.1Very low28.9Very low114 Ų114122.9 Ų122.974%0.7472%0.719SS**PPolyproline II helixtrans-56.1117179.320.8-30.3000108.6I260P258-I260 PolarHBondContact O-N 3.13Å; P258-I260 VanDerWaalsContact O-N 3.15Å
259Y37Very low29.1Very low58 Ų58118.7 Ų118.723%0.22770%0.702CS.*  trans-62.1112.1173.1-178.7-92.9000108.2I103 L105 K257 A261 D275I103-Y259 HydrophobicContact CB-CD1 4.25Å; I103-Y259 HydrophobicContact CB-CG 4.44Å; I103-Y259 HydrophobicContact CG2-CD1 4.14Å; I103-Y259 HydrophobicContact CG2-CD2 4.39Å; I103-Y259 HydrophobicContact CG2-CG 3.95Å; L105-Y259 HydrophobicContact CD2-CD1 4.44Å; L105-Y259 HydrophobicContact CD2-CE1 4.22Å; K257-Y259 PolarHBondContact O-N 2.9Å; Y259-A261 HydrophobicContact CD1-CB 4.43Å; Y259-A261 HydrophobicContact CE1-CB 3.85Å; Y259-D275 WeakPolarHBondContact CE2-OD2 3.35Å; Y259-D275 PolarHBondContact OH-OD2 3.24Å
260I31.6Very low29.6Very low138 Ų138121.6 Ų121.671%0.70870%0.704SS**  trans-99.4103171.5-58.3179.5000105.7P258 N262P258-I260 PolarHBondContact O-N 3.13Å; P258-I260 VanDerWaalsContact O-N 3.15Å; I260-N262 PolarHBondContact O-N 3.25Å
261A32.7Very low30.3Very low42 Ų42123.8 Ų123.835%0.34771%0.706SS.*  trans-60119.8168.300000108L105 Y259 A263L105-A261 HydrophobicContact CD2-CB 3.79Å; Y259-A261 HydrophobicContact CD1-CB 4.43Å; Y259-A261 HydrophobicContact CE1-CB 3.85Å; A261-A263 VanDerWaalsContact C-N 3.33Å; A261-A263 PolarHBondContact O-N 2.89Å
262N31.5Very low31.3Very low166 Ų166124.4 Ų124.489%0.88869%0.693SS**  trans-64.596.9171.2-79.4-25.2000108.2I260I260-N262 PolarHBondContact O-N 3.25Å
263A29.3Very low32.9Very low75 Ų75123.7 Ų123.762%0.6270%0.695SS**  trans-74.1134.1172.700000109.4A261A261-A263 VanDerWaalsContact C-N 3.33Å; A261-A263 PolarHBondContact O-N 2.89Å
264F27.3Very low35.1Very low198 Ų198122.5 Ų122.587%0.86868%0.678SS**  trans6985.2168.3-59.2-84.7000117.1
265A29.8Very low37.3Very low98 Ų98119.9 Ų119.981%0.8166%0.659SS**  trans-129.697.6147.400000108.4S267A265-S267 PolarHBondContact O-N 2.9Å
266E28.8Very low39.8Very low201 Ų201116.9 Ų116.994%0.93965%0.646SS**  trans-6895.2164.4-74.8179.1162.400107.9
267S27.3Very low42.5Very low78 Ų78116.5 Ų116.555%0.54564%0.635SS.*  trans-138.6111.1164.2-178.80000108.1A265 T269A265-S267 PolarHBondContact O-N 2.9Å; S267-T269 PolarHBondContact O-N 2.88Å; S267-T269 PolarHBondContact OG-OG1 2.77Å
268E31.6Very low45.4Very low200 Ų200107.1 Ų107.194%0.93559%0.594SS**  trans-6931.7176.8-73.5-175.2142.600113.7
269T29.1Very low48.2Very low93 Ų93102.8 Ų102.857%0.57156%0.564SS**  trans-97.399.1172.251.70000108.4S267 T271S267-T269 PolarHBondContact O-N 2.88Å; S267-T269 PolarHBondContact OG-OG1 2.77Å; T269-T271 PolarHBondContact O-N 2.79Å
270T36.1Very low50.6Low141 Ų141100.9 Ų100.987%0.86556%0.558SS**  trans-63.538.9-179.445.30000115.2E272T270-E272 PolarHBondContact O-N 2.92Å
271T38Very low53.2Low103 Ų10395 Ų9563%0.63253%0.53SS*.  trans-82.399.9157.24.80000106T269 N273T269-T271 PolarHBondContact O-N 2.79Å; T271-N273 PolarHBondContact O-N 2.91Å
272E50.8Low55.5Low107 Ų10796 Ų9650%0.553%0.532SS..  trans-57.586.9176.2-64179.6157.400109.3T270 F274T270-E272 PolarHBondContact O-N 2.92Å; E272-F274 HydrophobicContact CB-CD2 3.91Å; E272-F274 HydrophobicContact CB-CE2 3.44Å; E272-F274 VanDerWaalsContact CB-CE2 3.44Å; E272-F274 HydrophobicContact CB-CZ 3.86Å; E272-F274 HydrophobicContact CG-CE2 4.28Å; E272-F274 HydrophobicContact CG-CZ 4.35Å; E272-F274 WeakPolarHBondContact O-CD2 3.5Å; E272-F274 PolarHBondContact O-N 3.02Å; E272-F274 WeakPolarHBondContact OE2-CE2 3.4Å; E272-F274 VanDerWaalsContact OE2-CZ 3.27Å; E272-F274 WeakPolarHBondContact OE2-CZ 3.44Å
273N61.8Low57.5Low155 Ų15590.9 Ų90.983%0.82951%0.509SS*.  trans-7475.1174.5-76.9-16.3000108.2T271T271-N273 PolarHBondContact O-N 2.91Å
274F73.8Confident59.3Low42 Ų4289.1 Ų89.118%0.18449%0.491CS..  trans-62.5142.8169.9-65.9-73.6000109.9E272 Q276 I279 P345 V346E272-F274 HydrophobicContact CB-CD2 3.91Å; E272-F274 HydrophobicContact CB-CE2 3.44Å; E272-F274 VanDerWaalsContact CB-CE2 3.44Å; E272-F274 HydrophobicContact CB-CZ 3.86Å; E272-F274 HydrophobicContact CG-CE2 4.28Å; E272-F274 HydrophobicContact CG-CZ 4.35Å; E272-F274 WeakPolarHBondContact O-CD2 3.5Å; E272-F274 PolarHBondContact O-N 3.02Å; E272-F274 WeakPolarHBondContact OE2-CE2 3.4Å; E272-F274 VanDerWaalsContact OE2-CZ 3.27Å; E272-F274 WeakPolarHBondContact OE2-CZ 3.44Å; F274-Q276 PolarHBondContact O-N 3.35Å; F274-I279 HydrophobicContact CB-CD1 3.79Å; F274-I279 HydrophobicContact CB-CG1 4.11Å; F274-P345 HydrophobicContact CD1-CG 4.19Å; F274-P345 HydrophobicContact CD2-CG 3.61Å; F274-P345 HydrophobicContact CE1-CG 4.26Å; F274-P345 HydrophobicContact CE2-CG 3.68Å; F274-P345 HydrophobicContact CG-CG 3.87Å; F274-P345 HydrophobicContact CZ-CG 4.02Å; F274-V346 HydrophobicContact CB-CG2 4.26Å; F274-V346 HydrophobicContact CD1-CG2 3.96Å; F274-V346 HydrophobicContact CG-CG2 4.43Å
275D77.3Confident60.6Low60 Ų6085.9 Ų85.932%0.32148%0.482SS..  trans-69.5117.1174.2-162.5-38.8000110.4Y259 S277 L278 I279Y259-D275 WeakPolarHBondContact CE2-OD2 3.35Å; Y259-D275 PolarHBondContact OH-OD2 3.24Å; D275-S277 PolarHBondContact O-N 2.82Å; D275-S277 VanDerWaalsContact O-N 3.15Å; D275-S277 WeakPolarHBondContact OD1-CB 3.41Å; D275-S277 PolarHBondContact OD1-N 3.01Å; D275-S277 PolarHBondContact OD1-OG 2.9Å; D275-S277 VanDerWaalsContact OD1-OG 3.13Å; D275-L278 HydrophobicContact CB-CB 4.4Å; D275-L278 HydrophobicContact CB-CD1 4.1Å; D275-L278 HydrophobicContact CB-CG 4.08Å; D275-L278 PolarHBondContact O-N 2.86Å; D275-I279 WeakPolarHBondContact O-CG1 3.41Å; D275-I279 PolarHBondContact O-N 2.88Å
276Q79.2Confident62.1Low136 Ų13683 Ų8364%0.63646%0.456SS*.Hα-helixtrans-56.2-29.5178.9-69.1-66.7-22.200112.6F274 L278 N280F274-Q276 PolarHBondContact O-N 3.35Å; Q276-L278 PolarHBondContact O-N 3.31Å; Q276-N280 PolarHBondContact O-N 3.14Å
277S83.4Confident63.8Low43 Ų4376.2 Ų76.230%0.30143%0.429SS..Hα-helixtrans-72.5-16.117781.90000113.7Q101 D275 N280Q101-S277 PolarHBondContact NE2-O 3.44Å; D275-S277 PolarHBondContact O-N 2.82Å; D275-S277 VanDerWaalsContact O-N 3.15Å; D275-S277 WeakPolarHBondContact OD1-CB 3.41Å; D275-S277 PolarHBondContact OD1-N 3.01Å; D275-S277 PolarHBondContact OD1-OG 2.9Å; D275-S277 VanDerWaalsContact OD1-OG 3.13Å; S277-N280 VanDerWaalsContact O-O 3.07Å
278L88.2Confident65.8Low2 Ų278.3 Ų78.31%0.0143%0.434CS..Hα-helixtrans-100.8-23.8178.4-61.4-178.1000112.3L97 L124 D275 Q276 N280 V346 N349L97-L278 HydrophobicContact CD1-CD2 3.55Å; L124-L278 HydrophobicContact CD2-CD1 3.74Å; D275-L278 HydrophobicContact CB-CB 4.4Å; D275-L278 HydrophobicContact CB-CD1 4.1Å; D275-L278 HydrophobicContact CB-CG 4.08Å; D275-L278 PolarHBondContact O-N 2.86Å; Q276-L278 PolarHBondContact O-N 3.31Å; L278-N280 VanDerWaalsContact C-N 3.32Å; L278-V346 HydrophobicContact CB-CB 4.49Å; L278-V346 HydrophobicContact CB-CG1 3.77Å; L278-V346 HydrophobicContact CB-CG2 3.96Å; L278-N349 PolarHBondContact O-ND2 2.79Å
279I86.9Confident67.6Low22 Ų2270.3 Ų70.311%0.11340%0.399CS..Hα-helixtrans-66.1-38.6171.4-62.4176.8000110.4F274 D275 P345 V346 N349 K613F274-I279 HydrophobicContact CB-CD1 3.79Å; F274-I279 HydrophobicContact CB-CG1 4.11Å; D275-I279 WeakPolarHBondContact O-CG1 3.41Å; D275-I279 PolarHBondContact O-N 2.88Å; I279-P345 HydrophobicContact CD1-CB 4.47Å; I279-P345 HydrophobicContact CG1-CB 4.17Å; I279-P345 HydrophobicContact CG2-CB 4.22Å; I279-V346 HydrophobicContact CG1-CG2 4Å; I279-N349 WeakPolarHBondContact O-CB 3.03Å; I279-N349 PolarHBondContact O-ND2 2.88Å; I279-N349 PolarHBondContact O-OD1 3.37Å; I279-K613 PolarHBondContact O-NZ 3.06Å
280N87.6Confident69.6Low18 Ų1866.5 Ų66.510%0.09638%0.375CS..SBendtrans-129.8121.8179.7-63.7-50.1000110.4Q276 S277 L278 Y385 M609 K613Q276-N280 PolarHBondContact O-N 3.14Å; S277-N280 VanDerWaalsContact O-O 3.07Å; L278-N280 VanDerWaalsContact C-N 3.32Å; N280-Y385 HydrophobicContact CB-CD2 3.62Å; N280-Y385 HydrophobicContact CB-CE2 3.39Å; N280-M609 WeakPolarHBondContact OD1-CE 3.11Å; N280-M609 PolarHBondContact OD1-SD 3.48Å; N280-K613 PolarHBondContact OD1-NZ 3.44Å
281S87.8Confident71.3Confident16 Ų1665 Ų6511%0.11236%0.362CS..PPolyproline II helixtrans-72.9141.6-179.3-48.30000111.2D99 N349 E353D99-S281 WeakPolarHBondContact CB-OG 3.38Å; S281-N349 PolarHBondContact N-ND2 3.13Å; S281-N349 PolarHBondContact OG-ND2 3.12Å; S281-N349 PolarHBondContact OG-OD1 3.37Å; S281-E353 WeakPolarHBondContact CB-OE1 3.23Å; S281-E353 VanDerWaalsContact OG-CG 3.22Å; S281-E353 WeakPolarHBondContact OG-CG 3.45Å; S281-E353 PolarHBondContact OG-OE1 3.33Å
282P80.3Confident73.1Confident61 Ų6163.5 Ų63.540%0.39636%0.356SS..PPolyproline II helixtrans-65.8152169.329.2-34000110.7Q101 V284Q101-P282 VanDerWaalsContact CD-CD 3.45Å; Q101-P282 HydrophobicContact CG-CG 3.9Å; Q101-P282 VanDerWaalsContact NE2-CD 3.29Å; P282-V284 PolarHBondContact O-N 3.22Å
283S72.4Confident74.6Confident59 Ų5960.8 Ų60.841%0.41334%0.344SS..PPolyproline II helixtrans-66.6128.5173-174.90000110.6L285S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 2.89Å; S283-L285 VanDerWaalsContact O-N 3.13Å; S283-L285 VanDerWaalsContact OG-CD2 3.29Å; S283-L285 WeakPolarHBondContact OG-CD2 3.42Å; S283-L285 WeakPolarHBondContact OG-CG 3.44Å
284V68Low75.8Confident39 Ų3955 Ų5524%0.23631%0.312CS..  trans-87.277.2178.1-1750000108.4L100 P282 S286 W357L100-V284 HydrophobicContact CD1-CG1 4.31Å; L100-V284 HydrophobicContact CD1-CG2 4.45Å; P282-V284 PolarHBondContact O-N 3.22Å; V284-S286 VanDerWaalsContact C-N 3.26Å; V284-S286 PolarHBondContact O-N 2.81Å; V284-S286 VanDerWaalsContact O-N 3.14Å; V284-W357 HydrophobicContact CB-CH2 4.17Å; V284-W357 HydrophobicContact CB-CZ2 4.49Å; V284-W357 HydrophobicContact CG1-CH2 4.38Å; V284-W357 HydrophobicContact CG2-CH2 4.16Å; V284-W357 HydrophobicContact CG2-CZ2 3.97Å
285L55.1Low76.5Confident129 Ų12955 Ų5568%0.67531%0.311SS*.  trans-78.215.5-168.8-68.7170.4000116.2S283 P287S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 2.89Å; S283-L285 VanDerWaalsContact O-N 3.13Å; S283-L285 VanDerWaalsContact OG-CD2 3.29Å; S283-L285 WeakPolarHBondContact OG-CD2 3.42Å; S283-L285 WeakPolarHBondContact OG-CG 3.44Å; L285-P287 WeakPolarHBondContact O-CD 3.23Å
286S61.5Low77.1Confident38 Ų3852.4 Ų52.427%0.26630%0.297SS..  trans-114.9104.6-179.263.90000111.5V284 D288 V289 L290V284-S286 VanDerWaalsContact C-N 3.26Å; V284-S286 PolarHBondContact O-N 2.81Å; V284-S286 VanDerWaalsContact O-N 3.14Å; S286-D288 PolarHBondContact O-N 3.12Å; S286-D288 VanDerWaalsContact O-N 3.08Å; S286-V289 PolarHBondContact O-N 3.38Å; S286-V289 WeakPolarHBondContact OG-CB 3.29Å; S286-V289 WeakPolarHBondContact OG-CG2 3.3Å; S286-L290 PolarHBondContact O-N 3.5Å
287P63.6Low77.6Confident58 Ų5854.5 Ų54.538%0.37730%0.304SS..Hα-helixtrans-52.2-29.7172.1-27.534000113L285 V289 L290 N291L285-P287 WeakPolarHBondContact O-CD 3.23Å; P287-V289 PolarHBondContact O-N 3.29Å; P287-L290 PolarHBondContact O-N 2.91Å; P287-N291 WeakPolarHBondContact O-CB 3.33Å; P287-N291 PolarHBondContact O-N 3.47Å; P287-N291 PolarHBondContact O-ND2 2.91Å; P287-N291 VanDerWaalsContact O-ND2 3.12Å
288D68.7Low78Confident123 Ų12355.8 Ų55.866%0.65831%0.31SS*.Hα-helixtrans-61.9-41.8177-65.1-28.4000112.6S286 N291 S292S286-D288 PolarHBondContact O-N 3.12Å; S286-D288 VanDerWaalsContact O-N 3.08Å; D288-N291 PolarHBondContact O-N 2.61Å; D288-S292 WeakPolarHBondContact O-CB 3.11Å; D288-S292 PolarHBondContact O-N 3.42Å
289V70.2Confident78.3Confident31 Ų3157.9 Ų57.919%0.18832%0.318CS..Hα-helixtrans-62.8-48.91741710000109S286 P287 N291 S292 L293S286-V289 PolarHBondContact O-N 3.38Å; S286-V289 WeakPolarHBondContact OG-CB 3.29Å; S286-V289 WeakPolarHBondContact OG-CG2 3.3Å; P287-V289 PolarHBondContact O-N 3.29Å; V289-N291 VanDerWaalsContact C-N 3.28Å; V289-N291 PolarHBondContact O-N 3.26Å; V289-S292 PolarHBondContact O-N 3.08Å; V289-S292 PolarHBondContact O-OG 3.2Å; V289-L293 WeakPolarHBondContact O-CG 3.29Å; V289-L293 PolarHBondContact O-N 3.44Å
290L71.1Confident78.6Confident13 Ų1358.5 Ų58.57%0.06833%0.326CS..Hα-helixtrans-60.7-36.1-179.7-172.965.4000113.2S286 P287 L293 W357 L361 E576S286-L290 PolarHBondContact O-N 3.5Å; P287-L290 PolarHBondContact O-N 2.91Å; L290-L293 HydrophobicContact CD1-CD1 4.44Å; L290-W357 HydrophobicContact CD1-CZ3 3.96Å; L290-L361 HydrophobicContact CD1-CD2 4.44Å; L290-E576 VanDerWaalsContact CD2-O 3.27Å; L290-E576 WeakPolarHBondContact CD2-O 3.41Å
291N71.6Confident78.8Confident110 Ų11059.5 Ų59.559%0.58833%0.33SS*.Hα-helixtrans-75.2-25.8177.4-74-33.4000112.7P287 D288 V289P287-N291 WeakPolarHBondContact O-CB 3.33Å; P287-N291 PolarHBondContact O-N 3.47Å; P287-N291 PolarHBondContact O-ND2 2.91Å; P287-N291 VanDerWaalsContact O-ND2 3.12Å; D288-N291 PolarHBondContact O-N 2.61Å; V289-N291 VanDerWaalsContact C-N 3.28Å; V289-N291 PolarHBondContact O-N 3.26Å
292S76.3Confident79.1Confident72 Ų7259.5 Ų59.550%0.50333%0.328SS..Hα-helixtrans-77.5-21.1175770000113.3P140 D288 V289P140-S292 VanDerWaalsContact CG-O 3.23Å; P140-S292 WeakPolarHBondContact CG-O 3.37Å; D288-S292 WeakPolarHBondContact O-CB 3.11Å; D288-S292 PolarHBondContact O-N 3.42Å; V289-S292 PolarHBondContact O-N 3.08Å; V289-S292 PolarHBondContact O-OG 3.2Å
293L82.3Confident79.9Confident49 Ų4956.6 Ų56.626%0.25731%0.31SS..SBendtrans-70.1141.9-177.8-67.2175000112.1L100 V289 L290 L361L100-L293 HydrophobicContact CD1-CD1 4.45Å; V289-L293 WeakPolarHBondContact O-CG 3.29Å; V289-L293 PolarHBondContact O-N 3.44Å; L290-L293 HydrophobicContact CD1-CD1 4.44Å; L293-L361 HydrophobicContact CB-CD1 4.26Å; L293-L361 HydrophobicContact CB-CD2 3.59Å; L293-L361 HydrophobicContact CD1-CD1 4.3Å; L293-L361 HydrophobicContact CD1-CD2 4.07Å; L293-L361 HydrophobicContact CG-CD2 4.49Å
294F86.1Confident80.8Confident34 Ų3454.5 Ų54.515%0.14930%0.295CS..  trans-68.7133.8-179.9178.8-112.4000111.5P140 W143 P296 Q301 I305P140-F294 HydrophobicContact CB-CB 4.07Å; P140-F294 HydrophobicContact CB-CD2 4.48Å; P140-F294 HydrophobicContact CG-CB 4.38Å; W143-F294 HydrophobicContact CB-CD1 4.14Å; W143-F294 HydrophobicContact CB-CD2 3.73Å; W143-F294 HydrophobicContact CB-CE1 3.75Å; W143-F294 HydrophobicContact CB-CE2 3.32Å; W143-F294 HydrophobicContact CB-CG 4.12Å; W143-F294 HydrophobicContact CB-CZ 3.32Å; W143-F294 AromaticContact CD1-CD1 3.69Å; W143-F294 AromaticContact CD1-CD2 3.85Å; W143-F294 AromaticContact CD1-CG 3.51Å; W143-F294 HydrophobicContact CG-CD1 4Å; W143-F294 HydrophobicContact CG-CD2 4.15Å; W143-F294 AromaticContact CG-CE1 3.98Å; W143-F294 HydrophobicContact CG-CE1 3.98Å; W143-F294 HydrophobicContact CG-CE2 4.16Å; W143-F294 HydrophobicContact CG-CG 4.07Å; W143-F294 HydrophobicContact CG-CZ 4.06Å; F294-P296 HydrophobicContact CE1-CB 4.01Å; F294-P296 HydrophobicContact CZ-CB 4.36Å; F294-Q301 HydrophobicContact CZ-CB 3.89Å; F294-Q301 HydrophobicContact CZ-CG 4.07Å; F294-I305 HydrophobicContact CD1-CG1 4.29Å; F294-I305 HydrophobicContact CE1-CD1 4.38Å; F294-I305 HydrophobicContact CE1-CG1 4.03Å
295R88.5Confident82Confident42 Ų4253.7 Ų53.716%0.15829%0.29CS..  trans-124.1105.1178.9-64.9172-178-96.3-2.9109.6L360 L361R295-L360 PolarHBondContact NH1-O 2.92Å; R295-L361 HydrophobicContact CG-CB 4.45Å; R295-L361 HydrophobicContact CG-CD2 4.08Å
296P90.5Very high83.8Confident5 Ų548 Ų483%0.03226%0.26CS..  trans-69.3135.2-178.431.2-37.1000111F294 Q301 K302 I305 E363F294-P296 HydrophobicContact CE1-CB 4.01Å; F294-P296 HydrophobicContact CZ-CB 4.36Å; P296-Q301 HydrophobicContact CB-CB 3.85Å; P296-K302 HydrophobicContact CB-CG 3.84Å; P296-K302 HydrophobicContact CG-CG 4.04Å; P296-I305 HydrophobicContact CB-CD1 4.24Å; P296-I305 HydrophobicContact CG-CD1 3.88Å; P296-E363 HydrophobicContact CG-CB 4.39Å; P296-E363 HydrophobicContact CG-CG 4.03Å
297K88.9Confident85.3Confident181 Ų18151 Ų5179%0.78727%0.27SS*.  trans-112.7-13.7178.5-61.5-176-178.9178.10113.8
298T92.7Very high86.7Confident69 Ų6948.3 Ų48.342%0.42325%0.252SS..SBendtrans-133.8158.5-177.868.60000109.9A300 Q301 K302T298-A300 PolarHBondContact O-N 3.3Å; T298-Q301 WeakPolarHBondContact O-CA 3.18Å; T298-Q301 WeakPolarHBondContact O-CB 3.37Å; T298-Q301 PolarHBondContact O-N 2.99Å; T298-Q301 PolarHBondContact OG1-N 3.14Å; T298-K302 PolarHBondContact O-N 3.2Å
299Y93.5Very high88Confident47 Ų4743.5 Ų43.518%0.18423%0.225CC..Hα-helixtrans-61-31.3174.7-71.9-71.7000113.1Q301 K302 A303 Y630 L643Y299-Q301 VanDerWaalsContact C-N 3.3Å; Y299-Q301 PolarHBondContact O-N 3.41Å; Y299-K302 HydrophobicContact CD1-CD 4.3Å; Y299-K302 PolarHBondContact O-N 3.21Å; Y299-A303 VanDerWaalsContact O-CB 3.26Å; Y299-A303 WeakPolarHBondContact O-CB 3.46Å; Y299-A303 PolarHBondContact O-N 3.17Å; Y299-Y630 HydrophobicContact CD1-CD1 4.11Å; Y299-Y630 AromaticContact CD1-CE1 3.9Å; Y299-Y630 HydrophobicContact CD1-CE1 3.9Å; Y299-Y630 HydrophobicContact CD1-CG 4.49Å; Y299-Y630 AromaticContact CE1-CE1 3.92Å; Y299-Y630 HydrophobicContact CE1-CE1 3.92Å; Y299-Y630 AromaticContact CE1-CZ 3.94Å; Y299-L643 HydrophobicContact CD1-CD2 3.77Å; Y299-L643 HydrophobicContact CG-CD2 3.74Å
300A93.2Very high89.3Confident34 Ų3442.1 Ų42.128%0.28122%0.216SC..Hα-helixtrans-62.5-38.9172.800000111.7T298 A303 A304 V632 L656T298-A300 PolarHBondContact O-N 3.3Å; A300-A303 PolarHBondContact O-N 3.09Å; A300-A304 PolarHBondContact O-N 3.12Å; A300-V632 HydrophobicContact CB-CG2 4.26Å; A300-L656 HydrophobicContact CB-CD1 4.42Å
301Q93Very high90.5Very high40 Ų4043 Ų4319%0.18722%0.221CC..Hα-helixtrans-72.6-41.1175.1-76.2178.6-1000112.4F294 P296 T298 Y299 A303 A304 I305F294-Q301 HydrophobicContact CZ-CB 3.89Å; F294-Q301 HydrophobicContact CZ-CG 4.07Å; P296-Q301 HydrophobicContact CB-CB 3.85Å; T298-Q301 WeakPolarHBondContact O-CA 3.18Å; T298-Q301 WeakPolarHBondContact O-CB 3.37Å; T298-Q301 PolarHBondContact O-N 2.99Å; T298-Q301 PolarHBondContact OG1-N 3.14Å; Y299-Q301 VanDerWaalsContact C-N 3.3Å; Y299-Q301 PolarHBondContact O-N 3.41Å; Q301-A303 VanDerWaalsContact C-N 3.26Å; Q301-A303 PolarHBondContact O-N 3.36Å; Q301-A304 WeakPolarHBondContact O-CB 3.23Å; Q301-A304 PolarHBondContact O-N 2.91Å; Q301-A304 VanDerWaalsContact O-N 3.15Å; Q301-I305 PolarHBondContact O-N 3.07Å
302K94.1Very high91.7Very high16 Ų1637.8 Ų37.87%0.0719%0.193CC..Hα-helixtrans-57.9-41.1171.2-68.8-172.4176.3-179.80110.8P296 T298 Y299 I305 E363 D365 E625 Y630P296-K302 HydrophobicContact CB-CG 3.84Å; P296-K302 HydrophobicContact CG-CG 4.04Å; T298-K302 PolarHBondContact O-N 3.2Å; Y299-K302 HydrophobicContact CD1-CD 4.3Å; Y299-K302 PolarHBondContact O-N 3.21Å; K302-I305 WeakPolarHBondContact O-CB 3.35Å; K302-I305 PolarHBondContact O-N 3.06Å; K302-E363 VanDerWaalsContact CE-O 3.27Å; K302-E363 WeakPolarHBondContact CE-O 3.36Å; K302-D365 IonicContact NZ-OD2 3.72Å; K302-D365 PolarHBondContact NZ-OD2 3.47Å; K302-E625 IonicContact NZ-OE1 3.7Å; K302-E625 IonicContact NZ-OE2 3.78Å; K302-E625 PolarHBondContact NZ-OE2 3.04Å; K302-Y630 HydrophobicContact CB-CD2 3.85Å; K302-Y630 HydrophobicContact CB-CE2 4.46Å; K302-Y630 HydrophobicContact CB-CG 4.5Å; K302-Y630 HydrophobicContact CD-CD2 4.26Å; K302-Y630 HydrophobicContact CD-CE2 4Å
303A95.8Very high92.6Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-67.1-36.317600000113.2Y299 A300 Q301 I305 N306 Y630 V632 L643Y299-A303 VanDerWaalsContact O-CB 3.26Å; Y299-A303 WeakPolarHBondContact O-CB 3.46Å; Y299-A303 PolarHBondContact O-N 3.17Å; A300-A303 PolarHBondContact O-N 3.09Å; Q301-A303 VanDerWaalsContact C-N 3.26Å; Q301-A303 PolarHBondContact O-N 3.36Å; A303-I305 PolarHBondContact O-N 3.46Å; A303-N306 PolarHBondContact O-N 3.43Å; A303-Y630 VanDerWaalsContact CA-O 3.27Å; A303-Y630 WeakPolarHBondContact CA-O 3.28Å; A303-Y630 WeakPolarHBondContact CB-O 3.23Å; A303-V632 HydrophobicContact CB-CG2 3.91Å; A303-L643 HydrophobicContact CB-CD1 4.4Å
304A92.7Very high93.3Very high14 Ų1436.1 Ų36.112%0.11618%0.177CC..Hα-helixtrans-58.4-39179.500000110.9W143 A300 Q301 N306 Q307W143-A304 HydrophobicContact CE3-CB 3.57Å; W143-A304 WeakPolarHBondContact CH2-O 3.27Å; W143-A304 HydrophobicContact CZ3-CB 4.01Å; W143-A304 WeakPolarHBondContact CZ3-O 3.2Å; A300-A304 PolarHBondContact O-N 3.12Å; Q301-A304 WeakPolarHBondContact O-CB 3.23Å; Q301-A304 PolarHBondContact O-N 2.91Å; Q301-A304 VanDerWaalsContact O-N 3.15Å; A304-N306 PolarHBondContact O-N 2.93Å; A304-Q307 VanDerWaalsContact O-CB 3.25Å; A304-Q307 WeakPolarHBondContact O-CB 3.25Å; A304-Q307 PolarHBondContact O-N 3.25Å
305I91.6Very high93.8Very high22 Ų2234.6 Ų34.611%0.11317%0.171CC..G310 helixtrans-46.6-32.6178.5-63.6172.1000112.7K135 F294 P296 Q301 K302 A303 Q307 E363K135-I305 WeakPolarHBondContact CE-O 3.46Å; K135-I305 VanDerWaalsContact NZ-CG2 3.3Å; K135-I305 PolarHBondContact NZ-O 2.89Å; F294-I305 HydrophobicContact CD1-CG1 4.29Å; F294-I305 HydrophobicContact CE1-CD1 4.38Å; F294-I305 HydrophobicContact CE1-CG1 4.03Å; P296-I305 HydrophobicContact CB-CD1 4.24Å; P296-I305 HydrophobicContact CG-CD1 3.88Å; Q301-I305 PolarHBondContact O-N 3.07Å; K302-I305 WeakPolarHBondContact O-CB 3.35Å; K302-I305 PolarHBondContact O-N 3.06Å; A303-I305 PolarHBondContact O-N 3.46Å; I305-Q307 VanDerWaalsContact C-N 3.34Å; I305-Q307 PolarHBondContact O-N 3.24Å; I305-E363 HydrophobicContact CD1-CG 4.02Å
306N94.9Very high94.1Very high9 Ų932.6 Ų32.65%0.04816%0.163CC..G310 helixtrans-78.1-6.5-179.8-69.6-50.4000115.4A303 A304 G308 W309 Y630 F631A303-N306 PolarHBondContact O-N 3.43Å; A304-N306 PolarHBondContact O-N 2.93Å; N306-G308 PolarHBondContact O-N 3.38Å; N306-W309 PolarHBondContact OD1-NE1 3.4Å; N306-W309 VanDerWaalsContact OD1-NE1 3.11Å; N306-Y630 PolarHBondContact ND2-O 3.3Å; N306-Y630 VanDerWaalsContact ND2-O 3.1Å; N306-F631 HydrophobicContact CB-CD1 4.37Å; N306-F631 HydrophobicContact CB-CE1 3.59Å; N306-F631 HydrophobicContact CB-CZ 3.95Å
307Q91.7Very high94.4Very high103 Ų10333.4 Ų33.448%0.48117%0.167SC..G310 helixtrans-66.2-24.7-179.5-166.9-175.4-1900113.3W143 A304 I305W143-Q307 HydrophobicContact CH2-CB 4.02Å; W143-Q307 HydrophobicContact CZ3-CB 3.7Å; A304-Q307 VanDerWaalsContact O-CB 3.25Å; A304-Q307 WeakPolarHBondContact O-CB 3.25Å; A304-Q307 PolarHBondContact O-N 3.25Å; I305-Q307 VanDerWaalsContact C-N 3.34Å; I305-Q307 PolarHBondContact O-N 3.24Å
308G92.7Very high94.7Very high0 Ų026.4 Ų26.40%014%0.137CC..G310 helixtrans-81-10.6-172.200000115.4K135 R136 N306 L310K135-G308 CarbonylContact C-O 3.55Å; K135-G308 WeakPolarHBondContact CA-O 3.43Å; K135-G308 VanDerWaalsContact CG-C 3.41Å; K135-G308 WeakPolarHBondContact CG-O 3.47Å; R136-G308 PolarHBondContact N-O 2.91Å; N306-G308 PolarHBondContact O-N 3.38Å; G308-L310 PolarHBondContact O-N 3.39Å
309W97.4Very high94.8Very high23 Ų2323.7 Ų23.79%0.08712%0.12CC..BIsolated β-bridgetrans-63.2133.4-174-69.6116.3000111.7K135 N306 R330 K332 V702 F706K135-W309 HydrophobicContact CB-CD2 4.39Å; K135-W309 HydrophobicContact CB-CE3 3.82Å; K135-W309 HydrophobicContact CB-CZ3 4.01Å; K135-W309 HydrophobicContact CG-CD2 4.35Å; K135-W309 HydrophobicContact CG-CE3 4.27Å; N306-W309 PolarHBondContact OD1-NE1 3.4Å; N306-W309 VanDerWaalsContact OD1-NE1 3.11Å; W309-R330 HydrophobicContact CH2-CB 3.7Å; W309-R330 HydrophobicContact CZ3-CB 4.19Å; W309-K332 HydrophobicContact CD2-CD 3.98Å; W309-K332 HydrophobicContact CD2-CG 4.17Å; W309-K332 HydrophobicContact CE3-CB 4.45Å; W309-K332 HydrophobicContact CE3-CD 3.84Å; W309-K332 HydrophobicContact CE3-CG 4.21Å; W309-K332 HydrophobicContact CH2-CB 3.59Å; W309-K332 HydrophobicContact CH2-CD 4.41Å; W309-K332 HydrophobicContact CH2-CG 3.92Å; W309-K332 HydrophobicContact CZ2-CB 4.01Å; W309-K332 HydrophobicContact CZ2-CG 3.89Å; W309-K332 HydrophobicContact CZ3-CB 3.85Å; W309-K332 HydrophobicContact CZ3-CD 4.07Å; W309-K332 HydrophobicContact CZ3-CG 4.09Å; W309-V702 HydrophobicContact CB-CG1 4.24Å; W309-V702 HydrophobicContact CB-CG2 4.46Å; W309-V702 HydrophobicContact CG-CG1 4.44Å; W309-F706 AromaticContact CD1-CE2 3.78Å; W309-F706 AromaticContact CD1-CZ 3.98Å; W309-F706 AromaticContact NE1-CE2 3.83Å; W309-F706 AromaticContact NE1-CZ 3.54Å
310L97.2Very high94.8Very high2 Ų222.3 Ų22.31%0.0112%0.12CC..PPolyproline II helixtrans-78.7149.9172.6-62.1-175.8000110.5V113 L134 R136 G308 S312 L316 I321V113-L310 HydrophobicContact CG1-CB 4.44Å; V113-L310 HydrophobicContact CG2-CB 4.32Å; V113-L310 HydrophobicContact CG2-CD1 4.3Å; L134-L310 HydrophobicContact CB-CD1 3.83Å; L134-L310 HydrophobicContact CB-CG 4.43Å; L134-L310 WeakPolarHBondContact O-CB 3.5Å; L134-L310 PolarHBondContact O-N 3.32Å; R136-L310 HydrophobicContact CG-CD2 3.63Å; G308-L310 PolarHBondContact O-N 3.39Å; L310-S312 PolarHBondContact O-N 3.33Å; L310-L316 HydrophobicContact CD1-CD2 3.78Å; L310-I321 HydrophobicContact CD1-CG1 4.08Å; L310-I321 HydrophobicContact CD2-CD1 4.39Å; L310-I321 HydrophobicContact CD2-CG1 4.4Å
311D96.1Very high94.9Very high30 Ų3020.8 Ų20.816%0.1611%0.107CC..PPolyproline II helixtrans-67.3120.3171.7-178.3-18.8000109S313 R314 Q319 K701D311-S313 PolarHBondContact O-N 3.04Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 2.9Å; D311-R314 HydrophobicContact CB-CB 4.26Å; D311-R314 HydrophobicContact CB-CG 4.34Å; D311-R314 PolarHBondContact O-N 3.26Å; D311-R314 WeakPolarHBondContact OD2-CD 3.33Å; D311-R314 WeakPolarHBondContact OD2-CG 3.41Å; D311-Q319 PolarHBondContact O-NE2 2.93Å; D311-K701 WeakPolarHBondContact OD1-CE 3.33Å; D311-K701 IonicContact OD1-NZ 2.78Å; D311-K701 PolarHBondContact OD1-NZ 3.35Å; D311-K701 WeakPolarHBondContact OD2-CE 3.23Å
312S97Very high94.8Very high1 Ų122.6 Ų22.61%0.00712%0.121CC..THydrogen-bonded Turntrans-69.9-21.9-174.5-53.30000112.1P112 V113 F114 L310 E705 H730P112-S312 WeakPolarHBondContact CB-O 3.41Å; V113-S312 PolarHBondContact N-O 2.66Å; F114-S312 WeakPolarHBondContact CB-O 3.13Å; F114-S312 PolarHBondContact N-O 3.44Å; L310-S312 PolarHBondContact O-N 3.33Å; S312-E705 PolarHBondContact N-OE1 3.26Å; S312-E705 PolarHBondContact OG-OE1 3.1Å; S312-E705 PolarHBondContact OG-OE2 3.44Å; S312-H730 PolarHBondContact O-CE1 2.94Å
313S95.5Very high94.8Very high32 Ų3226 Ų2622%0.22414%0.137CC..THydrogen-bonded Turntrans-95.80.8-177.2-63.70000114.1D311 H730 G734D311-S313 PolarHBondContact O-N 3.04Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 2.9Å; S313-H730 PolarHBondContact OG-ND1 3.12Å; S313-G734 WeakPolarHBondContact OG-CA 3.39Å
314R95.1Very high94.6Very high55 Ų5530.1 Ų30.121%0.20816%0.159CC..SBendtrans-119.7154178.3-65.5-178.966.5-160.8-1.5110.5V113 D311 E318 Q319V113-R314 VanDerWaalsContact CG2-O 3.31Å; V113-R314 WeakPolarHBondContact CG2-O 3.29Å; V113-R314 PolarHBondContact N-O 3.37Å; D311-R314 HydrophobicContact CB-CB 4.26Å; D311-R314 HydrophobicContact CB-CG 4.34Å; D311-R314 PolarHBondContact O-N 3.26Å; D311-R314 WeakPolarHBondContact OD2-CD 3.33Å; D311-R314 WeakPolarHBondContact OD2-CG 3.41Å; R314-E318 PolarHBondContact NH2-O 3.49Å; R314-Q319 HydrophobicContact CB-CG 4.02Å; R314-Q319 PolarHBondContact O-NE2 2.86Å; R314-Q319 VanDerWaalsContact O-NE2 3.13Å
315S96.8Very high94.6Very high1 Ų132.4 Ų32.41%0.00717%0.167CC..BIsolated β-bridgetrans-75.4164.5178.368.40000113F109 V111 L317 E318 Q319F109-S315 VanDerWaalsContact O-CB 3.25Å; F109-S315 WeakPolarHBondContact O-CB 3.29Å; F109-S315 PolarHBondContact O-OG 3.39Å; V111-S315 WeakPolarHBondContact O-CA 3.45Å; V111-S315 WeakPolarHBondContact O-CB 3.26Å; S315-L317 PolarHBondContact O-N 3.38Å; S315-E318 PolarHBondContact N-OE2 2.98Å; S315-E318 PolarHBondContact O-N 3.39Å; S315-E318 WeakPolarHBondContact OG-CB 3.5Å; S315-E318 VanDerWaalsContact OG-CD 3.24Å; S315-E318 WeakPolarHBondContact OG-CG 3.29Å; S315-E318 PolarHBondContact OG-N 2.88Å; S315-E318 PolarHBondContact OG-OE2 3.23Å; S315-E318 VanDerWaalsContact OG-OE2 3.06Å; S315-Q319 WeakPolarHBondContact O-CG 3.35Å; S315-Q319 PolarHBondContact O-N 2.96Å; S315-Q319 PolarHBondContact O-NE2 2.88Å
316L96.7Very high94.8Very high1 Ų133.7 Ų33.71%0.00517%0.173CC..THydrogen-bonded Turntrans-57.3-47.9177.8-72.6173.1000111.5L107 F109 V113 L134 L310 E318 Q319 G320 I321L107-L316 HydrophobicContact CB-CD1 4.38Å; L107-L316 HydrophobicContact CD1-CD1 4.04Å; F109-L316 HydrophobicContact CB-CB 4.47Å; F109-L316 HydrophobicContact CD1-CB 3.7Å; F109-L316 HydrophobicContact CD1-CD1 4.3Å; F109-L316 HydrophobicContact CD2-CD1 3.97Å; F109-L316 HydrophobicContact CE1-CB 4.09Å; F109-L316 HydrophobicContact CE1-CD1 4.25Å; F109-L316 HydrophobicContact CE2-CD1 3.92Å; F109-L316 HydrophobicContact CG-CB 4.03Å; F109-L316 HydrophobicContact CG-CD1 4.17Å; F109-L316 HydrophobicContact CZ-CD1 4.07Å; V113-L316 HydrophobicContact CG2-CD2 3.88Å; V113-L316 HydrophobicContact CG2-CG 4.24Å; L134-L316 HydrophobicContact CD1-CD2 3.88Å; L310-L316 HydrophobicContact CD1-CD2 3.78Å; L316-E318 PolarHBondContact O-N 3Å; L316-Q319 CarbonylContact O-C 3.53Å; L316-Q319 PolarHBondContact O-N 3.45Å; L316-Q319 VanDerWaalsContact O-N 3.13Å; L316-G320 PolarHBondContact O-N 3.49Å; L316-I321 HydrophobicContact CB-CB 4.07Å; L316-I321 HydrophobicContact CB-CG2 4.4Å; L316-I321 HydrophobicContact CD2-CB 4.26Å; L316-I321 HydrophobicContact CD2-CG1 4.19Å; L316-I321 HydrophobicContact CD2-CG2 4.27Å; L316-I321 WeakPolarHBondContact O-CB 3.27Å; L316-I321 PolarHBondContact O-N 3.26Å
317L95.3Very high94.8Very high22 Ų2233.3 Ų33.312%0.11517%0.171CC..G310 helixtrans-70.4-34-176.1-164.263.6000112.7W58 W65 F109 S315 Q319 G320 I321W58-L317 HydrophobicContact CD2-CD2 3.5Å; W58-L317 VanDerWaalsContact CD2-CD2 3.5Å; W58-L317 HydrophobicContact CD2-CG 4.16Å; W58-L317 HydrophobicContact CE3-CD2 3.81Å; W58-L317 HydrophobicContact CE3-CG 4.35Å; W58-L317 HydrophobicContact CG-CD2 3.85Å; W58-L317 HydrophobicContact CH2-CB 4.19Å; W58-L317 HydrophobicContact CH2-CD2 4.25Å; W58-L317 HydrophobicContact CH2-CG 3.89Å; W58-L317 HydrophobicContact CZ2-CB 4.47Å; W58-L317 HydrophobicContact CZ2-CD2 3.99Å; W58-L317 HydrophobicContact CZ2-CG 3.68Å; W58-L317 HydrophobicContact CZ3-CB 4.34Å; W58-L317 HydrophobicContact CZ3-CD2 4.17Å; W58-L317 HydrophobicContact CZ3-CG 4.21Å; W65-L317 HydrophobicContact CH2-CD2 4.09Å; W65-L317 HydrophobicContact CZ2-CB 4.28Å; W65-L317 HydrophobicContact CZ2-CD2 3.39Å; W65-L317 HydrophobicContact CZ2-CG 4.48Å; F109-L317 HydrophobicContact CB-CB 4.33Å; F109-L317 HydrophobicContact CD1-CB 4.39Å; S315-L317 PolarHBondContact O-N 3.38Å; L317-Q319 PolarHBondContact O-N 3.08Å; L317-G320 PolarHBondContact O-N 2.98Å; L317-I321 WeakPolarHBondContact CD1-O 3.43Å
318E96.1Very high95.1Very high33 Ų3329.2 Ų29.215%0.15415%0.153CC..G310 helixtrans-61.6-27.2171.9-71.4176.4147.500113.2W58 F63 R314 S315 L316 G320W58-E318 HydrophobicContact CH2-CB 4.5Å; W58-E318 HydrophobicContact CH2-CG 3.96Å; W58-E318 HydrophobicContact CZ3-CG 3.85Å; F63-E318 WeakPolarHBondContact O-CG 3.39Å; R314-E318 PolarHBondContact NH2-O 3.49Å; S315-E318 PolarHBondContact N-OE2 2.98Å; S315-E318 PolarHBondContact O-N 3.39Å; S315-E318 WeakPolarHBondContact OG-CB 3.5Å; S315-E318 VanDerWaalsContact OG-CD 3.24Å; S315-E318 WeakPolarHBondContact OG-CG 3.29Å; S315-E318 PolarHBondContact OG-N 2.88Å; S315-E318 PolarHBondContact OG-OE2 3.23Å; S315-E318 VanDerWaalsContact OG-OE2 3.06Å; L316-E318 PolarHBondContact O-N 3Å; E318-G320 VanDerWaalsContact C-N 3.3Å
319Q94.5Very high95.3Very high12 Ų1229.2 Ų29.26%0.05615%0.153CC..G310 helixtrans-92.67.9175.5-61.8-175.972.200111.8R136 D311 R314 S315 L316 L317 I321R136-Q319 PolarHBondContact NH1-O 3.22Å; R136-Q319 PolarHBondContact NH2-O 2.99Å; D311-Q319 PolarHBondContact O-NE2 2.93Å; R314-Q319 HydrophobicContact CB-CG 4.02Å; R314-Q319 PolarHBondContact O-NE2 2.86Å; R314-Q319 VanDerWaalsContact O-NE2 3.13Å; S315-Q319 WeakPolarHBondContact O-CG 3.35Å; S315-Q319 PolarHBondContact O-N 2.96Å; S315-Q319 PolarHBondContact O-NE2 2.88Å; L316-Q319 CarbonylContact O-C 3.53Å; L316-Q319 PolarHBondContact O-N 3.45Å; L316-Q319 VanDerWaalsContact O-N 3.13Å; L317-Q319 PolarHBondContact O-N 3.08Å; Q319-I321 VanDerWaalsContact C-N 3.26Å; Q319-I321 PolarHBondContact O-N 2.93Å
320G93.5Very high95.4Very high19 Ų1929.9 Ų29.920%0.19616%0.155CC..THydrogen-bonded Turntrans71.119.8178.900000113.8L316 L317 E318L316-G320 PolarHBondContact O-N 3.49Å; L317-G320 PolarHBondContact O-N 2.98Å; E318-G320 VanDerWaalsContact C-N 3.3Å
321I94.4Very high95.4Very high1 Ų129.8 Ų29.81%0.00516%0.155CC..PPolyproline II helixtrans-78.1121165.2-56-62.3000107.5F109 R136 L310 L316 L317 Q319 Q325 V327F109-I321 HydrophobicContact CE1-CG2 4.17Å; R136-I321 HydrophobicContact CG-CD1 4.34Å; R136-I321 VanDerWaalsContact NH1-CD1 3.26Å; L310-I321 HydrophobicContact CD1-CG1 4.08Å; L310-I321 HydrophobicContact CD2-CD1 4.39Å; L310-I321 HydrophobicContact CD2-CG1 4.4Å; L316-I321 HydrophobicContact CB-CB 4.07Å; L316-I321 HydrophobicContact CB-CG2 4.4Å; L316-I321 HydrophobicContact CD2-CB 4.26Å; L316-I321 HydrophobicContact CD2-CG1 4.19Å; L316-I321 HydrophobicContact CD2-CG2 4.27Å; L316-I321 WeakPolarHBondContact O-CB 3.27Å; L316-I321 PolarHBondContact O-N 3.26Å; L317-I321 WeakPolarHBondContact CD1-O 3.43Å; Q319-I321 VanDerWaalsContact C-N 3.26Å; Q319-I321 PolarHBondContact O-N 2.93Å; I321-Q325 HydrophobicContact CG2-CB 4.25Å; I321-V327 HydrophobicContact CD1-CG1 4.09Å; I321-V327 HydrophobicContact CG1-CG1 4.38Å; I321-V327 HydrophobicContact CG2-CG1 3.84Å
322V92.3Very high95.5Very high78 Ų7828.4 Ų28.447%0.47315%0.147SC..PPolyproline II helixtrans-101.7167.9-179.8-61.20000111.3Q325V322-Q325 HydrophobicContact CG2-CB 4.14Å; V322-Q325 WeakPolarHBondContact O-CB 3.2Å; V322-Q325 PolarHBondContact O-N 3.41Å
323E92.5Very high95.5Very high89 Ų8928.4 Ų28.442%0.41615%0.147SC..THydrogen-bonded Turntrans-55.5142.9175.9-172.8164-165.500111.9K91 L92 Q325K91-E323 HydrophobicContact CB-CB 4.29Å; K91-E323 HydrophobicContact CB-CG 4.03Å; K91-E323 HydrophobicContact CD-CB 4.26Å; L92-E323 HydrophobicContact CB-CG 4.48Å; E323-Q325 PolarHBondContact O-N 3.08Å
324N93.4Very high95.4Very high85 Ų8528 Ų2846%0.45514%0.142SC..THydrogen-bonded Turntrans60.95.2-176-60.3-48.8000115.6L92 R94L92-N324 WeakPolarHBondContact CB-OD1 3.27Å; L92-N324 PolarHBondContact O-N 2.79Å; R94-N324 WeakPolarHBondContact CD-O 3.33Å
325Q92.6Very high95.2Very high63 Ų6327 Ų2729%0.29414%0.143SC..  trans-71.2141.9172.7-172.6171-2.800110.7R94 I321 V322 E323R94-Q325 PolarHBondContact N-O 2.73Å; I321-Q325 HydrophobicContact CG2-CB 4.25Å; V322-Q325 HydrophobicContact CG2-CB 4.14Å; V322-Q325 WeakPolarHBondContact O-CB 3.2Å; V322-Q325 PolarHBondContact O-N 3.41Å; E323-Q325 PolarHBondContact O-N 3.08Å
326M94.4Very high95Very high48 Ų4828.3 Ų28.324%0.23615%0.149CC..EExtended strand (participates in β ladder)trans-76.7127.6175.5-172.7179.1-75.500111.4R94 Q96 C137 L328R94-M326 HydrophobicContact CB-CB 4.43Å; R94-M326 CarbonylContact O-C 3.52Å; R94-M326 VanDerWaalsContact O-CA 3.29Å; R94-M326 WeakPolarHBondContact O-CA 3.46Å; Q96-M326 HydrophobicContact CB-SD 4.49Å; C137-M326 HydrophobicContact CB-CG 4.42Å; C137-M326 HydrophobicContact CB-SD 4.5Å; M326-L328 HydrophobicContact CG-CD2 4.5Å
327V96.4Very high94.5Very high1 Ų130.8 Ų30.81%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-122.9154168.4-67.10000109.5R94 I95 Q96 L134 I321R94-V327 PolarHBondContact O-N 2.78Å; I95-V327 CarbonylContact C-O 3.6Å; I95-V327 WeakPolarHBondContact CA-O 3.45Å; I95-V327 HydrophobicContact CG1-CG2 4.09Å; Q96-V327 PolarHBondContact N-O 3.01Å; L134-V327 HydrophobicContact CD2-CG2 4.19Å; I321-V327 HydrophobicContact CD1-CG1 4.09Å; I321-V327 HydrophobicContact CG1-CG1 4.38Å; I321-V327 HydrophobicContact CG2-CG1 3.84Å
328L97Very high94Very high18 Ų1832.6 Ų32.69%0.09417%0.169CC..EExtended strand (participates in β ladder)trans-106.5125-177.7-45179.4000108.7Q96 L134 K135 C137 M326 R330Q96-L328 HydrophobicContact CB-CD2 3.73Å; Q96-L328 HydrophobicContact CG-CD2 4.43Å; L134-L328 CarbonylContact C-O 3.53Å; L134-L328 WeakPolarHBondContact CA-O 3.41Å; K135-L328 HydrophobicContact CB-CB 4.2Å; K135-L328 HydrophobicContact CD-CD1 4.45Å; K135-L328 PolarHBondContact N-O 2.84Å; K135-L328 PolarHBondContact O-N 2.75Å; C137-L328 HydrophobicContact CB-CD2 4.04Å; C137-L328 HydrophobicContact CB-CG 4.26Å; M326-L328 HydrophobicContact CG-CD2 4.5Å; L328-R330 HydrophobicContact CB-CG 4.44Å
329L98.2Very high93.7Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-88.6122.9167.6-178.866.6000108.4I95 Q96 L97 P98 V117 L120 L124 L132 L134I95-L329 HydrophobicContact CG2-CB 3.89Å; Q96-L329 PolarHBondContact O-N 3.35Å; L97-L329 HydrophobicContact CD2-CB 4.35Å; L97-L329 HydrophobicContact CD2-CD2 3.81Å; P98-L329 VanDerWaalsContact CD-O 3.31Å; P98-L329 WeakPolarHBondContact CD-O 3.49Å; V117-L329 HydrophobicContact CG1-CD1 4.41Å; L120-L329 HydrophobicContact CD2-CD1 4.07Å; L120-L329 HydrophobicContact CD2-CD2 4Å; L120-L329 HydrophobicContact CD2-CG 4.46Å; L120-L329 HydrophobicContact CG-CD2 4.4Å; L124-L329 HydrophobicContact CD1-CD2 3.87Å; L132-L329 HydrophobicContact CB-CD1 3.99Å; L132-L329 HydrophobicContact CD2-CD1 4Å; L132-L329 HydrophobicContact CD2-CD2 4.09Å; L132-L329 HydrophobicContact CD2-CG 3.86Å; L134-L329 HydrophobicContact CD2-CB 4.26Å; L134-L329 HydrophobicContact CD2-CD1 4.07Å
330R97.9Very high93.3Very high36 Ų3635.5 Ų35.514%0.13619%0.186CC..EExtended strand (participates in β ladder)trans-141.4149.2-179.8-66.3-63.5-178.9-79.10.9110.4Q96 L97 L132 S133 W309 L328 K332Q96-R330 PolarHBondContact O-NH1 3.18Å; L97-R330 PolarHBondContact O-NH1 3.33Å; L97-R330 VanDerWaalsContact O-NH1 3.15Å; L132-R330 WeakPolarHBondContact CA-O 3.34Å; S133-R330 PolarHBondContact N-O 2.78Å; S133-R330 PolarHBondContact O-N 3.17Å; S133-R330 VanDerWaalsContact O-N 3.15Å; W309-R330 HydrophobicContact CH2-CB 3.7Å; W309-R330 HydrophobicContact CZ3-CB 4.19Å; L328-R330 HydrophobicContact CB-CG 4.44Å; R330-K332 PolarHBondContact O-N 3.27Å
331F98.2Very high93Very high1 Ų138 Ų380%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-65.9119.2165.6-63.5-91000107.9P98 E131 L132 M334 F336 R347 Q350 I351 Q354P98-F331 HydrophobicContact CG-CD2 4.32Å; P98-F331 HydrophobicContact CG-CE2 4.21Å; E131-F331 HydrophobicContact CB-CD1 4.13Å; E131-F331 CarbonylContact O-C 3.49Å; E131-F331 WeakPolarHBondContact O-CA 3.38Å; L132-F331 HydrophobicContact CD1-CD1 3.98Å; L132-F331 HydrophobicContact CD1-CE1 3.67Å; L132-F331 HydrophobicContact CD1-CZ 4.31Å; L132-F331 HydrophobicContact CD2-CD1 4.09Å; L132-F331 HydrophobicContact CD2-CD2 4.26Å; L132-F331 HydrophobicContact CD2-CE1 3.92Å; L132-F331 HydrophobicContact CD2-CE2 4.07Å; L132-F331 HydrophobicContact CD2-CG 4.25Å; L132-F331 HydrophobicContact CD2-CZ 3.89Å; L132-F331 HydrophobicContact CG-CD1 3.68Å; L132-F331 HydrophobicContact CG-CE1 3.76Å; L132-F331 HydrophobicContact CG-CG 4.14Å; L132-F331 HydrophobicContact CG-CZ 4.26Å; F331-M334 HydrophobicContact CB-SD 4.33Å; F331-M334 WeakPolarHBondContact O-CE 3.29Å; F331-F336 HydrophobicContact CB-CE1 4.13Å; F331-F336 HydrophobicContact CD1-CD1 4.28Å; F331-F336 AromaticContact CD1-CE1 3.65Å; F331-F336 HydrophobicContact CD1-CE1 3.65Å; F331-F336 HydrophobicContact CE1-CE1 4.34Å; F331-F336 HydrophobicContact CG-CE1 4.02Å; F331-R347 HydrophobicContact CE1-CG 4.3Å; F331-R347 HydrophobicContact CZ-CG 4.24Å; F331-Q350 HydrophobicContact CE2-CB 3.8Å; F331-Q350 HydrophobicContact CZ-CB 4.2Å; F331-I351 HydrophobicContact CD1-CG1 4.1Å; F331-I351 HydrophobicContact CD2-CG1 4.1Å; F331-I351 HydrophobicContact CE1-CD1 4.09Å; F331-I351 HydrophobicContact CE1-CG1 3.59Å; F331-I351 HydrophobicContact CE2-CB 4.38Å; F331-I351 HydrophobicContact CE2-CG1 3.61Å; F331-I351 HydrophobicContact CG-CG1 4.34Å; F331-I351 HydrophobicContact CZ-CB 4.49Å; F331-I351 HydrophobicContact CZ-CD1 4.18Å; F331-I351 HydrophobicContact CZ-CG1 3.34Å; F331-Q354 PolarHBondContact O-NE2 2.78Å
332K97.6Very high92.6Very high0 Ų043.9 Ų43.90%022%0.22CC..  trans-96.4-43.3-178.2-176.5173.6176.7178.80110.5E131 W309 R330 H629 E705 F706E131-K332 PolarHBondContact O-N 3.32Å; W309-K332 HydrophobicContact CD2-CD 3.98Å; W309-K332 HydrophobicContact CD2-CG 4.17Å; W309-K332 HydrophobicContact CE3-CB 4.45Å; W309-K332 HydrophobicContact CE3-CD 3.84Å; W309-K332 HydrophobicContact CE3-CG 4.21Å; W309-K332 HydrophobicContact CH2-CB 3.59Å; W309-K332 HydrophobicContact CH2-CD 4.41Å; W309-K332 HydrophobicContact CH2-CG 3.92Å; W309-K332 HydrophobicContact CZ2-CB 4.01Å; W309-K332 HydrophobicContact CZ2-CG 3.89Å; W309-K332 HydrophobicContact CZ3-CB 3.85Å; W309-K332 HydrophobicContact CZ3-CD 4.07Å; W309-K332 HydrophobicContact CZ3-CG 4.09Å; R330-K332 PolarHBondContact O-N 3.27Å; K332-H629 PolarHBondContact O-CE1 3.46Å; K332-H629 PolarHBondContact O-NE2 2.89Å; K332-E705 IonicContact NZ-OE2 3.98Å; K332-E705 PolarHBondContact NZ-OE2 3.3Å; K332-F706 HydrophobicContact CG-CE1 3.82Å; K332-F706 HydrophobicContact CG-CZ 3.91Å; K332-F706 WeakPolarHBondContact O-CE1 3.34Å
333F96.6Very high92.3Very high1 Ų144.1 Ų44.10%0.00421%0.213CC..SBendtrans-102.1105.8-178.9-50-77.2000109.2E130 E131 C335 E705 F706 G709 Y710 F729E130-F333 WeakPolarHBondContact O-CD2 3.47Å; E130-F333 WeakPolarHBondContact O-CE2 3.37Å; E131-F333 PolarHBondContact O-N 2.84Å; E131-F333 VanDerWaalsContact O-N 3.12Å; F333-C335 PolarHBondContact O-N 2.88Å; F333-E705 WeakPolarHBondContact CE1-O 3.27Å; F333-F706 HydrophobicContact CE1-CD1 4.47Å; F333-G709 VanDerWaalsContact CE1-CA 3.41Å; F333-Y710 HydrophobicContact CB-CD1 4.03Å; F333-Y710 HydrophobicContact CB-CE1 3.92Å; F333-Y710 HydrophobicContact CD1-CD1 4.1Å; F333-Y710 HydrophobicContact CD1-CD2 4.48Å; F333-Y710 HydrophobicContact CD1-CE1 4.36Å; F333-Y710 HydrophobicContact CD1-CG 4.16Å; F333-F729 HydrophobicContact CE2-CE2 4.37Å; F333-F729 HydrophobicContact CE2-CZ 4.49Å
334M95Very high92.3Very high23 Ų2339.9 Ų39.911%0.11319%0.193CC..  trans-79.348.2-171.9-51.4-60.2171.400112.4F331 F336 W620 Y626F331-M334 HydrophobicContact CB-SD 4.33Å; F331-M334 WeakPolarHBondContact O-CE 3.29Å; M334-F336 HydrophobicContact SD-CZ 4.35Å; M334-W620 HydrophobicContact SD-CH2 3.75Å; M334-W620 HydrophobicContact SD-CZ2 4.33Å; M334-Y626 VanDerWaalsContact C-OH 3.32Å; M334-Y626 HydrophobicContact CB-CE1 4.28Å; M334-Y626 HydrophobicContact CB-CE2 4.15Å; M334-Y626 WeakPolarHBondContact O-CE1 3.23Å; M334-Y626 VanDerWaalsContact O-CZ 3.25Å; M334-Y626 PolarHBondContact O-OH 2.96Å
335C90.5Very high92.2Very high34 Ų3436.8 Ų36.823%0.2318%0.178CC..  trans-132.387.717950.50000109F333 F337 C713F333-C335 PolarHBondContact O-N 2.88Å; C335-F337 PolarHBondContact O-N 3.47Å; C335-C713 WeakPolarHBondContact SG-CB 3.45Å
336F92.1Very high92.3Very high29 Ų2933.9 Ų33.913%0.12716%0.164CC..  trans-81.9115.6-174.1-48.2-56.1000111.1E131 F331 M334 I351 W620 Y626E131-F336 WeakPolarHBondContact OE1-CA 3.44Å; F331-F336 HydrophobicContact CB-CE1 4.13Å; F331-F336 HydrophobicContact CD1-CD1 4.28Å; F331-F336 AromaticContact CD1-CE1 3.65Å; F331-F336 HydrophobicContact CD1-CE1 3.65Å; F331-F336 HydrophobicContact CE1-CE1 4.34Å; F331-F336 HydrophobicContact CG-CE1 4.02Å; M334-F336 HydrophobicContact SD-CZ 4.35Å; F336-I351 HydrophobicContact CB-CD1 4.41Å; F336-I351 HydrophobicContact CD1-CD1 3.73Å; F336-I351 HydrophobicContact CD1-CG1 4.27Å; F336-I351 HydrophobicContact CD2-CD1 4.17Å; F336-I351 HydrophobicContact CD2-CG2 4.05Å; F336-I351 HydrophobicContact CE1-CD1 4.03Å; F336-I351 HydrophobicContact CE1-CG1 4.05Å; F336-I351 HydrophobicContact CE1-CG2 4.39Å; F336-I351 HydrophobicContact CE2-CD1 4.45Å; F336-I351 HydrophobicContact CE2-CG2 3.53Å; F336-I351 HydrophobicContact CG-CD1 3.82Å; F336-I351 HydrophobicContact CZ-CD1 4.39Å; F336-I351 HydrophobicContact CZ-CG1 4.21Å; F336-I351 HydrophobicContact CZ-CG2 3.73Å; F336-W620 HydrophobicContact CE2-CE3 4.44Å; F336-W620 HydrophobicContact CE2-CH2 4.45Å; F336-W620 AromaticContact CE2-CZ3 3.67Å; F336-W620 HydrophobicContact CE2-CZ3 3.67Å; F336-W620 HydrophobicContact CZ-CH2 4.26Å; F336-W620 AromaticContact CZ-CZ3 3.85Å; F336-W620 HydrophobicContact CZ-CZ3 3.85Å; F336-Y626 VanDerWaalsContact CE2-OH 3.23Å; F336-Y626 WeakPolarHBondContact CE2-OH 3.34Å
337F86.1Confident92.4Very high53 Ų5331.6 Ų31.623%0.23215%0.153CC..  trans-88.3137.7176.5-177.4-95.7000110.9H128 E131 C335 L339 R347 R716 S717 K718H128-F337 AromaticContact CE1-CD1 3.62Å; E131-F337 PolarHBondContact OE1-N 3.36Å; C335-F337 PolarHBondContact O-N 3.47Å; F337-L339 PolarHBondContact O-N 3.29Å; F337-R347 PolarHBondContact O-NH1 3.25Å; F337-R347 PolarHBondContact O-NH2 2.7Å; F337-R716 HydrophobicContact CD2-CB 4.06Å; F337-R716 HydrophobicContact CE2-CB 4.22Å; F337-R716 HydrophobicContact CG-CB 4.3Å; F337-S717 VanDerWaalsContact CZ-O 3.29Å; F337-S717 WeakPolarHBondContact CZ-O 3.27Å; F337-K718 HydrophobicContact CE2-CG 4.46Å; F337-K718 HydrophobicContact CZ-CG 4.28Å
338D84.6Confident92.3Very high61 Ų6131.7 Ų31.733%0.32615%0.154SC..SBendtrans47.150.7170.7-169.951.5000115R127 N340R127-D338 IonicContact NH1-OD2 2.94Å; R127-D338 PolarHBondContact NH2-O 3.29Å; R127-D338 IonicContact NH2-OD2 2.79Å; R127-D338 PolarHBondContact NH2-OD2 3.42Å; D338-N340 PolarHBondContact O-N 3.22Å; D338-N340 VanDerWaalsContact O-N 3.13Å
339L89.5Confident92.3Very high49 Ų4930.9 Ų30.926%0.25715%0.149SC..  trans-69.8108.7178.3-164.268.2000110.2F337 D344 R347 I348 I351 L614 I617F337-L339 PolarHBondContact O-N 3.29Å; L339-D344 WeakPolarHBondContact CA-OD2 3.21Å; L339-D344 HydrophobicContact CD1-CB 4.11Å; L339-R347 HydrophobicContact CD1-CG 4.24Å; L339-I348 HydrophobicContact CD1-CD1 4.49Å; L339-I348 HydrophobicContact CD1-CG1 3.56Å; L339-I348 HydrophobicContact CD2-CG1 3.99Å; L339-I348 HydrophobicContact CG-CD1 4.25Å; L339-I348 HydrophobicContact CG-CG1 3.65Å; L339-I351 HydrophobicContact CD1-CD1 3.74Å; L339-I351 HydrophobicContact CD2-CD1 4.46Å; L339-L614 HydrophobicContact CD2-CD2 3.69Å; L339-L614 HydrophobicContact CG-CD2 4.32Å; L339-I617 HydrophobicContact CD2-CD1 4.2Å
340N86.5Confident92.3Very high56 Ų5630.9 Ų30.930%0.29915%0.15SC..  trans-125.5121.6-172.1-173.6-39.4000111.1D338 K342 Y343 D344D338-N340 PolarHBondContact O-N 3.22Å; D338-N340 VanDerWaalsContact O-N 3.13Å; N340-K342 PolarHBondContact O-N 3.06Å; N340-K342 VanDerWaalsContact O-N 3.09Å; N340-K342 WeakPolarHBondContact OD1-CB 3.46Å; N340-K342 PolarHBondContact OD1-N 2.92Å; N340-Y343 HydrophobicContact CB-CD2 4.08Å; N340-Y343 PolarHBondContact O-N 2.86Å; N340-Y343 VanDerWaalsContact O-N 3.09Å; N340-D344 PolarHBondContact N-OD2 3.14Å; N340-D344 WeakPolarHBondContact O-CA 3.42Å; N340-D344 VanDerWaalsContact O-CB 3.23Å; N340-D344 WeakPolarHBondContact O-CB 3.2Å; N340-D344 PolarHBondContact O-N 3.48Å
341L87.2Confident92.3Very high73 Ų7329.2 Ų29.238%0.38214%0.143SC..THydrogen-bonded Turntrans-52.6-36.8-177.9-72.196.3000113.8Y343 I348 N610 L614L341-Y343 VanDerWaalsContact C-N 3.35Å; L341-I348 HydrophobicContact CG-CD1 4.26Å; L341-N610 HydrophobicContact CD2-CB 3.43Å; L341-N610 VanDerWaalsContact CD2-CB 3.43Å; L341-L614 HydrophobicContact CD1-CD1 3.36Å; L341-L614 HydrophobicContact CD2-CD1 4.01Å; L341-L614 HydrophobicContact CG-CD1 3.68Å
342K85.3Confident92.2Very high123 Ų12329.4 Ų29.454%0.53514%0.144SC..THydrogen-bonded Turntrans-67-37.2-176.7-175.8177.5174.6-172.70112.2N340N340-K342 PolarHBondContact O-N 3.06Å; N340-K342 VanDerWaalsContact O-N 3.09Å; N340-K342 WeakPolarHBondContact OD1-CB 3.46Å; N340-K342 PolarHBondContact OD1-N 2.92Å
343Y86.7Confident92.2Very high83 Ų8329.7 Ų29.733%0.32515%0.145SC..THydrogen-bonded Turntrans-111-13.2-170.9-53.6-62000113.6N340 L341N340-Y343 HydrophobicContact CB-CD2 4.08Å; N340-Y343 PolarHBondContact O-N 2.86Å; N340-Y343 VanDerWaalsContact O-N 3.09Å; L341-Y343 VanDerWaalsContact C-N 3.35Å
344D92Very high92.2Very high0 Ų030.7 Ų30.70%015%0.15CC..  trans-120.133.6-175.4-65-47.2000114.4R127 L339 N340 V346 R347 I348R127-D344 WeakPolarHBondContact CB-OD1 3.5Å; R127-D344 IonicContact CZ-OD1 2.75Å; R127-D344 IonicContact CZ-OD2 3.78Å; R127-D344 IonicContact NE-OD1 3.73Å; R127-D344 PolarHBondContact NE-OD1 2.72Å; R127-D344 IonicContact NE-OD2 2.9Å; R127-D344 IonicContact NH2-OD1 2.7Å; R127-D344 PolarHBondContact NH2-OD1 3.11Å; R127-D344 IonicContact NH2-OD2 2.62Å; R127-D344 PolarHBondContact NH2-OD2 3.4Å; L339-D344 WeakPolarHBondContact CA-OD2 3.21Å; L339-D344 HydrophobicContact CD1-CB 4.11Å; N340-D344 PolarHBondContact N-OD2 3.14Å; N340-D344 WeakPolarHBondContact O-CA 3.42Å; N340-D344 VanDerWaalsContact O-CB 3.23Å; N340-D344 WeakPolarHBondContact O-CB 3.2Å; N340-D344 PolarHBondContact O-N 3.48Å; D344-V346 VanDerWaalsContact C-N 3.33Å; D344-V346 PolarHBondContact O-N 3.45Å; D344-R347 HydrophobicContact CB-CB 3.98Å; D344-R347 PolarHBondContact O-N 2.8Å; D344-R347 WeakPolarHBondContact OD1-CD 3.36Å; D344-R347 IonicContact OD1-NH1 3.9Å; D344-R347 IonicContact OD2-NH1 3.33Å; D344-R347 PolarHBondContact OD2-NH1 2.79Å; D344-R347 VanDerWaalsContact OD2-NH1 3.11Å; D344-I348 HydrophobicContact CB-CD1 4.07Å; D344-I348 HydrophobicContact CB-CG1 3.99Å; D344-I348 VanDerWaalsContact O-CB 3.26Å; D344-I348 WeakPolarHBondContact O-CB 3.48Å; D344-I348 WeakPolarHBondContact O-CD1 3.43Å; D344-I348 WeakPolarHBondContact O-CG1 3.39Å; D344-I348 PolarHBondContact O-N 3.44Å
345P92.4Very high92.3Very high21 Ų2129.6 Ų29.614%0.13615%0.145CC..Hα-helixtrans-59.4-44.5-176.725.2-33.7000112F274 I279 N349F274-P345 HydrophobicContact CD1-CG 4.19Å; F274-P345 HydrophobicContact CD2-CG 3.61Å; F274-P345 HydrophobicContact CE1-CG 4.26Å; F274-P345 HydrophobicContact CE2-CG 3.68Å; F274-P345 HydrophobicContact CG-CG 3.87Å; F274-P345 HydrophobicContact CZ-CG 4.02Å; I279-P345 HydrophobicContact CD1-CB 4.47Å; I279-P345 HydrophobicContact CG1-CB 4.17Å; I279-P345 HydrophobicContact CG2-CB 4.22Å; P345-N349 WeakPolarHBondContact O-CB 3.49Å; P345-N349 PolarHBondContact O-N 3Å
346V94.7Very high92.5Very high1 Ų128.7 Ų28.71%0.00614%0.137CC..Hα-helixtrans-68-48.4175.71790000111I126 F274 L278 I279 D344 I348 N349 Q350I126-V346 HydrophobicContact CD1-CG1 4.25Å; I126-V346 HydrophobicContact CG1-CB 4.49Å; I126-V346 HydrophobicContact CG1-CG1 3.81Å; F274-V346 HydrophobicContact CB-CG2 4.26Å; F274-V346 HydrophobicContact CD1-CG2 3.96Å; F274-V346 HydrophobicContact CG-CG2 4.43Å; L278-V346 HydrophobicContact CB-CB 4.49Å; L278-V346 HydrophobicContact CB-CG1 3.77Å; L278-V346 HydrophobicContact CB-CG2 3.96Å; I279-V346 HydrophobicContact CG1-CG2 4Å; D344-V346 VanDerWaalsContact C-N 3.33Å; D344-V346 PolarHBondContact O-N 3.45Å; V346-I348 PolarHBondContact O-N 3.4Å; V346-N349 WeakPolarHBondContact O-CB 3.38Å; V346-N349 PolarHBondContact O-N 3.43Å; V346-N349 VanDerWaalsContact O-N 3.16Å; V346-Q350 HydrophobicContact CG1-CG 4.15Å; V346-Q350 WeakPolarHBondContact O-CG 3.07Å; V346-Q350 PolarHBondContact O-N 3.17Å
347R95.2Very high92.6Very high0 Ų028.6 Ų28.60%014%0.135CC..Hα-helixtrans-59.9-44.8-179.2175.6-179.4174.7-134.93.7111.8I126 R127 H128 E131 F331 F337 L339 D344 N349 Q350 I351I126-R347 HydrophobicContact CG2-CB 4.15Å; I126-R347 HydrophobicContact CG2-CG 4.27Å; R127-R347 WeakPolarHBondContact O-CD 3.41Å; H128-R347 VanDerWaalsContact CD2-CZ 3.44Å; H128-R347 PolarHBondContact CD2-NH1 3.13Å; E131-R347 IonicContact OE1-CZ 3.38Å; E131-R347 IonicContact OE1-NH2 3.45Å; E131-R347 PolarHBondContact OE1-NH2 2.85Å; E131-R347 IonicContact OE2-CZ 3.57Å; E131-R347 VanDerWaalsContact OE2-CZ 3.32Å; E131-R347 IonicContact OE2-NE 3.44Å; E131-R347 PolarHBondContact OE2-NE 3.41Å; E131-R347 VanDerWaalsContact OE2-NE 3.12Å; E131-R347 IonicContact OE2-NH2 2.66Å; E131-R347 PolarHBondContact OE2-NH2 2.73Å; F331-R347 HydrophobicContact CE1-CG 4.3Å; F331-R347 HydrophobicContact CZ-CG 4.24Å; F337-R347 PolarHBondContact O-NH1 3.25Å; F337-R347 PolarHBondContact O-NH2 2.7Å; L339-R347 HydrophobicContact CD1-CG 4.24Å; D344-R347 HydrophobicContact CB-CB 3.98Å; D344-R347 PolarHBondContact O-N 2.8Å; D344-R347 WeakPolarHBondContact OD1-CD 3.36Å; D344-R347 IonicContact OD1-NH1 3.9Å; D344-R347 IonicContact OD2-NH1 3.33Å; D344-R347 PolarHBondContact OD2-NH1 2.79Å; D344-R347 VanDerWaalsContact OD2-NH1 3.11Å; R347-N349 VanDerWaalsContact C-N 3.33Å; R347-N349 PolarHBondContact O-N 2.98Å; R347-Q350 PolarHBondContact O-N 2.84Å; R347-I351 HydrophobicContact CG-CD1 3.82Å; R347-I351 HydrophobicContact CG-CG1 4.43Å; R347-I351 VanDerWaalsContact O-CG1 3.23Å; R347-I351 WeakPolarHBondContact O-CG1 3.45Å; R347-I351 PolarHBondContact O-N 3.18Å
348I96.2Very high93Very high3 Ų326.3 Ų26.32%0.01513%0.126CC..Hα-helixtrans-58-47.7175-71.6165000110.1L339 L341 D344 V346 Q350 I351 Y352 K613 L614 I617L339-I348 HydrophobicContact CD1-CD1 4.49Å; L339-I348 HydrophobicContact CD1-CG1 3.56Å; L339-I348 HydrophobicContact CD2-CG1 3.99Å; L339-I348 HydrophobicContact CG-CD1 4.25Å; L339-I348 HydrophobicContact CG-CG1 3.65Å; L341-I348 HydrophobicContact CG-CD1 4.26Å; D344-I348 HydrophobicContact CB-CD1 4.07Å; D344-I348 HydrophobicContact CB-CG1 3.99Å; D344-I348 VanDerWaalsContact O-CB 3.26Å; D344-I348 WeakPolarHBondContact O-CB 3.48Å; D344-I348 WeakPolarHBondContact O-CD1 3.43Å; D344-I348 WeakPolarHBondContact O-CG1 3.39Å; D344-I348 PolarHBondContact O-N 3.44Å; V346-I348 PolarHBondContact O-N 3.4Å; I348-Q350 PolarHBondContact O-N 2.85Å; I348-I351 PolarHBondContact O-N 2.82Å; I348-Y352 WeakPolarHBondContact O-CB 3.24Å; I348-Y352 PolarHBondContact O-N 2.82Å; I348-K613 HydrophobicContact CG2-CB 4.05Å; I348-L614 HydrophobicContact CD1-CD2 4.13Å; I348-L614 HydrophobicContact CG1-CD2 4.24Å; I348-L614 HydrophobicContact CG2-CD2 4.22Å; I348-L614 HydrophobicContact CG2-CG 4.41Å; I348-I617 HydrophobicContact CG2-CD1 4.11Å
349N96.4Very high93.5Very high1 Ų123.5 Ų23.51%0.00511%0.111CC..Hα-helixtrans-60.3-45.7178.9-171.758.7000112L278 I279 S281 P345 V346 R347 I351 Y352 E353 K613L278-N349 PolarHBondContact O-ND2 2.79Å; I279-N349 WeakPolarHBondContact O-CB 3.03Å; I279-N349 PolarHBondContact O-ND2 2.88Å; I279-N349 PolarHBondContact O-OD1 3.37Å; S281-N349 PolarHBondContact N-ND2 3.13Å; S281-N349 PolarHBondContact OG-ND2 3.12Å; S281-N349 PolarHBondContact OG-OD1 3.37Å; P345-N349 WeakPolarHBondContact O-CB 3.49Å; P345-N349 PolarHBondContact O-N 3Å; V346-N349 WeakPolarHBondContact O-CB 3.38Å; V346-N349 PolarHBondContact O-N 3.43Å; V346-N349 VanDerWaalsContact O-N 3.16Å; R347-N349 VanDerWaalsContact C-N 3.33Å; R347-N349 PolarHBondContact O-N 2.98Å; N349-I351 PolarHBondContact O-N 2.9Å; N349-Y352 WeakPolarHBondContact O-CB 3.21Å; N349-Y352 PolarHBondContact O-N 3.13Å; N349-E353 WeakPolarHBondContact O-CB 3.31Å; N349-E353 VanDerWaalsContact O-CG 3.32Å; N349-E353 WeakPolarHBondContact O-CG 3.37Å; N349-E353 PolarHBondContact O-N 3.48Å; N349-K613 WeakPolarHBondContact OD1-CE 3.4Å; N349-K613 PolarHBondContact OD1-NZ 2.91Å
350Q97.3Very high93.6Very high1 Ų121.3 Ų21.31%0.00510%0.1CC..Hα-helixtrans-68.4-34.2179.6-62.8-57.5-31.400112.9P98 D99 I126 F331 V346 R347 I348 Q354P98-Q350 HydrophobicContact CB-CB 4.34Å; P98-Q350 VanDerWaalsContact CB-O 3.31Å; P98-Q350 WeakPolarHBondContact CB-O 3.44Å; P98-Q350 HydrophobicContact CG-CB 4.15Å; D99-Q350 PolarHBondContact OD2-NE2 3.16Å; I126-Q350 HydrophobicContact CD1-CG 4.35Å; F331-Q350 HydrophobicContact CE2-CB 3.8Å; F331-Q350 HydrophobicContact CZ-CB 4.2Å; V346-Q350 HydrophobicContact CG1-CG 4.15Å; V346-Q350 WeakPolarHBondContact O-CG 3.07Å; V346-Q350 PolarHBondContact O-N 3.17Å; R347-Q350 PolarHBondContact O-N 2.84Å; I348-Q350 PolarHBondContact O-N 2.85Å; Q350-Q354 PolarHBondContact O-N 3.48Å
351I98Very high93.9Very high0 Ų019.2 Ų19.20%09%0.089CC..Hα-helixtrans-66.7-46.3172.7-65.4166.2000110F331 F336 L339 R347 I348 N349 E353 Q354 A355 I617 W620F331-I351 HydrophobicContact CD1-CG1 4.1Å; F331-I351 HydrophobicContact CD2-CG1 4.1Å; F331-I351 HydrophobicContact CE1-CD1 4.09Å; F331-I351 HydrophobicContact CE1-CG1 3.59Å; F331-I351 HydrophobicContact CE2-CB 4.38Å; F331-I351 HydrophobicContact CE2-CG1 3.61Å; F331-I351 HydrophobicContact CG-CG1 4.34Å; F331-I351 HydrophobicContact CZ-CB 4.49Å; F331-I351 HydrophobicContact CZ-CD1 4.18Å; F331-I351 HydrophobicContact CZ-CG1 3.34Å; F336-I351 HydrophobicContact CB-CD1 4.41Å; F336-I351 HydrophobicContact CD1-CD1 3.73Å; F336-I351 HydrophobicContact CD1-CG1 4.27Å; F336-I351 HydrophobicContact CD2-CD1 4.17Å; F336-I351 HydrophobicContact CD2-CG2 4.05Å; F336-I351 HydrophobicContact CE1-CD1 4.03Å; F336-I351 HydrophobicContact CE1-CG1 4.05Å; F336-I351 HydrophobicContact CE1-CG2 4.39Å; F336-I351 HydrophobicContact CE2-CD1 4.45Å; F336-I351 HydrophobicContact CE2-CG2 3.53Å; F336-I351 HydrophobicContact CG-CD1 3.82Å; F336-I351 HydrophobicContact CZ-CD1 4.39Å; F336-I351 HydrophobicContact CZ-CG1 4.21Å; F336-I351 HydrophobicContact CZ-CG2 3.73Å; L339-I351 HydrophobicContact CD1-CD1 3.74Å; L339-I351 HydrophobicContact CD2-CD1 4.46Å; R347-I351 HydrophobicContact CG-CD1 3.82Å; R347-I351 HydrophobicContact CG-CG1 4.43Å; R347-I351 VanDerWaalsContact O-CG1 3.23Å; R347-I351 WeakPolarHBondContact O-CG1 3.45Å; R347-I351 PolarHBondContact O-N 3.18Å; I348-I351 PolarHBondContact O-N 2.82Å; N349-I351 PolarHBondContact O-N 2.9Å; I351-E353 VanDerWaalsContact C-N 3.3Å; I351-E353 PolarHBondContact O-N 3.07Å; I351-Q354 PolarHBondContact O-N 2.96Å; I351-A355 WeakPolarHBondContact O-CB 3.33Å; I351-A355 PolarHBondContact O-N 2.78Å; I351-I617 HydrophobicContact CB-CD1 3.93Å; I351-I617 HydrophobicContact CB-CG1 4.47Å; I351-I617 HydrophobicContact CG2-CD1 3.74Å; I351-I617 HydrophobicContact CG2-CG1 3.84Å; I351-I617 HydrophobicContact CG2-CG2 3.95Å; I351-W620 HydrophobicContact CG2-CZ3 3.99Å
352Y97.5Very high94.1Very high6 Ų617.6 Ų17.62%0.0248%0.079CC..Hα-helixtrans-55.4-46.3176.2158.5-105.9000111.2I348 N349 A355 K356 V381 K613 Y616I348-Y352 WeakPolarHBondContact O-CB 3.24Å; I348-Y352 PolarHBondContact O-N 2.82Å; N349-Y352 WeakPolarHBondContact O-CB 3.21Å; N349-Y352 PolarHBondContact O-N 3.13Å; Y352-A355 WeakPolarHBondContact O-CB 3.35Å; Y352-A355 PolarHBondContact O-N 3.01Å; Y352-K356 WeakPolarHBondContact O-CB 3.49Å; Y352-K356 PolarHBondContact O-N 2.97Å; Y352-V381 HydrophobicContact CE1-CG1 4.26Å; Y352-V381 HydrophobicContact CE2-CG2 4.45Å; Y352-K613 HydrophobicContact CD1-CD 4.3Å; Y352-K613 HydrophobicContact CD1-CG 4.04Å; Y352-K613 HydrophobicContact CD2-CB 4.42Å; Y352-K613 HydrophobicContact CD2-CG 4.29Å; Y352-K613 HydrophobicContact CG-CB 4.21Å; Y352-K613 HydrophobicContact CG-CD 4.49Å; Y352-K613 HydrophobicContact CG-CG 3.92Å; Y352-Y616 AromaticContact CD2-CD1 3.93Å; Y352-Y616 HydrophobicContact CD2-CD1 3.93Å; Y352-Y616 HydrophobicContact CD2-CD2 4.17Å; Y352-Y616 AromaticContact CD2-CG 3.7Å; Y352-Y616 HydrophobicContact CD2-CG 3.7Å; Y352-Y616 HydrophobicContact CE2-CD1 4.16Å; Y352-Y616 AromaticContact CE2-CD2 3.64Å; Y352-Y616 HydrophobicContact CE2-CD2 3.64Å; Y352-Y616 HydrophobicContact CE2-CE2 4.13Å; Y352-Y616 AromaticContact CE2-CG 3.68Å; Y352-Y616 HydrophobicContact CE2-CG 3.68Å
353E96.4Very high94.4Very high6 Ų614.7 Ų14.73%0.0287%0.068CC..Hα-helixtrans-64.3-43.5178.5-75.6-72.6150.900112.3D99 S281 N349 I351 A355 K356 W357D99-E353 HydrophobicContact CB-CB 3.97Å; D99-E353 HydrophobicContact CB-CG 3.62Å; S281-E353 WeakPolarHBondContact CB-OE1 3.23Å; S281-E353 VanDerWaalsContact OG-CG 3.22Å; S281-E353 WeakPolarHBondContact OG-CG 3.45Å; S281-E353 PolarHBondContact OG-OE1 3.33Å; N349-E353 WeakPolarHBondContact O-CB 3.31Å; N349-E353 VanDerWaalsContact O-CG 3.32Å; N349-E353 WeakPolarHBondContact O-CG 3.37Å; N349-E353 PolarHBondContact O-N 3.48Å; I351-E353 VanDerWaalsContact C-N 3.3Å; I351-E353 PolarHBondContact O-N 3.07Å; E353-A355 VanDerWaalsContact C-N 3.3Å; E353-A355 PolarHBondContact O-N 3.23Å; E353-K356 WeakPolarHBondContact O-CB 3.47Å; E353-K356 PolarHBondContact O-N 3.15Å; E353-K356 IonicContact OE1-NZ 3.4Å; E353-K356 PolarHBondContact OE1-NZ 2.71Å; E353-K356 WeakPolarHBondContact OE2-CE 3.18Å; E353-K356 IonicContact OE2-NZ 2.84Å; E353-K356 PolarHBondContact OE2-NZ 3.38Å; E353-W357 PolarHBondContact O-N 2.9Å; E353-W357 PolarHBondContact OE2-NE1 2.89Å
354Q96.7Very high94.7Very high22 Ų2211.7 Ų11.710%0.1036%0.057CC..Hα-helixtrans-61.8-40174.6-163.5168-67.400112.2P98 F331 Q350 I351 W357 A358P98-Q354 HydrophobicContact CB-CB 4.12Å; F331-Q354 PolarHBondContact O-NE2 2.78Å; Q350-Q354 PolarHBondContact O-N 3.48Å; I351-Q354 PolarHBondContact O-N 2.96Å; Q354-W357 PolarHBondContact O-N 2.64Å; Q354-A358 WeakPolarHBondContact O-CB 3.33Å; Q354-A358 PolarHBondContact O-N 3.15Å
355A97.3Very high94.7Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-63.2-44.9175.100000111.2I351 Y352 E353 W357 A358 I359 Y616 W620I351-A355 WeakPolarHBondContact O-CB 3.33Å; I351-A355 PolarHBondContact O-N 2.78Å; Y352-A355 WeakPolarHBondContact O-CB 3.35Å; Y352-A355 PolarHBondContact O-N 3.01Å; E353-A355 VanDerWaalsContact C-N 3.3Å; E353-A355 PolarHBondContact O-N 3.23Å; A355-W357 PolarHBondContact O-N 3.21Å; A355-A358 PolarHBondContact O-N 2.81Å; A355-I359 WeakPolarHBondContact O-CG1 3.27Å; A355-I359 PolarHBondContact O-N 3.36Å; A355-I359 VanDerWaalsContact O-N 3.1Å; A355-Y616 HydrophobicContact CB-CD1 3.92Å; A355-Y616 HydrophobicContact CB-CE1 3.79Å; A355-W620 HydrophobicContact CB-CB 4.04Å; A355-W620 HydrophobicContact CB-CD2 3.41Å; A355-W620 VanDerWaalsContact CB-CD2 3.41Å; A355-W620 HydrophobicContact CB-CE3 3.44Å; A355-W620 VanDerWaalsContact CB-CE3 3.44Å; A355-W620 HydrophobicContact CB-CG 3.68Å; A355-W620 HydrophobicContact CB-CZ3 4.01Å
356K95.2Very high94.6Very high15 Ų1514.3 Ų14.37%0.0657%0.07CC..Hα-helixtrans-54-52176.2-175-177.369.8-1720111Y352 E353 A358 I359 L360 Q378 Y616Y352-K356 WeakPolarHBondContact O-CB 3.49Å; Y352-K356 PolarHBondContact O-N 2.97Å; E353-K356 WeakPolarHBondContact O-CB 3.47Å; E353-K356 PolarHBondContact O-N 3.15Å; E353-K356 IonicContact OE1-NZ 3.4Å; E353-K356 PolarHBondContact OE1-NZ 2.71Å; E353-K356 WeakPolarHBondContact OE2-CE 3.18Å; E353-K356 IonicContact OE2-NZ 2.84Å; E353-K356 PolarHBondContact OE2-NZ 3.38Å; K356-A358 PolarHBondContact O-N 2.99Å; K356-I359 PolarHBondContact O-N 3.17Å; K356-L360 HydrophobicContact CD-CD1 4.37Å; K356-L360 HydrophobicContact CG-CD1 3.8Å; K356-L360 HydrophobicContact CG-CG 4.34Å; K356-L360 WeakPolarHBondContact O-CB 3.43Å; K356-L360 WeakPolarHBondContact O-CG 3.48Å; K356-L360 PolarHBondContact O-N 3.05Å; K356-Q378 HydrophobicContact CD-CG 4.28Å; K356-Y616 WeakPolarHBondContact CA-OH 3.22Å
357W93.5Very high94.5Very high26 Ų2616.3 Ų16.310%0.0988%0.083CC..Hα-helixtrans-65-38.6179.2-59.7122.9000113P98 L100 V284 L290 E353 Q354 A355 I359 L360 L361P98-W357 PolarHBondContact O-NE1 2.68Å; L100-W357 HydrophobicContact CD1-CD2 4.36Å; L100-W357 HydrophobicContact CD1-CH2 3.84Å; L100-W357 HydrophobicContact CD1-CZ2 3.42Å; L100-W357 VanDerWaalsContact CD1-CZ2 3.42Å; L100-W357 HydrophobicContact CD1-CZ3 4.46Å; L100-W357 HydrophobicContact CG-CZ2 3.89Å; V284-W357 HydrophobicContact CB-CH2 4.17Å; V284-W357 HydrophobicContact CB-CZ2 4.49Å; V284-W357 HydrophobicContact CG1-CH2 4.38Å; V284-W357 HydrophobicContact CG2-CH2 4.16Å; V284-W357 HydrophobicContact CG2-CZ2 3.97Å; L290-W357 HydrophobicContact CD1-CZ3 3.96Å; E353-W357 PolarHBondContact O-N 2.9Å; E353-W357 PolarHBondContact OE2-NE1 2.89Å; Q354-W357 PolarHBondContact O-N 2.64Å; A355-W357 PolarHBondContact O-N 3.21Å; W357-I359 VanDerWaalsContact C-N 3.27Å; W357-I359 PolarHBondContact O-N 3.46Å; W357-L360 HydrophobicContact CE3-CD1 4.01Å; W357-L360 HydrophobicContact CZ3-CD1 3.88Å; W357-L360 PolarHBondContact O-N 3.18Å; W357-L361 HydrophobicContact CB-CD1 4.36Å; W357-L361 WeakPolarHBondContact O-CB 3.26Å; W357-L361 VanDerWaalsContact O-CG 3.27Å; W357-L361 WeakPolarHBondContact O-CG 3.28Å; W357-L361 PolarHBondContact O-N 2.94Å
358A94.8Very high94.3Very high5 Ų517.7 Ų17.74%0.0419%0.089CC..Hα-helixtrans-60.1-36.9176.900000112.6Q354 A355 K356 E363 I364Q354-A358 WeakPolarHBondContact O-CB 3.33Å; Q354-A358 PolarHBondContact O-N 3.15Å; A355-A358 PolarHBondContact O-N 2.81Å; K356-A358 PolarHBondContact O-N 2.99Å; A358-E363 PolarHBondContact O-N 3.4Å; A358-I364 HydrophobicContact CB-CD1 4.41Å; A358-I364 HydrophobicContact CB-CG1 4.42Å; A358-I364 PolarHBondContact O-N 3.37Å
359I95Very high94.1Very high2 Ų219.2 Ų19.21%0.0110%0.096CC..Hα-helixtrans-74.8-52.5175.7-60.2-56.4000111.1A355 K356 W357 L361 E362 F374 P580 Y616 L623A355-I359 WeakPolarHBondContact O-CG1 3.27Å; A355-I359 PolarHBondContact O-N 3.36Å; A355-I359 VanDerWaalsContact O-N 3.1Å; K356-I359 PolarHBondContact O-N 3.17Å; W357-I359 VanDerWaalsContact C-N 3.27Å; W357-I359 PolarHBondContact O-N 3.46Å; I359-L361 VanDerWaalsContact C-N 3.29Å; I359-L361 PolarHBondContact O-N 3.2Å; I359-E362 PolarHBondContact O-N 2.92Å; I359-E362 VanDerWaalsContact O-N 3.1Å; I359-F374 HydrophobicContact CD1-CD2 4.31Å; I359-F374 HydrophobicContact CD1-CE2 3.9Å; I359-F374 HydrophobicContact CD1-CZ 4.15Å; I359-F374 HydrophobicContact CG1-CD2 4.22Å; I359-F374 HydrophobicContact CG1-CE2 4.21Å; I359-F374 HydrophobicContact CG1-CG 4.43Å; I359-F374 HydrophobicContact CG1-CZ 4.35Å; I359-F374 HydrophobicContact CG2-CB 4.45Å; I359-F374 HydrophobicContact CG2-CD2 4.04Å; I359-F374 HydrophobicContact CG2-CG 4.36Å; I359-P580 HydrophobicContact CG2-CG 4.09Å; I359-Y616 HydrophobicContact CG1-CE1 4.46Å; I359-L623 HydrophobicContact CD1-CD1 3.42Å; I359-L623 VanDerWaalsContact CD1-CD1 3.42Å
360L92.1Very high93.9Very high4 Ų420.6 Ų20.62%0.02110%0.103CC..Hα-helixtrans-62.7-35.1-175.8-70.3178.3000112.9R295 K356 W357 E362 E577 Y578R295-L360 PolarHBondContact NH1-O 2.92Å; K356-L360 HydrophobicContact CD-CD1 4.37Å; K356-L360 HydrophobicContact CG-CD1 3.8Å; K356-L360 HydrophobicContact CG-CG 4.34Å; K356-L360 WeakPolarHBondContact O-CB 3.43Å; K356-L360 WeakPolarHBondContact O-CG 3.48Å; K356-L360 PolarHBondContact O-N 3.05Å; W357-L360 HydrophobicContact CE3-CD1 4.01Å; W357-L360 HydrophobicContact CZ3-CD1 3.88Å; W357-L360 PolarHBondContact O-N 3.18Å; L360-E362 VanDerWaalsContact C-N 3.29Å; L360-E577 WeakPolarHBondContact CD1-O 3.49Å; L360-Y578 VanDerWaalsContact CD2-C 3.45Å
361L91.4Very high93.8Very high12 Ų1220.6 Ų20.66%0.06310%0.103CC..THydrogen-bonded Turntrans-861.5179.6-60.7177.8000113.5L290 L293 R295 W357 I359 E363L290-L361 HydrophobicContact CD1-CD2 4.44Å; L293-L361 HydrophobicContact CB-CD1 4.26Å; L293-L361 HydrophobicContact CB-CD2 3.59Å; L293-L361 HydrophobicContact CD1-CD1 4.3Å; L293-L361 HydrophobicContact CD1-CD2 4.07Å; L293-L361 HydrophobicContact CG-CD2 4.49Å; R295-L361 HydrophobicContact CG-CB 4.45Å; R295-L361 HydrophobicContact CG-CD2 4.08Å; W357-L361 HydrophobicContact CB-CD1 4.36Å; W357-L361 WeakPolarHBondContact O-CB 3.26Å; W357-L361 VanDerWaalsContact O-CG 3.27Å; W357-L361 WeakPolarHBondContact O-CG 3.28Å; W357-L361 PolarHBondContact O-N 2.94Å; I359-L361 VanDerWaalsContact C-N 3.29Å; I359-L361 PolarHBondContact O-N 3.2Å; L361-E363 HydrophobicContact CB-CG 4.17Å; L361-E363 PolarHBondContact O-N 3.28Å
362E92.3Very high93.5Very high38 Ų3820.9 Ų20.918%0.17810%0.104CC..THydrogen-bonded Turntrans58.730.1-178.6-58.3173-149.700112.3I359 L360 I364 P580 L581 K582I359-E362 PolarHBondContact O-N 2.92Å; I359-E362 VanDerWaalsContact O-N 3.1Å; L360-E362 VanDerWaalsContact C-N 3.29Å; E362-I364 VanDerWaalsContact C-N 3.29Å; E362-P580 HydrophobicContact CG-CB 3.83Å; E362-L581 PolarHBondContact OE1-N 3.23Å; E362-L581 VanDerWaalsContact OE1-N 3.08Å; E362-K582 HydrophobicContact CG-CD 4.47Å; E362-K582 PolarHBondContact OE1-N 3.39Å
363E92.3Very high93.3Very high63 Ų6320.8 Ų20.829%0.29410%0.104SC..SBendtrans-68.4-35.7170.5-63.6-170.9167.700110.7P296 K302 I305 A358 L361P296-E363 HydrophobicContact CG-CB 4.39Å; P296-E363 HydrophobicContact CG-CG 4.03Å; K302-E363 VanDerWaalsContact CE-O 3.27Å; K302-E363 WeakPolarHBondContact CE-O 3.36Å; I305-E363 HydrophobicContact CD1-CG 4.02Å; A358-E363 PolarHBondContact O-N 3.4Å; L361-E363 HydrophobicContact CB-CG 4.17Å; L361-E363 PolarHBondContact O-N 3.28Å
364I92.7Very high93.3Very high19 Ų1920.6 Ų20.610%0.09710%0.103CC..SBendtrans-118.4129.2173.9-61.6-172.1000108.8A358 E362 W620 L623 E625A358-I364 HydrophobicContact CB-CD1 4.41Å; A358-I364 HydrophobicContact CB-CG1 4.42Å; A358-I364 PolarHBondContact O-N 3.37Å; E362-I364 VanDerWaalsContact C-N 3.29Å; I364-W620 HydrophobicContact CD1-CZ2 4.48Å; I364-W620 VanDerWaalsContact CD1-NE1 3.3Å; I364-L623 HydrophobicContact CG2-CB 4.13Å; I364-L623 HydrophobicContact CG2-CD1 3.65Å; I364-E625 HydrophobicContact CG2-CB 4.25Å
365D90.3Very high93.2Very high65 Ų6519.6 Ų19.635%0.34810%0.098SC..  trans-77.1133.3177.6-74.4-65.6000111.6K302 K582K302-D365 IonicContact NZ-OD2 3.72Å; K302-D365 PolarHBondContact NZ-OD2 3.47Å; D365-K582 IonicContact OD1-NZ 3.16Å; D365-K582 PolarHBondContact OD1-NZ 2.98Å
366S91.7Very high93Very high11 Ų1119.6 Ų19.68%0.07710%0.099CC..  trans-120.9162.3170.246.90000110E370 Y583S366-E370 WeakPolarHBondContact CA-OE2 3.28Å; S366-Y583 PolarHBondContact O-OH 2.91Å
367T91.9Very high93Very high44 Ų4418.9 Ų18.927%0.2710%0.095SC..  trans-73.6171.1166700000111E370 A371T367-E370 PolarHBondContact N-OE2 2.87Å; T367-E370 WeakPolarHBondContact OG1-CB 3.4Å; T367-E370 WeakPolarHBondContact OG1-CG 3.12Å; T367-E370 PolarHBondContact OG1-N 3.45Å; T367-E370 VanDerWaalsContact OG1-N 3.08Å; T367-E370 PolarHBondContact OG1-OE2 2.92Å; T367-A371 WeakPolarHBondContact O-CB 3.43Å; T367-A371 PolarHBondContact O-N 3.41Å
368E91.1Very high93Very high28 Ų2818.4 Ų18.413%0.1319%0.094CC..Hα-helixtrans-64.9-44.5176.5-173.6169.7171.600110.7A371 F372 Y583 K586 R596E368-A371 WeakPolarHBondContact O-CB 3.48Å; E368-A371 PolarHBondContact O-N 3.31Å; E368-F372 HydrophobicContact CG-CD2 4.08Å; E368-F372 HydrophobicContact CG-CE2 3.86Å; E368-F372 WeakPolarHBondContact O-CD2 3.47Å; E368-F372 PolarHBondContact O-N 2.81Å; E368-F372 VanDerWaalsContact O-N 3.08Å; E368-Y583 HydrophobicContact CB-CD1 4.07Å; E368-Y583 HydrophobicContact CB-CE1 3.7Å; E368-Y583 HydrophobicContact CG-CD1 3.92Å; E368-Y583 HydrophobicContact CG-CE1 4.09Å; E368-K586 IonicContact OE1-NZ 3.82Å; E368-K586 IonicContact OE2-NZ 3.52Å; E368-K586 PolarHBondContact OE2-NZ 2.87Å; E368-R596 IonicContact OE1-CZ 3.8Å; E368-R596 IonicContact OE1-NH1 3.86Å; E368-R596 PolarHBondContact OE1-NH1 3.38Å; E368-R596 IonicContact OE1-NH2 3.88Å; E368-R596 PolarHBondContact OE1-NH2 3.1Å
369E91.4Very high92.8Very high36 Ų3618.2 Ų18.217%0.1689%0.092CC..Hα-helixtrans-62.8-43178.1-65.168.7-151.600111.7A371 F372 M373 L488 P489 Q553E369-A371 PolarHBondContact O-N 3.48Å; E369-F372 PolarHBondContact O-N 3.22Å; E369-M373 PolarHBondContact O-N 3.1Å; E369-L488 HydrophobicContact CB-CD1 4.26Å; E369-L488 HydrophobicContact CG-CD1 4.36Å; E369-P489 WeakPolarHBondContact OE1-CG 3.28Å; E369-Q553 HydrophobicContact CB-CB 4.38Å
370E93.7Very high92.7Very high30 Ų3018.3 Ų18.314%0.149%0.093CC..Hα-helixtrans-61.8-42.1173.8-74.4169.2164.900111.7S366 T367 F372 M373 F374 L623S366-E370 WeakPolarHBondContact CA-OE2 3.28Å; T367-E370 PolarHBondContact N-OE2 2.87Å; T367-E370 WeakPolarHBondContact OG1-CB 3.4Å; T367-E370 WeakPolarHBondContact OG1-CG 3.12Å; T367-E370 PolarHBondContact OG1-N 3.45Å; T367-E370 VanDerWaalsContact OG1-N 3.08Å; T367-E370 PolarHBondContact OG1-OE2 2.92Å; E370-F372 PolarHBondContact O-N 3.44Å; E370-M373 HydrophobicContact CG-CE 4.47Å; E370-M373 WeakPolarHBondContact O-CB 3.27Å; E370-M373 PolarHBondContact O-N 3.24Å; E370-F374 HydrophobicContact CB-CD2 4.5Å; E370-F374 HydrophobicContact CB-CE2 4.28Å; E370-F374 WeakPolarHBondContact O-CD2 3.46Å; E370-F374 PolarHBondContact O-N 3.24Å; E370-L623 VanDerWaalsContact CD-CD2 3.47Å; E370-L623 HydrophobicContact CG-CD2 4.43Å; E370-L623 VanDerWaalsContact OE2-CD2 3.24Å; E370-L623 WeakPolarHBondContact OE2-CD2 3.46Å
371A93.7Very high92.6Very high0 Ų018.8 Ų18.80%010%0.096CC..Hα-helixtrans-62.1-41.2178.400000112.4T367 E368 E369 F374 A375 L579 P580 Y583T367-A371 WeakPolarHBondContact O-CB 3.43Å; T367-A371 PolarHBondContact O-N 3.41Å; E368-A371 WeakPolarHBondContact O-CB 3.48Å; E368-A371 PolarHBondContact O-N 3.31Å; E369-A371 PolarHBondContact O-N 3.48Å; A371-F374 PolarHBondContact O-N 2.76Å; A371-A375 WeakPolarHBondContact O-CB 3.48Å; A371-A375 PolarHBondContact O-N 3.31Å; A371-L579 HydrophobicContact CB-CD2 4.09Å; A371-L579 WeakPolarHBondContact O-CD2 3.35Å; A371-P580 HydrophobicContact CB-CG 4.25Å; A371-Y583 HydrophobicContact CB-CD2 3.56Å; A371-Y583 HydrophobicContact CB-CE2 3.65Å; A371-Y583 HydrophobicContact CB-CG 4.5Å
372F92.5Very high92.5Very high7 Ų720 Ų203%0.03110%0.101CC..Hα-helixtrans-67.9-37.2174.5-80.9-75.3000112.6E368 E369 E370 A375 A376 L579 I587 I593 R596 V597 A600E368-F372 HydrophobicContact CG-CD2 4.08Å; E368-F372 HydrophobicContact CG-CE2 3.86Å; E368-F372 WeakPolarHBondContact O-CD2 3.47Å; E368-F372 PolarHBondContact O-N 2.81Å; E368-F372 VanDerWaalsContact O-N 3.08Å; E369-F372 PolarHBondContact O-N 3.22Å; E370-F372 PolarHBondContact O-N 3.44Å; F372-A375 PolarHBondContact O-N 2.9Å; F372-A376 WeakPolarHBondContact O-CB 3.25Å; F372-A376 PolarHBondContact O-N 3.47Å; F372-L579 HydrophobicContact CD1-CD1 4.35Å; F372-L579 HydrophobicContact CD1-CD2 4.24Å; F372-L579 HydrophobicContact CE1-CD1 3.71Å; F372-L579 HydrophobicContact CE1-CD2 4.3Å; F372-L579 HydrophobicContact CG-CD2 4.44Å; F372-L579 HydrophobicContact CZ-CD1 4.02Å; F372-I587 HydrophobicContact CE2-CD1 4.24Å; F372-I587 HydrophobicContact CZ-CD1 3.59Å; F372-I593 HydrophobicContact CE1-CG2 4.42Å; F372-R596 HydrophobicContact CD1-CB 4.09Å; F372-R596 HydrophobicContact CD1-CG 3.86Å; F372-R596 HydrophobicContact CD2-CG 4.42Å; F372-R596 HydrophobicContact CE1-CB 3.66Å; F372-R596 HydrophobicContact CE1-CG 3.73Å; F372-R596 HydrophobicContact CE2-CG 4.33Å; F372-R596 HydrophobicContact CG-CG 4.23Å; F372-R596 HydrophobicContact CZ-CB 4.18Å; F372-R596 HydrophobicContact CZ-CG 4.02Å; F372-V597 HydrophobicContact CD1-CG2 3.76Å; F372-V597 HydrophobicContact CE1-CG2 3.84Å; F372-A600 HydrophobicContact CB-CB 4.33Å
373M94.1Very high92.3Very high4 Ų419.4 Ų19.42%0.0210%0.099CC..Hα-helixtrans-60.9-45171.8175.6-170.762.200111.5E369 E370 A376 L377 M552 Q553 A619E369-M373 PolarHBondContact O-N 3.1Å; E370-M373 HydrophobicContact CG-CE 4.47Å; E370-M373 WeakPolarHBondContact O-CB 3.27Å; E370-M373 PolarHBondContact O-N 3.24Å; M373-A376 WeakPolarHBondContact O-CB 3.17Å; M373-A376 PolarHBondContact O-N 3.16Å; M373-L377 HydrophobicContact CG-CD1 4.2Å; M373-L377 WeakPolarHBondContact O-CG 3.46Å; M373-L377 PolarHBondContact O-N 2.91Å; M373-M552 HydrophobicContact CG-CB 3.96Å; M373-M552 HydrophobicContact SD-CB 3.76Å; M373-M552 HydrophobicContact SD-CE 4.23Å; M373-Q553 HydrophobicContact CB-CG 4.07Å; M373-Q553 HydrophobicContact CE-CG 4.08Å; M373-Q553 HydrophobicContact CG-CG 4.35Å; M373-Q553 HydrophobicContact SD-CG 3.57Å; M373-Q553 VanDerWaalsContact SD-CG 3.57Å; M373-A619 HydrophobicContact CE-CB 3.66Å
374F96.2Very high92Very high2 Ų221 Ų211%0.00910%0.102CC..Hα-helixtrans-62.2-44.6175.7-75.2-60.4000112I359 E370 A371 A376 L377 Q378 Y616 A619 W620 L623I359-F374 HydrophobicContact CD1-CD2 4.31Å; I359-F374 HydrophobicContact CD1-CE2 3.9Å; I359-F374 HydrophobicContact CD1-CZ 4.15Å; I359-F374 HydrophobicContact CG1-CD2 4.22Å; I359-F374 HydrophobicContact CG1-CE2 4.21Å; I359-F374 HydrophobicContact CG1-CG 4.43Å; I359-F374 HydrophobicContact CG1-CZ 4.35Å; I359-F374 HydrophobicContact CG2-CB 4.45Å; I359-F374 HydrophobicContact CG2-CD2 4.04Å; I359-F374 HydrophobicContact CG2-CG 4.36Å; E370-F374 HydrophobicContact CB-CD2 4.5Å; E370-F374 HydrophobicContact CB-CE2 4.28Å; E370-F374 WeakPolarHBondContact O-CD2 3.46Å; E370-F374 PolarHBondContact O-N 3.24Å; A371-F374 PolarHBondContact O-N 2.76Å; F374-A376 VanDerWaalsContact C-N 3.3Å; F374-A376 PolarHBondContact O-N 3.42Å; F374-L377 PolarHBondContact O-N 2.89Å; F374-Q378 WeakPolarHBondContact O-CB 3.09Å; F374-Q378 PolarHBondContact O-N 3.26Å; F374-Y616 HydrophobicContact CB-CE2 3.76Å; F374-Y616 AromaticContact CD1-CD1 3.94Å; F374-Y616 HydrophobicContact CD1-CD1 3.94Å; F374-Y616 AromaticContact CD1-CD2 3.82Å; F374-Y616 HydrophobicContact CD1-CD2 3.82Å; F374-Y616 AromaticContact CD1-CE1 3.61Å; F374-Y616 HydrophobicContact CD1-CE1 3.61Å; F374-Y616 AromaticContact CD1-CE2 3.51Å; F374-Y616 HydrophobicContact CD1-CE2 3.51Å; F374-Y616 HydrophobicContact CD1-CG 4.01Å; F374-Y616 AromaticContact CD1-CZ 3.36Å; F374-Y616 HydrophobicContact CE1-CD1 4.07Å; F374-Y616 AromaticContact CE1-CE1 3.9Å; F374-Y616 HydrophobicContact CE1-CE1 3.9Å; F374-Y616 HydrophobicContact CE1-CG 4.41Å; F374-Y616 HydrophobicContact CG-CE2 4.07Å; F374-Y616 AromaticContact CG-CZ 3.93Å; F374-Y616 WeakPolarHBondContact O-CE2 3.34Å; F374-A619 HydrophobicContact CD1-CB 4.4Å; F374-A619 HydrophobicContact CE1-CB 3.53Å; F374-A619 HydrophobicContact CZ-CB 3.8Å; F374-W620 HydrophobicContact CE1-CB 4.32Å; F374-W620 HydrophobicContact CZ-CB 4.48Å; F374-L623 HydrophobicContact CE2-CD1 3.96Å; F374-L623 HydrophobicContact CE2-CD2 4.37Å; F374-L623 HydrophobicContact CE2-CG 4.49Å; F374-L623 HydrophobicContact CZ-CD1 3.96Å; F374-L623 HydrophobicContact CZ-CG 4.35Å
375A93.8Very high91.6Very high0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-58-43175.400000111.9A371 F372 Q378 L379 Y578 L579 V597A371-A375 WeakPolarHBondContact O-CB 3.48Å; A371-A375 PolarHBondContact O-N 3.31Å; F372-A375 PolarHBondContact O-N 2.9Å; A375-Q378 PolarHBondContact O-N 3.47Å; A375-L379 WeakPolarHBondContact O-CB 3.33Å; A375-L379 PolarHBondContact O-N 2.87Å; A375-Y578 WeakPolarHBondContact CB-O 3.09Å; A375-L579 HydrophobicContact CB-CD2 3.85Å; A375-L579 HydrophobicContact CB-CG 4.07Å; A375-V597 HydrophobicContact CB-CG1 4.11Å; A375-V597 HydrophobicContact CB-CG2 4Å
376A93.2Very high91Very high1 Ų124.4 Ų24.41%0.00811%0.113CC..Hα-helixtrans-63.7-43.7176.900000112.6F372 M373 F374 L379 Q380 A600 H601 V604F372-A376 WeakPolarHBondContact O-CB 3.25Å; F372-A376 PolarHBondContact O-N 3.47Å; M373-A376 WeakPolarHBondContact O-CB 3.17Å; M373-A376 PolarHBondContact O-N 3.16Å; F374-A376 VanDerWaalsContact C-N 3.3Å; F374-A376 PolarHBondContact O-N 3.42Å; A376-L379 PolarHBondContact O-N 3.12Å; A376-Q380 WeakPolarHBondContact O-CB 3.23Å; A376-Q380 PolarHBondContact O-N 3.29Å; A376-A600 HydrophobicContact CB-CB 3.79Å; A376-H601 HydrophobicContact CB-CB 4.36Å; A376-V604 HydrophobicContact CB-CG2 3.91Å
377L94.7Very high90.3Very high0 Ų027.1 Ų27.10%013%0.127CC..Hα-helixtrans-64-42175.4-73.2167.1000111.7M373 F374 Q380 V381 M552 V604 L607 A612 Q615 Y616M373-L377 HydrophobicContact CG-CD1 4.2Å; M373-L377 WeakPolarHBondContact O-CG 3.46Å; M373-L377 PolarHBondContact O-N 2.91Å; F374-L377 PolarHBondContact O-N 2.89Å; L377-Q380 PolarHBondContact O-N 3.27Å; L377-V381 WeakPolarHBondContact O-CG2 2.89Å; L377-V381 PolarHBondContact O-N 3.02Å; L377-M552 HydrophobicContact CD2-SD 4.5Å; L377-V604 HydrophobicContact CD2-CB 4.13Å; L377-V604 HydrophobicContact CD2-CG1 3.81Å; L377-V604 HydrophobicContact CG-CG1 4.27Å; L377-L607 HydrophobicContact CD2-CD1 3.91Å; L377-A612 HydrophobicContact CD2-CB 4.48Å; L377-Q615 HydrophobicContact CD1-CB 4.46Å; L377-Q615 HydrophobicContact CD2-CB 3.95Å; L377-Y616 HydrophobicContact CB-CD2 3.77Å; L377-Y616 HydrophobicContact CD1-CD2 4.4Å
378Q93.9Very high89.2Confident16 Ų1629.2 Ų29.28%0.07513%0.134CC..Hα-helixtrans-61.7-45174.8177.3178.2-28.100111.6K356 F374 A375 Q380 V381 Q382 E577 Y578 Y616K356-Q378 HydrophobicContact CD-CG 4.28Å; F374-Q378 WeakPolarHBondContact O-CB 3.09Å; F374-Q378 PolarHBondContact O-N 3.26Å; A375-Q378 PolarHBondContact O-N 3.47Å; Q378-Q380 VanDerWaalsContact C-N 3.31Å; Q378-Q380 PolarHBondContact O-N 2.89Å; Q378-V381 PolarHBondContact O-N 3.35Å; Q378-Q382 PolarHBondContact O-N 2.83Å; Q378-Q382 VanDerWaalsContact O-N 3.07Å; Q378-E577 PolarHBondContact NE2-O 3.06Å; Q378-Y578 HydrophobicContact CB-CD1 3.99Å; Q378-Y578 HydrophobicContact CB-CE1 4.25Å; Q378-Y578 HydrophobicContact CG-CD1 3.67Å; Q378-Y578 HydrophobicContact CG-CE1 3.69Å; Q378-Y616 HydrophobicContact CB-CE2 4.44Å
379L91.1Very high87.7Confident0 Ų032.8 Ų32.80%016%0.158CC..Hα-helixtrans-60.8-41.4175.7178.960.7000111.6A375 A376 V381 Q382 L383 I571 F573 Y578 V597 L598 H601A375-L379 WeakPolarHBondContact O-CB 3.33Å; A375-L379 PolarHBondContact O-N 2.87Å; A376-L379 PolarHBondContact O-N 3.12Å; L379-V381 VanDerWaalsContact C-N 3.34Å; L379-V381 PolarHBondContact O-N 2.66Å; L379-Q382 PolarHBondContact O-N 2.88Å; L379-L383 HydrophobicContact CD1-CD1 4.05Å; L379-L383 HydrophobicContact CD1-CG 4.07Å; L379-L383 HydrophobicContact CD2-CD1 4.46Å; L379-L383 HydrophobicContact CG-CD1 3.83Å; L379-L383 HydrophobicContact CG-CG 4.32Å; L379-L383 WeakPolarHBondContact O-CG 3.32Å; L379-L383 PolarHBondContact O-N 2.78Å; L379-I571 HydrophobicContact CD1-CD1 4.44Å; L379-F573 HydrophobicContact CD1-CD2 4.23Å; L379-F573 HydrophobicContact CD1-CE2 4.38Å; L379-F573 HydrophobicContact CD2-CE2 4.44Å; L379-Y578 HydrophobicContact CB-CD1 4.4Å; L379-Y578 HydrophobicContact CB-CE1 3.95Å; L379-Y578 HydrophobicContact CD1-CE1 4.34Å; L379-V597 HydrophobicContact CD2-CG1 4.14Å; L379-L598 HydrophobicContact CD2-CD2 3.87Å; L379-H601 HydrophobicContact CD2-CB 4.27Å
380Q92Very high85.5Confident5 Ų538.4 Ų38.42%0.02318%0.184CC..Hα-helixtrans-62.5-41176.8-178.762.93.100112.4A376 L377 Q378 Q382 R384 H601 V604 N605 L607 A612A376-Q380 WeakPolarHBondContact O-CB 3.23Å; A376-Q380 PolarHBondContact O-N 3.29Å; L377-Q380 PolarHBondContact O-N 3.27Å; Q378-Q380 VanDerWaalsContact C-N 3.31Å; Q378-Q380 PolarHBondContact O-N 2.89Å; Q380-Q382 VanDerWaalsContact C-N 3.34Å; Q380-R384 HydrophobicContact CG-CG 4.49Å; Q380-R384 WeakPolarHBondContact O-CB 3.45Å; Q380-R384 VanDerWaalsContact O-CG 3.28Å; Q380-R384 WeakPolarHBondContact O-CG 3.38Å; Q380-R384 PolarHBondContact O-N 2.7Å; Q380-R384 VanDerWaalsContact O-N 3.12Å; Q380-H601 PolarHBondContact OE1-NE2 3.05Å; Q380-V604 HydrophobicContact CB-CG2 4.32Å; Q380-N605 PolarHBondContact NE2-O 2.89Å; Q380-L607 PolarHBondContact NE2-O 3.17Å; Q380-A612 HydrophobicContact CB-CB 4.25Å; Q380-A612 HydrophobicContact CG-CB 3.92Å
381V91.5Very high83.1Confident13 Ų1343.2 Ų43.28%0.07921%0.207CC..Hα-helixtrans-60-46.4174.7172.60000110.5Y352 L377 Q378 L379 Y385 M609 A612 K613Y352-V381 HydrophobicContact CE1-CG1 4.26Å; Y352-V381 HydrophobicContact CE2-CG2 4.45Å; L377-V381 WeakPolarHBondContact O-CG2 2.89Å; L377-V381 PolarHBondContact O-N 3.02Å; Q378-V381 PolarHBondContact O-N 3.35Å; L379-V381 VanDerWaalsContact C-N 3.34Å; L379-V381 PolarHBondContact O-N 2.66Å; V381-Y385 PolarHBondContact O-N 2.87Å; V381-Y385 VanDerWaalsContact O-N 3.09Å; V381-M609 HydrophobicContact CG1-CG 4.15Å; V381-A612 HydrophobicContact CG2-CB 3.67Å; V381-K613 HydrophobicContact CG1-CG 4.23Å; V381-K613 HydrophobicContact CG2-CG 3.76Å
382Q88.5Confident80.7Confident37 Ų3749.2 Ų49.217%0.17324%0.243CC..Hα-helixtrans-64.9-47.4-179.6-178.4166.6-21.300112.6Q378 L379 Q380 R384 Y385 E386 I571 Y578Q378-Q382 PolarHBondContact O-N 2.83Å; Q378-Q382 VanDerWaalsContact O-N 3.07Å; L379-Q382 PolarHBondContact O-N 2.88Å; Q380-Q382 VanDerWaalsContact C-N 3.34Å; Q382-R384 VanDerWaalsContact C-N 3.31Å; Q382-R384 PolarHBondContact O-N 2.69Å; Q382-Y385 WeakPolarHBondContact O-CB 3.48Å; Q382-Y385 PolarHBondContact O-N 3.43Å; Q382-E386 WeakPolarHBondContact CG-OE1 3.47Å; Q382-E386 PolarHBondContact NE2-OE1 2.95Å; Q382-E386 PolarHBondContact O-N 3.37Å; Q382-I571 HydrophobicContact CG-CD1 4.21Å; Q382-Y578 PolarHBondContact OE1-OH 3.45Å
383L87.5Confident78.3Confident27 Ų2752.8 Ų52.814%0.14127%0.274CS..Hα-helixtrans-59.8-41.2179.5-73.9167.8000112.3L379 Y385 E386 N387 P569 I571L379-L383 HydrophobicContact CD1-CD1 4.05Å; L379-L383 HydrophobicContact CD1-CG 4.07Å; L379-L383 HydrophobicContact CD2-CD1 4.46Å; L379-L383 HydrophobicContact CG-CD1 3.83Å; L379-L383 HydrophobicContact CG-CG 4.32Å; L379-L383 WeakPolarHBondContact O-CG 3.32Å; L379-L383 PolarHBondContact O-N 2.78Å; L383-Y385 VanDerWaalsContact C-N 3.35Å; L383-E386 PolarHBondContact O-N 3.18Å; L383-N387 PolarHBondContact O-N 3.45Å; L383-N387 VanDerWaalsContact O-N 3.08Å; L383-N387 PolarHBondContact O-OD1 3.13Å; L383-P569 HydrophobicContact CD2-CB 3.84Å; L383-P569 HydrophobicContact CD2-CG 4.5Å; L383-I571 HydrophobicContact CD2-CD1 3.42Å; L383-I571 VanDerWaalsContact CD2-CD1 3.42Å; L383-I571 HydrophobicContact CD2-CG1 4.26Å; L383-I571 HydrophobicContact CG-CD1 4.05Å
384R86.8Confident75.6Confident95 Ų9558.5 Ų58.536%0.35831%0.305SS..Hα-helixtrans-70.1-33178.4-67.5-64.4-174.3176.2-1.3112.5Q380 Q382 M388 N605 L607 M609Q380-R384 HydrophobicContact CG-CG 4.49Å; Q380-R384 WeakPolarHBondContact O-CB 3.45Å; Q380-R384 VanDerWaalsContact O-CG 3.28Å; Q380-R384 WeakPolarHBondContact O-CG 3.38Å; Q380-R384 PolarHBondContact O-N 2.7Å; Q380-R384 VanDerWaalsContact O-N 3.12Å; Q382-R384 VanDerWaalsContact C-N 3.31Å; Q382-R384 PolarHBondContact O-N 2.69Å; R384-M388 PolarHBondContact O-N 3.3Å; R384-N605 PolarHBondContact NH2-O 2.78Å; R384-L607 PolarHBondContact NE-O 3.14Å; R384-M609 HydrophobicContact CB-CB 3.77Å; R384-M609 HydrophobicContact CB-CG 4.34Å
385Y84.1Confident72.8Confident90 Ų9066.5 Ų66.535%0.35334%0.342SS..Hα-helixtrans-65.2-47174.1178.3-103.4000111.8N280 V381 Q382 L383 N387 M388 T389 M609N280-Y385 HydrophobicContact CB-CD2 3.62Å; N280-Y385 HydrophobicContact CB-CE2 3.39Å; V381-Y385 PolarHBondContact O-N 2.87Å; V381-Y385 VanDerWaalsContact O-N 3.09Å; Q382-Y385 WeakPolarHBondContact O-CB 3.48Å; Q382-Y385 PolarHBondContact O-N 3.43Å; L383-Y385 VanDerWaalsContact C-N 3.35Å; Y385-N387 VanDerWaalsContact C-N 3.34Å; Y385-N387 PolarHBondContact O-N 2.94Å; Y385-M388 PolarHBondContact O-N 3.13Å; Y385-T389 PolarHBondContact O-N 2.91Å; Y385-T389 PolarHBondContact O-OG1 3.03Å; Y385-M609 HydrophobicContact CD2-SD 4.33Å
386E77.4Confident70.2Confident66 Ų6672.6 Ų72.631%0.30838%0.384SS..Hα-helixtrans-63.9-37.1178.3-69.6175.4-16800112.1Q382 L383 T389 I571Q382-E386 WeakPolarHBondContact CG-OE1 3.47Å; Q382-E386 PolarHBondContact NE2-OE1 2.95Å; Q382-E386 PolarHBondContact O-N 3.37Å; L383-E386 PolarHBondContact O-N 3.18Å; E386-T389 WeakPolarHBondContact CA-OG1 3.19Å; E386-T389 PolarHBondContact O-N 2.67Å; E386-T389 PolarHBondContact O-OG1 3.45Å; E386-I571 VanDerWaalsContact OE2-CD1 3.27Å; E386-I571 WeakPolarHBondContact OE2-CD1 3.33Å; E386-I571 VanDerWaalsContact OE2-CG1 3.32Å; E386-I571 WeakPolarHBondContact OE2-CG1 3.4Å
387N77.3Confident68Low69 Ų6976.3 Ų76.337%0.36942%0.415SS..Hα-helixtrans-70.7-32.8174.7-70.56.7000112.9L383 Y385 T389 E390 E391L383-N387 PolarHBondContact O-N 3.45Å; L383-N387 VanDerWaalsContact O-N 3.08Å; L383-N387 PolarHBondContact O-OD1 3.13Å; Y385-N387 VanDerWaalsContact C-N 3.34Å; Y385-N387 PolarHBondContact O-N 2.94Å; N387-T389 VanDerWaalsContact C-N 3.27Å; N387-T389 PolarHBondContact O-N 2.66Å; N387-E390 WeakPolarHBondContact O-CA 3.49Å; N387-E390 WeakPolarHBondContact O-CB 3.48Å; N387-E390 PolarHBondContact O-N 2.81Å; N387-E391 PolarHBondContact O-N 2.79Å
388M69.4Low66Low87 Ų8781 Ų8143%0.42944%0.44SS..Hα-helixtrans-62.3-36.3174.2-85.3-161.5-178.900111.8R384 Y385 E390 E391 V392 M609R384-M388 PolarHBondContact O-N 3.3Å; Y385-M388 PolarHBondContact O-N 3.13Å; M388-E390 PolarHBondContact O-N 2.88Å; M388-E390 VanDerWaalsContact O-N 3.12Å; M388-E391 PolarHBondContact O-N 2.8Å; M388-V392 WeakPolarHBondContact O-CG2 3.45Å; M388-V392 PolarHBondContact O-N 2.73Å; M388-V392 VanDerWaalsContact O-N 3.15Å; M388-M609 HydrophobicContact CE-CE 4.01Å; M388-M609 HydrophobicContact SD-CE 3.89Å
389T58.3Low64.4Low103 Ų10386.2 Ų86.263%0.63247%0.468SS*.Hα-helixtrans-61.2-17.3173.128.60000113.4Y385 E386 N387Y385-T389 PolarHBondContact O-N 2.91Å; Y385-T389 PolarHBondContact O-OG1 3.03Å; E386-T389 WeakPolarHBondContact CA-OG1 3.19Å; E386-T389 PolarHBondContact O-N 2.67Å; E386-T389 PolarHBondContact O-OG1 3.45Å; N387-T389 VanDerWaalsContact C-N 3.27Å; N387-T389 PolarHBondContact O-N 2.66Å
390E45.3Very low62.8Low154 Ų15491.1 Ų91.172%0.7250%0.498SS*.Hα-helixtrans-95.4-37.5173.6-59.4-172.6160.700113.1N387 M388N387-E390 WeakPolarHBondContact O-CA 3.49Å; N387-E390 WeakPolarHBondContact O-CB 3.48Å; N387-E390 PolarHBondContact O-N 2.81Å; M388-E390 PolarHBondContact O-N 2.88Å; M388-E390 VanDerWaalsContact O-N 3.12Å
391E43Very low61.3Low132 Ų13295.9 Ų95.962%0.61752%0.524SS*.Hα-helixtrans-83.5-20.4-173.2-71.7-176.2170.600115N387 M388 A393 N394N387-E391 PolarHBondContact O-N 2.79Å; M388-E391 PolarHBondContact O-N 2.8Å; E391-A393 PolarHBondContact O-N 3.5Å; E391-N394 CarbonylContact O-C 3.59Å; E391-N394 PolarHBondContact O-N 3.06Å
392V44.3Very low59.8Low125 Ų125100.5 Ų100.576%0.75855%0.547SS*.THydrogen-bonded Turntrans-60.7-8.7178.3171.30000113M388 N394M388-V392 WeakPolarHBondContact O-CG2 3.45Å; M388-V392 PolarHBondContact O-N 2.73Å; M388-V392 VanDerWaalsContact O-N 3.15Å; V392-N394 VanDerWaalsContact C-N 3.33Å
393A41.7Very low58.5Low83 Ų83103.7 Ų103.769%0.68656%0.564SS**THydrogen-bonded Turntrans-71.4-19.216900000114.6E391E391-A393 PolarHBondContact O-N 3.5Å
394N37.3Very low57.3Low124 Ų124107.5 Ų107.566%0.66358%0.584SS**SBendtrans-152.2101.4-178.4-78.6-40.4000109.9E391 V392E391-N394 CarbonylContact O-C 3.59Å; E391-N394 PolarHBondContact O-N 3.06Å; V392-N394 VanDerWaalsContact C-N 3.33Å
395H37.2Very low56Low169 Ų169107.5 Ų107.578%0.78259%0.591SS**  trans158.7103.5143.1-80-46.7000110
396S40.6Very low54.7Low128 Ų128109.2 Ų109.290%0.89560%0.602SS**SBendtrans-121.226.4173.1590000113.4
397A45.6Very low53.5Low79 Ų79111.3 Ų111.365%0.65362%0.615SS**SBendtrans-134.4-2.6-173.100000117.5
398N54Low52.5Low100 Ų100113.3 Ų113.354%0.53562%0.622SS.*SBendtrans-109.9-2.5-173.1-73.4-4.6000115.9V400 L402N398-V400 PolarHBondContact O-N 3.25Å; N398-L402 PolarHBondContact O-N 3Å
399D59.7Low51.5Low124 Ų124113.5 Ų113.566%0.66363%0.625SS**Hα-helixtrans-73-29.1-174.2-71.8-20.2000113.5M403D399-M403 WeakPolarHBondContact O-CG 3.43Å; D399-M403 PolarHBondContact O-N 3.23Å; D399-M403 VanDerWaalsContact O-N 3.13Å
400V57.5Low51.3Low104 Ų104112.6 Ų112.663%0.6362%0.622SS**Hα-helixtrans-70.5-44.8-176.9-1790000111.4N398 L402 M403 L404N398-V400 PolarHBondContact O-N 3.25Å; V400-L402 VanDerWaalsContact C-N 3.33Å; V400-L402 PolarHBondContact O-N 2.88Å; V400-M403 PolarHBondContact O-N 3.48Å; V400-L404 HydrophobicContact CG1-CD1 4.21Å; V400-L404 WeakPolarHBondContact O-CG 3.33Å; V400-L404 PolarHBondContact O-N 3.08Å
401D59.8Low51.3Low105 Ų105110.1 Ų110.156%0.56161%0.614SS**Hα-helixtrans-69.6-32.7-179.3-67.9-27.9000111.9L404 N405D401-L404 PolarHBondContact O-N 3.13Å; D401-N405 PolarHBondContact O-N 3.15Å
402L60.5Low51.5Low109 Ų109108.4 Ų108.457%0.57161%0.606SS**Hα-helixtrans-70.1-41.4177.9-152.5134000111.3N398 V400 N405 E406N398-L402 PolarHBondContact O-N 3Å; V400-L402 VanDerWaalsContact C-N 3.33Å; V400-L402 PolarHBondContact O-N 2.88Å; L402-N405 PolarHBondContact O-N 3.47Å; L402-E406 PolarHBondContact O-N 3.37Å
403M61.5Low51.5Low105 Ų105108 Ų10852%0.51760%0.598SS.*Hα-helixtrans-66.2-35.9173.9-73-168.477.500112.8D399 V400 L407D399-M403 WeakPolarHBondContact O-CG 3.43Å; D399-M403 PolarHBondContact O-N 3.23Å; D399-M403 VanDerWaalsContact O-N 3.13Å; V400-M403 PolarHBondContact O-N 3.48Å; M403-L407 WeakPolarHBondContact O-CB 3.43Å; M403-L407 PolarHBondContact O-N 3.11Å; M403-L407 VanDerWaalsContact O-N 3.14Å
404L62.5Low51.5Low106 Ų106107.7 Ų107.756%0.55559%0.591SS**Hα-helixtrans-65-45.5175.5-77.8167.8000111.4V400 D401 E406 L407 E408V400-L404 HydrophobicContact CG1-CD1 4.21Å; V400-L404 WeakPolarHBondContact O-CG 3.33Å; V400-L404 PolarHBondContact O-N 3.08Å; D401-L404 PolarHBondContact O-N 3.13Å; L404-E406 PolarHBondContact O-N 3.06Å; L404-L407 PolarHBondContact O-N 2.76Å; L404-E408 WeakPolarHBondContact O-CB 3.43Å; L404-E408 PolarHBondContact O-N 3.39Å
405N57.9Low51.7Low96 Ų96105.4 Ų105.451%0.51359%0.585SS.*Hα-helixtrans-63.8-38.3176.9-89.3-14000113D401 L402 L407 N409D401-N405 PolarHBondContact O-N 3.15Å; L402-N405 PolarHBondContact O-N 3.47Å; N405-L407 VanDerWaalsContact C-N 3.35Å; N405-N409 VanDerWaalsContact O-CB 3.32Å; N405-N409 WeakPolarHBondContact O-CB 3.32Å; N405-N409 PolarHBondContact O-N 3.22Å; N405-N409 PolarHBondContact O-ND2 3.11Å
406E58.8Low51.9Low126 Ų126103.7 Ų103.759%0.58958%0.575SS**Hα-helixtrans-65.6-38.1175.5-82.3-169.8149.700112.6L402 L404 S410L402-E406 PolarHBondContact O-N 3.37Å; L404-E406 PolarHBondContact O-N 3.06Å; E406-S410 WeakPolarHBondContact O-CB 3.49Å; E406-S410 PolarHBondContact O-N 3.22Å
407L52.2Low52Low110 Ų110103.7 Ų103.758%0.57657%0.565SS**Hα-helixtrans-70.7-40.2-179.4-143.9134.7000111M403 L404 N405 S410 L411M403-L407 WeakPolarHBondContact O-CB 3.43Å; M403-L407 PolarHBondContact O-N 3.11Å; M403-L407 VanDerWaalsContact O-N 3.14Å; L404-L407 PolarHBondContact O-N 2.76Å; N405-L407 VanDerWaalsContact C-N 3.35Å; L407-S410 PolarHBondContact O-N 3.18Å; L407-L411 HydrophobicContact CD2-CD1 3.75Å; L407-L411 WeakPolarHBondContact O-CB 3.41Å; L407-L411 PolarHBondContact O-N 3.13Å
408E55Low51.7Low110 Ų110108.3 Ų108.351%0.51457%0.573SS.*Hα-helixtrans-62.8-48.4173-165.8166.8-148.400111L404 S410 L411 E412L404-E408 WeakPolarHBondContact O-CB 3.43Å; L404-E408 PolarHBondContact O-N 3.39Å; E408-S410 VanDerWaalsContact C-N 3.31Å; E408-S410 PolarHBondContact O-N 3.47Å; E408-L411 PolarHBondContact O-N 3.31Å; E408-L411 VanDerWaalsContact O-N 3.16Å; E408-E412 WeakPolarHBondContact O-CB 3.32Å; E408-E412 WeakPolarHBondContact O-CG 3.42Å; E408-E412 PolarHBondContact O-N 2.77Å
409N49.5Very low50.9Low92 Ų92111.2 Ų111.249%0.49258%0.583SS.*Hα-helixtrans-58.7-40.7175.4-75.7-37.2000112.5N405 I413N405-N409 VanDerWaalsContact O-CB 3.32Å; N405-N409 WeakPolarHBondContact O-CB 3.32Å; N405-N409 PolarHBondContact O-N 3.22Å; N405-N409 PolarHBondContact O-ND2 3.11Å; N409-I413 WeakPolarHBondContact O-CB 3.39Å; N409-I413 VanDerWaalsContact O-CD1 3.28Å; N409-I413 WeakPolarHBondContact O-CD1 3.23Å; N409-I413 WeakPolarHBondContact O-CG1 3.4Å; N409-I413 PolarHBondContact O-N 3.04Å
410S54.2Low50.2Low83 Ų83108.9 Ų108.958%0.5859%0.589SS**Hα-helixtrans-71.1-31.8179.3-165.50000112.9E406 L407 E408 S414E406-S410 WeakPolarHBondContact O-CB 3.49Å; E406-S410 PolarHBondContact O-N 3.22Å; L407-S410 PolarHBondContact O-N 3.18Å; E408-S410 VanDerWaalsContact C-N 3.31Å; E408-S410 PolarHBondContact O-N 3.47Å; S410-S414 PolarHBondContact O-N 3.15Å
411L44.5Very low49.8Very low103 Ų103113.9 Ų113.954%0.53960%0.596SS.*Hα-helixtrans-77.7-37.1175.8-101.3138.6000112.1L407 E408 S414 S415L407-L411 HydrophobicContact CD2-CD1 3.75Å; L407-L411 WeakPolarHBondContact O-CB 3.41Å; L407-L411 PolarHBondContact O-N 3.13Å; E408-L411 PolarHBondContact O-N 3.31Å; E408-L411 VanDerWaalsContact O-N 3.16Å; L411-S414 PolarHBondContact O-N 3.08Å; L411-S414 PolarHBondContact O-OG 3.13Å; L411-S415 PolarHBondContact O-N 2.93Å; L411-S415 PolarHBondContact O-OG 2.73Å; L411-S415 VanDerWaalsContact O-OG 3.08Å
412E46.9Very low49.2Very low95 Ų95113.7 Ų113.744%0.44460%0.595SS.*Hα-helixtrans-68.1-40.5175.7-71.4-164.6162.200111.9E408 S414 S415 F416E408-E412 WeakPolarHBondContact O-CB 3.32Å; E408-E412 WeakPolarHBondContact O-CG 3.42Å; E408-E412 PolarHBondContact O-N 2.77Å; E412-S414 PolarHBondContact O-N 2.66Å; E412-S415 PolarHBondContact O-N 3.23Å; E412-F416 HydrophobicContact CB-CD2 4.43Å; E412-F416 HydrophobicContact CB-CE2 4.28Å; E412-F416 WeakPolarHBondContact O-CD2 3.42Å; E412-F416 PolarHBondContact O-N 3.48Å; E412-F416 VanDerWaalsContact O-N 3.17Å
413I43.7Very low49.2Very low116 Ų116116.4 Ų116.460%0.59561%0.608SS**Hα-helixtrans-62.1-30.7175.5-66.9164.1000111.5N409 S415N409-I413 WeakPolarHBondContact O-CB 3.39Å; N409-I413 VanDerWaalsContact O-CD1 3.28Å; N409-I413 WeakPolarHBondContact O-CD1 3.23Å; N409-I413 WeakPolarHBondContact O-CG1 3.4Å; N409-I413 PolarHBondContact O-N 3.04Å; I413-S415 VanDerWaalsContact C-N 3.31Å
414S42Very low49.5Very low77 Ų77116.6 Ų116.654%0.53862%0.615SS.*Hα-helixtrans-73-23.2175.276.70000113.5S410 L411 E412S410-S414 PolarHBondContact O-N 3.15Å; L411-S414 PolarHBondContact O-N 3.08Å; L411-S414 PolarHBondContact O-OG 3.13Å; E412-S414 PolarHBondContact O-N 2.66Å
415S42.8Very low49.8Very low77 Ų77114.6 Ų114.654%0.53861%0.61SS.*Hα-helixtrans-92-28.4-175.4-57.90000113.5L411 E412 I413L411-S415 PolarHBondContact O-N 2.93Å; L411-S415 PolarHBondContact O-OG 2.73Å; L411-S415 VanDerWaalsContact O-OG 3.08Å; E412-S415 PolarHBondContact O-N 3.23Å; I413-S415 VanDerWaalsContact C-N 3.31Å
416F41.4Very low50.7Low133 Ų133113 Ų11358%0.58360%0.604SS**Hα-helixtrans-85.2-15-176.7-73.5-70.2000115.4E412 H418 H419E412-F416 HydrophobicContact CB-CD2 4.43Å; E412-F416 HydrophobicContact CB-CE2 4.28Å; E412-F416 WeakPolarHBondContact O-CD2 3.42Å; E412-F416 PolarHBondContact O-N 3.48Å; E412-F416 VanDerWaalsContact O-N 3.17Å; F416-H418 VanDerWaalsContact C-N 3.32Å; F416-H418 PolarHBondContact O-N 2.71Å; F416-H419 PolarHBondContact O-ND1 3.08Å
417N41.9Very low52.1Low128 Ų128109.3 Ų109.368%0.68459%0.591SS**THydrogen-bonded Turntrans-847.4-177.5-86.3-23.9000116
418H40Very low53.9Low176 Ų176108.4 Ų108.482%0.81558%0.584SS**THydrogen-bonded Turntrans-90.28.1173.1-92.855.7000114.7F416 G420F416-H418 VanDerWaalsContact C-N 3.32Å; F416-H418 PolarHBondContact O-N 2.71Å; H418-G420 PolarHBondContact O-N 2.99Å
419H36.4Very low55.8Low160 Ų160103.2 Ų103.274%0.74156%0.56SS**SBendtrans-74.697.9177.9-75.468.5000112F416F416-H419 PolarHBondContact O-ND1 3.08Å
420G45.2Very low58Low76 Ų76101.1 Ų101.178%0.78455%0.552SS**SBendtrans92.414.1140.200000118.6H418H418-G420 PolarHBondContact O-N 2.99Å
421R48.7Very low60.1Low209 Ų20998.9 Ų98.979%0.78953%0.534SS*.  trans-94.6114.5163.9-74-172.6-176.7161.54.8109.4I423R421-I423 PolarHBondContact O-N 3.15Å
422D47Very low62.6Low100 Ų10098.1 Ų98.154%0.53552%0.524SS..  trans-45111.6169.1-171.6-12.6000109.3T424 S425D422-T424 PolarHBondContact O-N 3.31Å; D422-T424 WeakPolarHBondContact OD1-CB 3.23Å; D422-T424 PolarHBondContact OD1-N 2.81Å; D422-T424 VanDerWaalsContact OD1-N 3.15Å; D422-T424 PolarHBondContact OD1-OG1 3.33Å; D422-T424 PolarHBondContact OD2-OG1 3.05Å; D422-S425 WeakPolarHBondContact O-CB 3.36Å; D422-S425 PolarHBondContact O-N 2.95Å; D422-S425 PolarHBondContact O-OG 3.36Å
423I61.4Low65Low166 Ų16693.6 Ų93.685%0.85150%0.503SS*.THydrogen-bonded Turntrans-57.7-19.6-178.3-169.8165.5000112R421R421-I423 PolarHBondContact O-N 3.15Å
424T67.5Low67.5Low109 Ų10992.8 Ų92.867%0.66949%0.493SS*.THydrogen-bonded Turntrans-83.7-13.3177.772.40000113.3D422 V426D422-T424 PolarHBondContact O-N 3.31Å; D422-T424 WeakPolarHBondContact OD1-CB 3.23Å; D422-T424 PolarHBondContact OD1-N 2.81Å; D422-T424 VanDerWaalsContact OD1-N 3.15Å; D422-T424 PolarHBondContact OD1-OG1 3.33Å; D422-T424 PolarHBondContact OD2-OG1 3.05Å; T424-V426 PolarHBondContact O-N 3.23Å
425S68.1Low70Confident64 Ų6490.1 Ų90.145%0.44847%0.471SS..SBendtrans-79114178.768.10000110.8D422 P427D422-S425 WeakPolarHBondContact O-CB 3.36Å; D422-S425 PolarHBondContact O-N 2.95Å; D422-S425 PolarHBondContact O-OG 3.36Å; S425-P427 WeakPolarHBondContact O-CD 3.33Å
426V76.9Confident72.1Confident63 Ų6390 Ų9038%0.38246%0.459SS..  trans-66.8116.5173.1178.90000108T424 E428 R454 D455T424-V426 PolarHBondContact O-N 3.23Å; V426-E428 PolarHBondContact O-N 3Å; V426-R454 HydrophobicContact CG1-CG 3.91Å; V426-D455 VanDerWaalsContact CG1-OD1 3.25Å; V426-D455 WeakPolarHBondContact CG1-OD1 3.35Å
427P88Confident74.2Confident49 Ų4989.9 Ų89.932%0.31846%0.455SS..  trans-60.9130.4-179.1-22.534.1000110.7S425 M534 A535S425-P427 WeakPolarHBondContact O-CD 3.33Å; P427-M534 HydrophobicContact CB-CB 4.13Å; P427-M534 HydrophobicContact CB-CE 4.48Å; P427-M534 VanDerWaalsContact O-CE 3.32Å; P427-M534 WeakPolarHBondContact O-CE 3.49Å; P427-A535 HydrophobicContact CG-CB 4.04Å
428E91.3Very high75.8Confident91 Ų9186.2 Ų86.243%0.42544%0.439SS..EExtended strand (participates in β ladder)trans-122131.3176.9-175.5170.8155.400109.6V426 T452 R454V426-E428 PolarHBondContact O-N 3Å; E428-T452 WeakPolarHBondContact OE1-CB 3.29Å; E428-T452 VanDerWaalsContact OE1-CG2 3.28Å; E428-T452 WeakPolarHBondContact OE1-CG2 3.21Å; E428-R454 HydrophobicContact CG-CB 4.23Å
429L95Very high77.1Confident1 Ų185 Ų851%0.00543%0.431CS..EExtended strand (participates in β ladder)trans-103.2128.6173.4177.466.9000107.3T452 L453 R520 W521 A524 M534L429-T452 CarbonylContact O-C 3.6Å; L429-T452 VanDerWaalsContact O-CA 3.25Å; L429-T452 WeakPolarHBondContact O-CA 3.45Å; L429-L453 HydrophobicContact CB-CB 4.33Å; L429-L453 PolarHBondContact N-O 3.5Å; L429-L453 PolarHBondContact O-N 2.92Å; L429-R520 HydrophobicContact CD1-CB 4.25Å; L429-R520 VanDerWaalsContact CD1-CZ 3.41Å; L429-R520 HydrophobicContact CD2-CB 4.36Å; L429-W521 HydrophobicContact CD2-CD2 3.59Å; L429-W521 HydrophobicContact CD2-CE3 4.12Å; L429-W521 HydrophobicContact CD2-CG 3.8Å; L429-W521 HydrophobicContact CD2-CH2 4.48Å; L429-W521 HydrophobicContact CD2-CZ2 4Å; L429-W521 HydrophobicContact CG-CD2 4.31Å; L429-W521 HydrophobicContact CG-CH2 4.47Å; L429-W521 HydrophobicContact CG-CZ2 3.82Å; L429-A524 HydrophobicContact CD2-CB 4.04Å; L429-M534 HydrophobicContact CB-CE 3.73Å; L429-M534 HydrophobicContact CB-SD 3.67Å; L429-M534 HydrophobicContact CD2-SD 4.36Å
430S96Very high78Confident47 Ų4787.6 Ų87.633%0.32944%0.44SS..EExtended strand (participates in β ladder)trans-143.5130.1-176.564.50000111.8Y450 F451S430-Y450 WeakPolarHBondContact CB-OH 3.25Å; S430-Y450 PolarHBondContact OG-OH 2.69Å; S430-Y450 VanDerWaalsContact OG-OH 3.11Å; S430-F451 CarbonylContact C-O 3.48Å; S430-F451 WeakPolarHBondContact CA-O 3.33Å
431D96.8Very high78.4Confident37 Ų3791.9 Ų91.920%0.19844%0.443CS..EExtended strand (participates in β ladder)trans-157.1156.7-173.6-87.1-62000111.5L433 F451 Q517 W521D431-L433 HydrophobicContact CB-CD2 4Å; D431-L433 HydrophobicContact CB-CG 4.23Å; D431-F451 PolarHBondContact N-O 3.27Å; D431-F451 PolarHBondContact O-N 3.45Å; D431-Q517 PolarHBondContact OD1-NE2 3.39Å; D431-Q517 VanDerWaalsContact OD1-NE2 3.09Å; D431-W521 HydrophobicContact CB-CZ2 4.04Å; D431-W521 PolarHBondContact OD2-NE1 3.41Å
432Y97.8Very high78.7Confident86 Ų8684.7 Ų84.734%0.33743%0.425SS..EExtended strand (participates in β ladder)trans-80.8118.8162.4-78.8-84.7000110.1R448 A449 Y450 S464Y432-R448 HydrophobicContact CD1-CG 4.47Å; Y432-A449 WeakPolarHBondContact CA-O 3.31Å; Y432-Y450 HydrophobicContact CD1-CD2 4.44Å; Y432-Y450 AromaticContact CD2-CD2 3.85Å; Y432-Y450 HydrophobicContact CD2-CD2 3.85Å; Y432-Y450 HydrophobicContact CD2-CE2 4.48Å; Y432-Y450 HydrophobicContact CE1-CD2 4.36Å; Y432-Y450 AromaticContact CE2-CD2 3.71Å; Y432-Y450 HydrophobicContact CE2-CD2 3.71Å; Y432-Y450 HydrophobicContact CE2-CE2 4.33Å; Y432-Y450 HydrophobicContact CG-CD2 4.22Å; Y432-S464 PolarHBondContact OH-N 3.42Å
433L97Very high79Confident0 Ų088.8 Ų88.80%045%0.446CS..EExtended strand (participates in β ladder)trans-122.4162.3178.5-53.4174.8000110.7D431 R448 A449 F451 I510 Q517 W521D431-L433 HydrophobicContact CB-CD2 4Å; D431-L433 HydrophobicContact CB-CG 4.23Å; L433-R448 WeakPolarHBondContact O-CA 3.47Å; L433-A449 PolarHBondContact N-O 3.31Å; L433-A449 PolarHBondContact O-N 3.1Å; L433-F451 HydrophobicContact CB-CD2 3.71Å; L433-F451 HydrophobicContact CB-CE2 4.12Å; L433-F451 HydrophobicContact CB-CG 4.27Å; L433-F451 HydrophobicContact CD1-CB 3.76Å; L433-F451 HydrophobicContact CD1-CD1 4.34Å; L433-F451 HydrophobicContact CD1-CD2 4.14Å; L433-F451 HydrophobicContact CD1-CG 3.83Å; L433-F451 HydrophobicContact CG-CB 4.21Å; L433-F451 HydrophobicContact CG-CD2 4.16Å; L433-F451 HydrophobicContact CG-CG 4.29Å; L433-I510 HydrophobicContact CB-CG2 3.99Å; L433-I510 HydrophobicContact CD1-CG2 3.4Å; L433-I510 VanDerWaalsContact CD1-CG2 3.4Å; L433-I510 HydrophobicContact CG-CG2 4.23Å; L433-Q517 VanDerWaalsContact CD2-CD 3.42Å; L433-Q517 HydrophobicContact CD2-CG 3.98Å; L433-W521 HydrophobicContact CD1-CD2 3.65Å; L433-W521 HydrophobicContact CD1-CE3 3.9Å; L433-W521 HydrophobicContact CD1-CG 4.27Å; L433-W521 HydrophobicContact CD1-CH2 3.97Å; L433-W521 HydrophobicContact CD1-CZ2 3.71Å; L433-W521 HydrophobicContact CD1-CZ3 4.04Å; L433-W521 HydrophobicContact CG-CZ2 4.46Å
434R95.5Very high79Confident99 Ų9986.7 Ų86.737%0.37443%0.43SS..EExtended strand (participates in β ladder)trans-95.8143.1167.5-61175.5-152174.112.4109.2W446 R447 I510 R511 D513R434-W446 HydrophobicContact CB-CE3 3.91Å; R434-R447 CarbonylContact C-O 3.53Å; R434-R447 WeakPolarHBondContact CA-O 3.36Å; R434-I510 CarbonylContact O-C 3.58Å; R434-I510 WeakPolarHBondContact O-CA 3.24Å; R434-R511 HydrophobicContact CB-CB 4.2Å; R434-R511 PolarHBondContact N-O 2.88Å; R434-R511 PolarHBondContact O-N 2.87Å; R434-D513 IonicContact CZ-OD1 2.75Å; R434-D513 IonicContact NE-OD1 2.64Å; R434-D513 PolarHBondContact NE-OD1 3.46Å; R434-D513 IonicContact NH2-OD1 2.73Å; R434-D513 PolarHBondContact NH2-OD1 3.04Å
435F94.3Very high79.6Confident22 Ų2283.9 Ų83.910%0.09642%0.424CS..EExtended strand (participates in β ladder)trans-137.7155.4177.674.8-78.8000112.2W446 R447 A449 F451 F508 W509F435-W446 WeakPolarHBondContact O-CA 3.45Å; F435-R447 HydrophobicContact CD1-CB 4.08Å; F435-R447 WeakPolarHBondContact CD1-O 3.2Å; F435-R447 HydrophobicContact CE1-CB 3.57Å; F435-R447 HydrophobicContact CZ-CB 3.86Å; F435-R447 PolarHBondContact N-O 2.91Å; F435-R447 PolarHBondContact O-N 3.02Å; F435-A449 HydrophobicContact CD1-CB 4.03Å; F435-A449 HydrophobicContact CE1-CB 3.63Å; F435-F451 HydrophobicContact CB-CE2 4.12Å; F435-F451 HydrophobicContact CB-CZ 3.64Å; F435-F451 AromaticContact CD1-CE2 3.77Å; F435-F451 HydrophobicContact CD1-CE2 3.77Å; F435-F451 AromaticContact CD1-CZ 3.8Å; F435-F451 HydrophobicContact CD1-CZ 3.8Å; F435-F451 HydrophobicContact CG-CE2 4.18Å; F435-F451 AromaticContact CG-CZ 3.77Å; F435-F451 HydrophobicContact CG-CZ 3.77Å; F435-F508 HydrophobicContact CB-CE1 4.18Å; F435-F508 HydrophobicContact CB-CZ 4.02Å; F435-F508 AromaticContact CD2-CE2 3.98Å; F435-F508 HydrophobicContact CD2-CE2 3.98Å; F435-F508 AromaticContact CD2-CZ 3.71Å; F435-F508 HydrophobicContact CD2-CZ 3.71Å; F435-F508 HydrophobicContact CG-CZ 4.13Å; F435-W509 CarbonylContact C-O 3.56Å; F435-W509 WeakPolarHBondContact CA-O 3.13Å; F435-W509 VanDerWaalsContact CB-O 3.29Å; F435-W509 WeakPolarHBondContact CB-O 3.44Å
436Y88.4Confident80.6Confident73 Ų7385 Ų8529%0.28642%0.418SS..EExtended strand (participates in β ladder)trans-141137177.1170.2-108.3000109.1P438 K444 W509Y436-P438 HydrophobicContact CD1-CG 4.26Å; Y436-P438 HydrophobicContact CE1-CB 4.29Å; Y436-P438 HydrophobicContact CE1-CG 3.66Å; Y436-K444 VanDerWaalsContact CD2-O 3.27Å; Y436-K444 WeakPolarHBondContact CD2-O 3.45Å; Y436-K444 WeakPolarHBondContact CE2-O 3.27Å; Y436-W509 HydrophobicContact CD1-CB 4.39Å; Y436-W509 HydrophobicContact CD1-CG 4.22Å; Y436-W509 PolarHBondContact N-O 3.18Å; Y436-W509 WeakPolarHBondContact O-CB 3.34Å; Y436-W509 PolarHBondContact O-N 3.37Å
437R84.9Confident81.3Confident132 Ų13287.7 Ų87.750%0.49842%0.421SS..  trans-126.9108.6176.4-171.7176.2-177.7176.51.8108.2K439 F508R437-K439 PolarHBondContact O-N 3.33Å; R437-K439 VanDerWaalsContact O-N 3.13Å; R437-F508 HydrophobicContact CB-CD2 4.26Å; R437-F508 HydrophobicContact CB-CE2 4.49Å; R437-F508 HydrophobicContact CG-CD2 4.28Å
438P76.2Confident81.6Confident51 Ų5192.1 Ų92.133%0.33143%0.432SS..  trans-55.1120.9174.2-19.828.6000109.7Y436 E507Y436-P438 HydrophobicContact CD1-CG 4.26Å; Y436-P438 HydrophobicContact CE1-CB 4.29Å; Y436-P438 HydrophobicContact CE1-CG 3.66Å; P438-E507 HydrophobicContact CG-CB 4.19Å
439K66.3Low81.8Confident149 Ų14987.9 Ų87.965%0.64841%0.412SS*.  trans-117.5136.8166.2-73.5-166.7177.8-169.10107.6R437 I441R437-K439 PolarHBondContact O-N 3.33Å; R437-K439 VanDerWaalsContact O-N 3.13Å; K439-I441 PolarHBondContact O-N 3.02Å
440K55.9Low82Confident215 Ų21589.2 Ų89.294%0.93542%0.417SS*.THydrogen-bonded Turntrans-50.4-23.3-176.2-74.3-177.5176.2174.70115
441I53.3Low82Confident167 Ų16787 Ų8786%0.85640%0.402SS*.THydrogen-bonded Turntrans-129.62-163.5-56.7167.2000113.6K439K439-I441 PolarHBondContact O-N 3.02Å
442S54.7Low82Confident58 Ų5885.5 Ų85.541%0.40639%0.394SS..  trans-145.7115.1-177.1176.20000113.5K444S442-K444 PolarHBondContact O-N 3.22Å
443L53.7Low82Confident185 Ų18581.5 Ų81.597%0.96938%0.378SS*.  trans-66.971.6166.5-89.4133.8000110.5
444K60.6Low81.8Confident122 Ų12287.1 Ų87.153%0.5340%0.4SS..  trans-92.5112.2164-87.8170.9170.5-178.10108Y436 S442Y436-K444 VanDerWaalsContact CD2-O 3.27Å; Y436-K444 WeakPolarHBondContact CD2-O 3.45Å; Y436-K444 WeakPolarHBondContact CE2-O 3.27Å; S442-K444 PolarHBondContact O-N 3.22Å
445G80.4Confident81.6Confident51 Ų5185.6 Ų85.653%0.52640%0.399SS..  trans-66-174.2177.700000114R447G445-R447 PolarHBondContact O-N 2.91Å
446W89.9Confident81.6Confident88 Ų8885.8 Ų85.833%0.33340%0.401SS..  trans-54.4130.4179.2-68.490000112.2R434 F435 W509 R511R434-W446 HydrophobicContact CB-CE3 3.91Å; F435-W446 WeakPolarHBondContact O-CA 3.45Å; W446-W509 HydrophobicContact CH2-CB 3.86Å; W446-W509 HydrophobicContact CH2-CE3 4.21Å; W446-W509 HydrophobicContact CZ3-CB 4.24Å; W446-R511 VanDerWaalsContact CE2-CZ 3.44Å; W446-R511 VanDerWaalsContact CE2-NH2 3.34Å; W446-R511 HydrophobicContact CE3-CB 3.99Å; W446-R511 HydrophobicContact CH2-CB 3.87Å; W446-R511 VanDerWaalsContact CZ2-CZ 3.46Å; W446-R511 HydrophobicContact CZ3-CB 3.41Å; W446-R511 VanDerWaalsContact CZ3-CB 3.41Å
447R91.8Very high82Confident118 Ų11886 Ų8645%0.44540%0.402SS..EExtended strand (participates in β ladder)trans-116.1145.4178.1-66.8175175.2-124.6-19.9110R434 F435 G445R434-R447 CarbonylContact C-O 3.53Å; R434-R447 WeakPolarHBondContact CA-O 3.36Å; F435-R447 HydrophobicContact CD1-CB 4.08Å; F435-R447 WeakPolarHBondContact CD1-O 3.2Å; F435-R447 HydrophobicContact CE1-CB 3.57Å; F435-R447 HydrophobicContact CZ-CB 3.86Å; F435-R447 PolarHBondContact N-O 2.91Å; F435-R447 PolarHBondContact O-N 3.02Å; G445-R447 PolarHBondContact O-N 2.91Å
448R94.8Very high82.5Confident142 Ų14279.8 Ų79.854%0.53638%0.378SS..EExtended strand (participates in β ladder)trans-95.1135.8174.4-163.7175.3-174.3128.618.9109.9Y432 L433 D513Y432-R448 HydrophobicContact CD1-CG 4.47Å; L433-R448 WeakPolarHBondContact O-CA 3.47Å; R448-D513 IonicContact CZ-OD2 2.69Å; R448-D513 IonicContact NH1-OD2 3.7Å; R448-D513 IonicContact NH2-OD2 3.53Å; R448-D513 PolarHBondContact NH2-OD2 3.15Å
449A95.4Very high83.5Confident2 Ų277.8 Ų77.82%0.01737%0.366CS..EExtended strand (participates in β ladder)trans-148.8163.5175.200000110.1Y432 L433 F435 F451 W460 Y461Y432-A449 WeakPolarHBondContact CA-O 3.31Å; L433-A449 PolarHBondContact N-O 3.31Å; L433-A449 PolarHBondContact O-N 3.1Å; F435-A449 HydrophobicContact CD1-CB 4.03Å; F435-A449 HydrophobicContact CE1-CB 3.63Å; A449-F451 HydrophobicContact CB-CD2 4.27Å; A449-F451 HydrophobicContact CB-CE2 3.84Å; A449-W460 HydrophobicContact CB-CB 4.31Å; A449-Y461 VanDerWaalsContact CB-O 3.3Å; A449-Y461 WeakPolarHBondContact CB-O 3.41Å
450Y97.5Very high84.9Confident30 Ų3071.7 Ų71.712%0.11834%0.338CS..EExtended strand (participates in β ladder)trans-87.6118172.3-174.2-104.5000109S430 Y432 T452 W460 Y461S430-Y450 WeakPolarHBondContact CB-OH 3.25Å; S430-Y450 PolarHBondContact OG-OH 2.69Å; S430-Y450 VanDerWaalsContact OG-OH 3.11Å; Y432-Y450 HydrophobicContact CD1-CD2 4.44Å; Y432-Y450 AromaticContact CD2-CD2 3.85Å; Y432-Y450 HydrophobicContact CD2-CD2 3.85Å; Y432-Y450 HydrophobicContact CD2-CE2 4.48Å; Y432-Y450 HydrophobicContact CE1-CD2 4.36Å; Y432-Y450 AromaticContact CE2-CD2 3.71Å; Y432-Y450 HydrophobicContact CE2-CD2 3.71Å; Y432-Y450 HydrophobicContact CE2-CE2 4.33Å; Y432-Y450 HydrophobicContact CG-CD2 4.22Å; Y450-T452 HydrophobicContact CD1-CG2 4.11Å; Y450-T452 HydrophobicContact CE1-CG2 3.66Å; Y450-W460 CarbonylContact O-C 3.55Å; Y450-W460 WeakPolarHBondContact O-CA 3.47Å; Y450-Y461 HydrophobicContact CD1-CD2 4.28Å; Y450-Y461 PolarHBondContact N-O 3.05Å; Y450-Y461 PolarHBondContact O-N 2.81Å
451F97.8Very high86.9Confident0 Ų062.5 Ų62.50%030%0.298CS..EExtended strand (participates in β ladder)trans-102.3144.7-179.3-80.3-105.9000110.2S430 D431 L433 F435 A449 I458 S459 W460 F508 I510 W521S430-F451 CarbonylContact C-O 3.48Å; S430-F451 WeakPolarHBondContact CA-O 3.33Å; D431-F451 PolarHBondContact N-O 3.27Å; D431-F451 PolarHBondContact O-N 3.45Å; L433-F451 HydrophobicContact CB-CD2 3.71Å; L433-F451 HydrophobicContact CB-CE2 4.12Å; L433-F451 HydrophobicContact CB-CG 4.27Å; L433-F451 HydrophobicContact CD1-CB 3.76Å; L433-F451 HydrophobicContact CD1-CD1 4.34Å; L433-F451 HydrophobicContact CD1-CD2 4.14Å; L433-F451 HydrophobicContact CD1-CG 3.83Å; L433-F451 HydrophobicContact CG-CB 4.21Å; L433-F451 HydrophobicContact CG-CD2 4.16Å; L433-F451 HydrophobicContact CG-CG 4.29Å; F435-F451 HydrophobicContact CB-CE2 4.12Å; F435-F451 HydrophobicContact CB-CZ 3.64Å; F435-F451 AromaticContact CD1-CE2 3.77Å; F435-F451 HydrophobicContact CD1-CE2 3.77Å; F435-F451 AromaticContact CD1-CZ 3.8Å; F435-F451 HydrophobicContact CD1-CZ 3.8Å; F435-F451 HydrophobicContact CG-CE2 4.18Å; F435-F451 AromaticContact CG-CZ 3.77Å; F435-F451 HydrophobicContact CG-CZ 3.77Å; A449-F451 HydrophobicContact CB-CD2 4.27Å; A449-F451 HydrophobicContact CB-CE2 3.84Å; F451-I458 HydrophobicContact CD1-CG2 3.57Å; F451-I458 HydrophobicContact CE1-CG2 3.91Å; F451-S459 CarbonylContact C-O 3.6Å; F451-S459 WeakPolarHBondContact CA-O 3.23Å; F451-W460 HydrophobicContact CD1-CB 3.77Å; F451-W460 HydrophobicContact CD2-CB 3.9Å; F451-W460 HydrophobicContact CE1-CB 3.64Å; F451-W460 HydrophobicContact CE1-CD2 4.12Å; F451-W460 AromaticContact CE1-CE3 3.94Å; F451-W460 HydrophobicContact CE1-CE3 3.94Å; F451-W460 HydrophobicContact CE1-CG 4.03Å; F451-W460 HydrophobicContact CE2-CB 3.8Å; F451-W460 HydrophobicContact CE2-CG 4.37Å; F451-W460 HydrophobicContact CG-CB 3.88Å; F451-W460 HydrophobicContact CZ-CB 3.64Å; F451-W460 HydrophobicContact CZ-CD2 4.24Å; F451-W460 HydrophobicContact CZ-CE3 4.49Å; F451-W460 AromaticContact CZ-CG 3.87Å; F451-W460 HydrophobicContact CZ-CG 3.87Å; F451-F508 AromaticContact CE1-CE1 3.98Å; F451-F508 HydrophobicContact CE1-CE1 3.98Å; F451-F508 HydrophobicContact CE1-CZ 4.18Å; F451-F508 HydrophobicContact CZ-CE1 4.24Å; F451-F508 HydrophobicContact CZ-CZ 4.17Å; F451-I510 HydrophobicContact CD1-CD1 4.44Å; F451-I510 HydrophobicContact CE1-CD1 4.22Å; F451-I510 HydrophobicContact CE1-CG1 4.45Å; F451-W521 HydrophobicContact CB-CH2 3.57Å; F451-W521 HydrophobicContact CB-CZ2 3.98Å; F451-W521 HydrophobicContact CB-CZ3 4.32Å
452T96.7Very high88.8Confident6 Ų658.5 Ų58.54%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-127.2139.3166.866.10000109.3E428 L429 Y450 I458 S459 Y461E428-T452 WeakPolarHBondContact OE1-CB 3.29Å; E428-T452 VanDerWaalsContact OE1-CG2 3.28Å; E428-T452 WeakPolarHBondContact OE1-CG2 3.21Å; L429-T452 CarbonylContact O-C 3.6Å; L429-T452 VanDerWaalsContact O-CA 3.25Å; L429-T452 WeakPolarHBondContact O-CA 3.45Å; Y450-T452 HydrophobicContact CD1-CG2 4.11Å; Y450-T452 HydrophobicContact CE1-CG2 3.66Å; T452-I458 CarbonylContact O-C 3.47Å; T452-I458 WeakPolarHBondContact O-CA 3.46Å; T452-S459 PolarHBondContact N-O 3.03Å; T452-S459 PolarHBondContact O-N 3.44Å; T452-Y461 HydrophobicContact CG2-CE2 4.09Å
453L96.4Very high90.6Very high1 Ų157.3 Ų57.31%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-117.9112.6168.5-168.5161.2000107.5L429 Y457 I458 L477 W521 A524 M534L429-L453 HydrophobicContact CB-CB 4.33Å; L429-L453 PolarHBondContact N-O 3.5Å; L429-L453 PolarHBondContact O-N 2.92Å; L453-Y457 WeakPolarHBondContact CA-O 3.43Å; L453-I458 HydrophobicContact CB-CG1 4.29Å; L453-I458 HydrophobicContact CD1-CD1 4.21Å; L453-I458 HydrophobicContact CD1-CG1 3.86Å; L453-I458 HydrophobicContact CG-CG1 4.03Å; L453-L477 HydrophobicContact CD1-CD1 3.9Å; L453-W521 HydrophobicContact CB-CH2 4Å; L453-W521 HydrophobicContact CB-CZ3 3.8Å; L453-W521 HydrophobicContact CD1-CE3 4.41Å; L453-W521 HydrophobicContact CD1-CZ3 4.21Å; L453-A524 HydrophobicContact CD1-CB 3.74Å; L453-A524 HydrophobicContact CD2-CB 4.32Å; L453-M534 HydrophobicContact CD2-CE 3.85Å; L453-M534 HydrophobicContact CD2-CG 4.48Å; L453-M534 HydrophobicContact CD2-SD 4.22Å; L453-M534 VanDerWaalsContact O-CE 3.26Å; L453-M534 WeakPolarHBondContact O-CE 3.35Å
454R93.2Very high92.5Very high119 Ų11950.8 Ų50.845%0.44924%0.244SC..EExtended strand (participates in β ladder)trans-133.6136.9177.5-176.2176.6169.1172.61.2109.3V426 E428 L456 Y457V426-R454 HydrophobicContact CG1-CG 3.91Å; E428-R454 HydrophobicContact CG-CB 4.23Å; R454-L456 PolarHBondContact O-N 3.28Å; R454-Y457 PolarHBondContact N-O 3.01Å; R454-Y457 VanDerWaalsContact N-O 3.11Å; R454-Y457 PolarHBondContact O-N 3.49Å
455D91.2Very high93.9Very high66 Ų6650.1 Ų50.135%0.35326%0.255SS..THydrogen-bonded Turntrans55.4-105.4-171.7-54.2-52000111.1V426V426-D455 VanDerWaalsContact CG1-OD1 3.25Å; V426-D455 WeakPolarHBondContact CG1-OD1 3.35Å
456L95Very high94.3Very high27 Ų2749.3 Ų49.314%0.14124%0.243CC..THydrogen-bonded Turntrans-122.314.5178.9-56.1178.7000112.2R454 F476 L477 K478 A528 K532 T533R454-L456 PolarHBondContact O-N 3.28Å; L456-F476 HydrophobicContact CB-CD2 4Å; L456-F476 HydrophobicContact CB-CE2 3.62Å; L456-F476 HydrophobicContact CD1-CE2 3.83Å; L456-F476 HydrophobicContact CD1-CZ 4.06Å; L456-F476 HydrophobicContact CG-CE2 4.36Å; L456-L477 WeakPolarHBondContact O-CB 3.44Å; L456-L477 PolarHBondContact O-N 3.01Å; L456-K478 HydrophobicContact CD1-CB 4.37Å; L456-A528 HydrophobicContact CD2-CB 4.11Å; L456-K532 WeakPolarHBondContact CD2-O 3.26Å; L456-T533 HydrophobicContact CD2-CG2 4.29Å
457Y96.1Very high94.1Very high78 Ų7846.8 Ų46.831%0.30624%0.24SC..EExtended strand (participates in β ladder)trans-115.7131.1-174-68.3-89000111.9L453 R454 R474 I475 F476L453-Y457 WeakPolarHBondContact CA-O 3.43Å; R454-Y457 PolarHBondContact N-O 3.01Å; R454-Y457 VanDerWaalsContact N-O 3.11Å; R454-Y457 PolarHBondContact O-N 3.49Å; Y457-R474 HydrophobicContact CD1-CG 3.73Å; Y457-R474 VanDerWaalsContact CE2-NH2 3.35Å; Y457-R474 HydrophobicContact CG-CG 4.33Å; Y457-R474 VanDerWaalsContact CG-CZ 3.5Å; Y457-I475 VanDerWaalsContact CA-O 3.29Å; Y457-I475 WeakPolarHBondContact CA-O 3.12Å; Y457-F476 HydrophobicContact CD1-CB 3.95Å; Y457-F476 AromaticContact CD1-CD2 3.93Å; Y457-F476 HydrophobicContact CD1-CD2 3.93Å; Y457-F476 HydrophobicContact CD1-CG 4.44Å; Y457-F476 HydrophobicContact CD2-CD2 4.15Å; Y457-F476 HydrophobicContact CE1-CB 3.63Å; Y457-F476 AromaticContact CE1-CD2 3.51Å; Y457-F476 HydrophobicContact CE1-CD2 3.51Å; Y457-F476 HydrophobicContact CE1-CE2 4.49Å; Y457-F476 AromaticContact CE1-CG 3.94Å; Y457-F476 HydrophobicContact CE1-CG 3.94Å; Y457-F476 AromaticContact CE2-CD2 3.72Å; Y457-F476 HydrophobicContact CE2-CD2 3.72Å; Y457-F476 HydrophobicContact CE2-CE2 4.01Å; Y457-F476 HydrophobicContact CG-CD2 4.26Å; Y457-F476 AromaticContact CZ-CD2 3.38Å; Y457-F476 AromaticContact CZ-CE2 3.95Å
458I96.1Very high93.7Very high0 Ų050.4 Ų50.40%026%0.261CS..EExtended strand (participates in β ladder)trans-90.6126.5159.9-73.3-177.8000108.2F451 T452 L453 W460 R474 I475 L477 L497 I510 W521F451-I458 HydrophobicContact CD1-CG2 3.57Å; F451-I458 HydrophobicContact CE1-CG2 3.91Å; T452-I458 CarbonylContact O-C 3.47Å; T452-I458 WeakPolarHBondContact O-CA 3.46Å; L453-I458 HydrophobicContact CB-CG1 4.29Å; L453-I458 HydrophobicContact CD1-CD1 4.21Å; L453-I458 HydrophobicContact CD1-CG1 3.86Å; L453-I458 HydrophobicContact CG-CG1 4.03Å; I458-W460 HydrophobicContact CG2-CE3 4.35Å; I458-R474 CarbonylContact O-C 3.58Å; I458-R474 WeakPolarHBondContact O-CA 3.5Å; I458-I475 PolarHBondContact N-O 3.35Å; I458-I475 PolarHBondContact O-N 3.05Å; I458-L477 HydrophobicContact CD1-CD1 3.76Å; I458-L477 HydrophobicContact CD1-CD2 4.01Å; I458-L477 HydrophobicContact CD1-CG 4.25Å; I458-L477 HydrophobicContact CG1-CD1 3.71Å; I458-L477 HydrophobicContact CG1-CD2 4.35Å; I458-L477 HydrophobicContact CG1-CG 4.12Å; I458-L497 HydrophobicContact CD1-CD1 4.02Å; I458-I510 HydrophobicContact CD1-CD1 3.77Å; I458-W521 HydrophobicContact CD1-CZ3 4.15Å; I458-W521 HydrophobicContact CG1-CZ3 4.26Å
459S96.4Very high93.4Very high10 Ų1045.9 Ų45.97%0.0726%0.259CS..EExtended strand (participates in β ladder)trans-121.1149.2171.1-590000109.2F451 T452 G473F451-S459 CarbonylContact C-O 3.6Å; F451-S459 WeakPolarHBondContact CA-O 3.23Å; T452-S459 PolarHBondContact N-O 3.03Å; T452-S459 PolarHBondContact O-N 3.44Å; S459-G473 WeakPolarHBondContact CA-O 3.37Å
460W96.1Very high93.1Very high20 Ų2054.5 Ų54.58%0.07630%0.299CS..EExtended strand (participates in β ladder)trans-136.8151.1172.966.393.1000113.1A449 Y450 F451 I458 P471 M472 G473 I475 F508A449-W460 HydrophobicContact CB-CB 4.31Å; Y450-W460 CarbonylContact O-C 3.55Å; Y450-W460 WeakPolarHBondContact O-CA 3.47Å; F451-W460 HydrophobicContact CD1-CB 3.77Å; F451-W460 HydrophobicContact CD2-CB 3.9Å; F451-W460 HydrophobicContact CE1-CB 3.64Å; F451-W460 HydrophobicContact CE1-CD2 4.12Å; F451-W460 AromaticContact CE1-CE3 3.94Å; F451-W460 HydrophobicContact CE1-CE3 3.94Å; F451-W460 HydrophobicContact CE1-CG 4.03Å; F451-W460 HydrophobicContact CE2-CB 3.8Å; F451-W460 HydrophobicContact CE2-CG 4.37Å; F451-W460 HydrophobicContact CG-CB 3.88Å; F451-W460 HydrophobicContact CZ-CB 3.64Å; F451-W460 HydrophobicContact CZ-CD2 4.24Å; F451-W460 HydrophobicContact CZ-CE3 4.49Å; F451-W460 AromaticContact CZ-CG 3.87Å; F451-W460 HydrophobicContact CZ-CG 3.87Å; I458-W460 HydrophobicContact CG2-CE3 4.35Å; W460-P471 CarbonylContact O-C 3.48Å; W460-M472 WeakPolarHBondContact O-CB 3.05Å; W460-M472 PolarHBondContact O-N 3.18Å; W460-G473 VanDerWaalsContact CE3-O 3.25Å; W460-G473 VanDerWaalsContact CZ2-CA 3.43Å; W460-G473 WeakPolarHBondContact CZ3-O 3.45Å; W460-G473 PolarHBondContact N-O 3.23Å; W460-G473 VanDerWaalsContact N-O 3.12Å; W460-I475 HydrophobicContact CH2-CD1 4.05Å; W460-I475 HydrophobicContact CH2-CG1 4.22Å; W460-I475 HydrophobicContact CZ3-CD1 3.65Å; W460-I475 HydrophobicContact CZ3-CG1 3.87Å; W460-F508 HydrophobicContact CD2-CZ 4.39Å; W460-F508 HydrophobicContact CE3-CZ 4.17Å; W460-F508 AromaticContact CH2-CE2 3.83Å; W460-F508 HydrophobicContact CH2-CE2 3.83Å; W460-F508 AromaticContact CH2-CZ 4Å; W460-F508 HydrophobicContact CH2-CZ 4Å; W460-F508 HydrophobicContact CZ2-CE2 4.04Å; W460-F508 HydrophobicContact CZ2-CZ 4.22Å; W460-F508 HydrophobicContact CZ3-CE2 4.24Å; W460-F508 AromaticContact CZ3-CZ 3.98Å; W460-F508 HydrophobicContact CZ3-CZ 3.98Å
461Y96.6Very high92.9Very high22 Ų2254.9 Ų54.99%0.08631%0.305CS..EExtended strand (participates in β ladder)trans-134.7157.9-170-55-93.9000110.1A449 Y450 T452 S463 A466 S467 G469 P471A449-Y461 VanDerWaalsContact CB-O 3.3Å; A449-Y461 WeakPolarHBondContact CB-O 3.41Å; Y450-Y461 HydrophobicContact CD1-CD2 4.28Å; Y450-Y461 PolarHBondContact N-O 3.05Å; Y450-Y461 PolarHBondContact O-N 2.81Å; T452-Y461 HydrophobicContact CG2-CE2 4.09Å; Y461-S463 PolarHBondContact O-N 3.07Å; Y461-A466 VanDerWaalsContact CD1-O 3.22Å; Y461-A466 WeakPolarHBondContact CD1-O 3.27Å; Y461-S467 VanDerWaalsContact CE1-O 3.28Å; Y461-S467 WeakPolarHBondContact CE1-O 3.42Å; Y461-S467 VanDerWaalsContact CZ-O 3.31Å; Y461-S467 PolarHBondContact OH-O 3.06Å; Y461-G469 WeakPolarHBondContact CE1-O 3.32Å; Y461-P471 HydrophobicContact CD1-CB 4.17Å; Y461-P471 VanDerWaalsContact CE1-CA 3.45Å; Y461-P471 HydrophobicContact CE1-CB 3.64Å; Y461-P471 HydrophobicContact CE1-CG 4.45Å; Y461-P471 HydrophobicContact CE2-CB 4.39Å
462P93.7Very high92.6Very high84 Ų8460 Ų6055%0.54533%0.33SS..SBendtrans-61.5-33.9176.5-18.731.5000112.2M472P462-M472 HydrophobicContact CB-SD 4.22Å; P462-M472 HydrophobicContact CG-CG 3.93Å; P462-M472 HydrophobicContact CG-SD 3.65Å
463S93Very high92.4Very high33 Ų3360.6 Ų60.623%0.23134%0.337CS..SBendtrans-153.4164.3-177.960.50000111.2Y461 S465 A466Y461-S463 PolarHBondContact O-N 3.07Å; S463-S465 VanDerWaalsContact C-N 3.3Å; S463-S465 PolarHBondContact O-N 3.15Å; S463-S465 PolarHBondContact OG-OG 2.84Å; S463-A466 PolarHBondContact O-N 3.46Å; S463-A466 VanDerWaalsContact O-N 3.15Å; S463-A466 PolarHBondContact OG-N 3.43Å
464S93.2Very high92.3Very high47 Ų4767.3 Ų67.333%0.32936%0.362SS..G310 helixtrans-59.7-38.3172.9177.70000112.4Y432 A466 S467Y432-S464 PolarHBondContact OH-N 3.42Å; S464-A466 PolarHBondContact O-N 2.92Å; S464-S467 WeakPolarHBondContact O-CB 3.49Å; S464-S467 PolarHBondContact O-N 3.45Å; S464-S467 PolarHBondContact O-OG 3.2Å
465S91.1Very high92.3Very high109 Ų10962.3 Ų62.376%0.76235%0.345SS*.G310 helixtrans-61.6-25.3175.753.50000113.9S463S463-S465 VanDerWaalsContact C-N 3.3Å; S463-S465 PolarHBondContact O-N 3.15Å; S463-S465 PolarHBondContact OG-OG 2.84Å
466A88.3Confident92.5Very high33 Ų3363.4 Ų63.427%0.27335%0.346SS..G310 helixtrans-89.4-1.3177.800000113.5Y461 S463 S464 Q468 G469Y461-A466 VanDerWaalsContact CD1-O 3.22Å; Y461-A466 WeakPolarHBondContact CD1-O 3.27Å; S463-A466 PolarHBondContact O-N 3.46Å; S463-A466 VanDerWaalsContact O-N 3.15Å; S463-A466 PolarHBondContact OG-N 3.43Å; S464-A466 PolarHBondContact O-N 2.92Å; A466-Q468 PolarHBondContact O-N 2.79Å; A466-G469 PolarHBondContact O-N 3.12Å
467S84.8Confident92.4Very high36 Ų3662.1 Ų62.125%0.25234%0.339SS..THydrogen-bonded Turntrans-62.7-25.5-175.861.30000114.2Y461 S464 G469Y461-S467 VanDerWaalsContact CE1-O 3.28Å; Y461-S467 WeakPolarHBondContact CE1-O 3.42Å; Y461-S467 VanDerWaalsContact CZ-O 3.31Å; Y461-S467 PolarHBondContact OH-O 3.06Å; S464-S467 WeakPolarHBondContact O-CB 3.49Å; S464-S467 PolarHBondContact O-N 3.45Å; S464-S467 PolarHBondContact O-OG 3.2Å; S467-G469 VanDerWaalsContact C-N 3.27Å; S467-G469 PolarHBondContact O-N 2.81Å
468Q83.7Confident92.2Very high194 Ų19463.9 Ų63.991%0.90735%0.349SS*.THydrogen-bonded Turntrans-77.3-13.2174.8-63.7-172.7-7.700113.4A466A466-Q468 PolarHBondContact O-N 2.79Å
469G88Confident91.8Very high46 Ų4664.5 Ų64.547%0.47436%0.355SS..SBendtrans-90.5-163.6-179.900000113.6Y461 A466 S467Y461-G469 WeakPolarHBondContact CE1-O 3.32Å; A466-G469 PolarHBondContact O-N 3.12Å; S467-G469 VanDerWaalsContact C-N 3.27Å; S467-G469 PolarHBondContact O-N 2.81Å
470Q90Very high91.6Very high184 Ų18464.1 Ų64.186%0.8635%0.352SS*.  trans-72.1127.9174.5-171.1176.39.500110.5
471P92.5Very high91.2Very high38 Ų3863.9 Ų63.925%0.24735%0.352CS..  trans-67.2147.7177.627.1-33.8000111.6W460 Y461 G473W460-P471 CarbonylContact O-C 3.48Å; Y461-P471 HydrophobicContact CD1-CB 4.17Å; Y461-P471 VanDerWaalsContact CE1-CA 3.45Å; Y461-P471 HydrophobicContact CE1-CB 3.64Å; Y461-P471 HydrophobicContact CE1-CG 4.45Å; Y461-P471 HydrophobicContact CE2-CB 4.39Å; P471-G473 PolarHBondContact O-N 3.16Å
472M92.6Very high91Very high108 Ų10864.5 Ų64.553%0.53236%0.356SS..SBendtrans-63.1-27.1172.5-64.8177.970.500112.1W460 P462W460-M472 WeakPolarHBondContact O-CB 3.05Å; W460-M472 PolarHBondContact O-N 3.18Å; P462-M472 HydrophobicContact CB-SD 4.22Å; P462-M472 HydrophobicContact CG-CG 3.93Å; P462-M472 HydrophobicContact CG-SD 3.65Å
473G92.6Very high90.7Very high18 Ų1862.5 Ų62.519%0.18634%0.344CS..EExtended strand (participates in β ladder)trans-171.9163.7170.400000111S459 W460 P471S459-G473 WeakPolarHBondContact CA-O 3.37Å; W460-G473 VanDerWaalsContact CE3-O 3.25Å; W460-G473 VanDerWaalsContact CZ2-CA 3.43Å; W460-G473 WeakPolarHBondContact CZ3-O 3.45Å; W460-G473 PolarHBondContact N-O 3.23Å; W460-G473 VanDerWaalsContact N-O 3.12Å; P471-G473 PolarHBondContact O-N 3.16Å
474R93.8Very high90.7Very high141 Ų14163.1 Ų63.153%0.53234%0.344SS..EExtended strand (participates in β ladder)trans-143.1140.2-176.5-171.4174.6-175.4-168.21.3109.5Y457 I458Y457-R474 HydrophobicContact CD1-CG 3.73Å; Y457-R474 VanDerWaalsContact CE2-NH2 3.35Å; Y457-R474 HydrophobicContact CG-CG 4.33Å; Y457-R474 VanDerWaalsContact CG-CZ 3.5Å; I458-R474 CarbonylContact O-C 3.58Å; I458-R474 WeakPolarHBondContact O-CA 3.5Å
475I94Very high90.5Very high15 Ų1565.6 Ų65.68%0.07735%0.35CS..EExtended strand (participates in β ladder)trans-126.8128.3178.5-65.8158.8000107.7Y457 I458 W460 L477 I499 F508Y457-I475 VanDerWaalsContact CA-O 3.29Å; Y457-I475 WeakPolarHBondContact CA-O 3.12Å; I458-I475 PolarHBondContact N-O 3.35Å; I458-I475 PolarHBondContact O-N 3.05Å; W460-I475 HydrophobicContact CH2-CD1 4.05Å; W460-I475 HydrophobicContact CH2-CG1 4.22Å; W460-I475 HydrophobicContact CZ3-CD1 3.65Å; W460-I475 HydrophobicContact CZ3-CG1 3.87Å; I475-L477 HydrophobicContact CG2-CD2 4.04Å; I475-I499 HydrophobicContact CB-CD1 4.38Å; I475-I499 HydrophobicContact CD1-CD1 3.65Å; I475-I499 HydrophobicContact CG1-CD1 3.83Å; I475-I499 HydrophobicContact CG2-CD1 3.59Å; I475-I499 HydrophobicContact CG2-CG1 3.76Å; I475-I499 HydrophobicContact CG2-CG2 4.14Å; I475-F508 HydrophobicContact CD1-CB 4.15Å; I475-F508 HydrophobicContact CD1-CD1 3.71Å; I475-F508 HydrophobicContact CD1-CD2 3.87Å; I475-F508 HydrophobicContact CD1-CE1 3.99Å; I475-F508 HydrophobicContact CD1-CE2 4.14Å; I475-F508 HydrophobicContact CD1-CG 3.63Å; I475-F508 HydrophobicContact CD1-CZ 4.19Å
476F94.7Very high90.5Very high88 Ų8861.9 Ų61.939%0.38632%0.323SS..EExtended strand (participates in β ladder)trans-84.6118.9168-175-123.3000108.8L456 Y457 K478L456-F476 HydrophobicContact CB-CD2 4Å; L456-F476 HydrophobicContact CB-CE2 3.62Å; L456-F476 HydrophobicContact CD1-CE2 3.83Å; L456-F476 HydrophobicContact CD1-CZ 4.06Å; L456-F476 HydrophobicContact CG-CE2 4.36Å; Y457-F476 HydrophobicContact CD1-CB 3.95Å; Y457-F476 AromaticContact CD1-CD2 3.93Å; Y457-F476 HydrophobicContact CD1-CD2 3.93Å; Y457-F476 HydrophobicContact CD1-CG 4.44Å; Y457-F476 HydrophobicContact CD2-CD2 4.15Å; Y457-F476 HydrophobicContact CE1-CB 3.63Å; Y457-F476 AromaticContact CE1-CD2 3.51Å; Y457-F476 HydrophobicContact CE1-CD2 3.51Å; Y457-F476 HydrophobicContact CE1-CE2 4.49Å; Y457-F476 AromaticContact CE1-CG 3.94Å; Y457-F476 HydrophobicContact CE1-CG 3.94Å; Y457-F476 AromaticContact CE2-CD2 3.72Å; Y457-F476 HydrophobicContact CE2-CD2 3.72Å; Y457-F476 HydrophobicContact CE2-CE2 4.01Å; Y457-F476 HydrophobicContact CG-CD2 4.26Å; Y457-F476 AromaticContact CZ-CD2 3.38Å; Y457-F476 AromaticContact CZ-CE2 3.95Å; F476-K478 HydrophobicContact CD1-CB 4.14Å; F476-K478 HydrophobicContact CE1-CB 3.51Å; F476-K478 HydrophobicContact CE1-CD 4.22Å; F476-K478 HydrophobicContact CE1-CG 4.39Å; F476-K478 HydrophobicContact CE2-CB 4.3Å; F476-K478 HydrophobicContact CZ-CB 3.6Å; F476-K478 HydrophobicContact CZ-CD 4.05Å; F476-K478 HydrophobicContact CZ-CG 4.46Å
477L93.9Very high90.6Very high0 Ų063 Ų630%032%0.324CS..  trans-83.9-22.4-169.5-73.4-178000114.2L453 L456 I458 I475 G479 C480 L497 A528 A529L453-L477 HydrophobicContact CD1-CD1 3.9Å; L456-L477 WeakPolarHBondContact O-CB 3.44Å; L456-L477 PolarHBondContact O-N 3.01Å; I458-L477 HydrophobicContact CD1-CD1 3.76Å; I458-L477 HydrophobicContact CD1-CD2 4.01Å; I458-L477 HydrophobicContact CD1-CG 4.25Å; I458-L477 HydrophobicContact CG1-CD1 3.71Å; I458-L477 HydrophobicContact CG1-CD2 4.35Å; I458-L477 HydrophobicContact CG1-CG 4.12Å; I475-L477 HydrophobicContact CG2-CD2 4.04Å; L477-G479 PolarHBondContact O-N 2.88Å; L477-G479 VanDerWaalsContact O-N 3.13Å; L477-C480 WeakPolarHBondContact O-CB 3.21Å; L477-C480 PolarHBondContact O-N 3.42Å; L477-C480 PolarHBondContact O-SG 3.49Å; L477-L497 HydrophobicContact CD2-CD1 4.04Å; L477-A528 HydrophobicContact CB-CB 3.73Å; L477-A528 HydrophobicContact CD1-CB 3.53Å; L477-A528 HydrophobicContact CG-CB 4.3Å; L477-A529 WeakPolarHBondContact O-CA 3.38Å
478K91.8Very high90.7Very high116 Ų11661.8 Ų61.850%0.50432%0.315SS..THydrogen-bonded Turntrans-57.1123.4-178.7-173.7-178178.5-178.70109.4L456 F476 A528L456-K478 HydrophobicContact CD1-CB 4.37Å; F476-K478 HydrophobicContact CD1-CB 4.14Å; F476-K478 HydrophobicContact CE1-CB 3.51Å; F476-K478 HydrophobicContact CE1-CD 4.22Å; F476-K478 HydrophobicContact CE1-CG 4.39Å; F476-K478 HydrophobicContact CE2-CB 4.3Å; F476-K478 HydrophobicContact CZ-CB 3.6Å; F476-K478 HydrophobicContact CZ-CD 4.05Å; F476-K478 HydrophobicContact CZ-CG 4.46Å; K478-A528 WeakPolarHBondContact CA-O 3.48Å; K478-A528 PolarHBondContact N-O 3.13Å
479G87.2Confident90.8Very high13 Ų1357 Ų5713%0.13430%0.3CS..THydrogen-bonded Turntrans95.9-10.8-176.600000115.4L477 P500 A529 R666L477-G479 PolarHBondContact O-N 2.88Å; L477-G479 VanDerWaalsContact O-N 3.13Å; G479-P500 WeakPolarHBondContact O-CG 3.22Å; G479-A529 PolarHBondContact N-O 2.84Å; G479-A529 VanDerWaalsContact N-O 3.14Å; G479-R666 VanDerWaalsContact C-CZ 3.47Å; G479-R666 VanDerWaalsContact C-NH2 3.27Å; G479-R666 PolarHBondContact O-NE 3.04Å; G479-R666 PolarHBondContact O-NH2 2.84Å; G479-R666 VanDerWaalsContact O-NH2 3.17Å
480C91.2Very high90.8Very high1 Ų160 Ų601%0.00730%0.302CS..  trans-70.9146.3-179.8-64.80000112.7L477 L498 A529 R666L477-C480 WeakPolarHBondContact O-CB 3.21Å; L477-C480 PolarHBondContact O-N 3.42Å; L477-C480 PolarHBondContact O-SG 3.49Å; C480-L498 CarbonylContact C-O 3.53Å; C480-L498 VanDerWaalsContact CA-O 3.25Å; C480-L498 WeakPolarHBondContact CA-O 3.27Å; C480-L498 WeakPolarHBondContact CB-O 3.27Å; C480-A529 WeakPolarHBondContact O-CB 3.36Å; C480-R666 PolarHBondContact O-NH2 2.96Å
481E89.2Confident90.8Very high16 Ų1654.9 Ų54.98%0.07529%0.287CS..EExtended strand (participates in β ladder)trans-92.7142.5165.3-58.1-61125.600109.7L497 L498 M505 R650 T664 R666E481-L497 WeakPolarHBondContact O-CA 3.24Å; E481-L498 HydrophobicContact CB-CB 4.02Å; E481-L498 HydrophobicContact CB-CD1 4.2Å; E481-L498 PolarHBondContact N-O 3.43Å; E481-L498 PolarHBondContact O-N 2.9Å; E481-M505 HydrophobicContact CG-CE 4.14Å; E481-R650 WeakPolarHBondContact OE1-CD 3.31Å; E481-R650 IonicContact OE1-NE 3.87Å; E481-R650 PolarHBondContact OE1-NE 3.43Å; E481-R650 VanDerWaalsContact OE1-NE 3.16Å; E481-R650 IonicContact OE2-CZ 2.73Å; E481-R650 IonicContact OE2-NE 2.7Å; E481-R650 PolarHBondContact OE2-NE 3.47Å; E481-R650 IonicContact OE2-NH2 3.64Å; E481-R650 PolarHBondContact OE2-NH2 3.4Å; E481-T664 HydrophobicContact CG-CG2 4.14Å; E481-R666 IonicContact OE1-CZ 3.28Å; E481-R666 IonicContact OE1-NE 3.26Å; E481-R666 IonicContact OE1-NH2 3.54Å; E481-R666 PolarHBondContact OE1-NH2 2.78Å
482I91.5Very high90.9Very high34 Ų3457 Ų5717%0.17429%0.292CS..EExtended strand (participates in β ladder)trans-125.2113.9-175.8-57.7163.7000107.1L495 K496 L497 L522 C525 K526 A529I482-L495 HydrophobicContact CG2-CD2 4.49Å; I482-K496 WeakPolarHBondContact CA-O 3.31Å; I482-L497 HydrophobicContact CG1-CD2 3.86Å; I482-L497 HydrophobicContact CG2-CD2 4.24Å; I482-L522 HydrophobicContact CG2-CD1 3.98Å; I482-C525 HydrophobicContact CD1-CB 3.6Å; I482-C525 VanDerWaalsContact CD1-O 3.25Å; I482-C525 WeakPolarHBondContact CD1-O 3.45Å; I482-C525 HydrophobicContact CG1-CB 4.48Å; I482-K526 HydrophobicContact CD1-CG 4.31Å; I482-A529 HydrophobicContact CD1-CB 3.75Å; I482-A529 HydrophobicContact CG1-CB 4.49Å
483S88.9Confident91Very high42 Ų4252.4 Ų52.429%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-102.6140.3170.2-54.20000109.4K496S483-K496 PolarHBondContact N-O 3.24Å; S483-K496 PolarHBondContact O-N 3.37Å
484Q91.1Very high91.1Very high47 Ų4751.7 Ų51.722%0.2226%0.261CS..EExtended strand (participates in β ladder)trans-100.1131.8-174.9-47.717553.300108.2Y518 L522 A622Q484-Y518 PolarHBondContact OE1-OH 3.1Å; Q484-L522 HydrophobicContact CG-CD1 4.22Å; Q484-L522 HydrophobicContact CG-CD2 4.45Å; Q484-A622 PolarHBondContact NE2-O 2.88Å
485E89.5Confident91.2Very high99 Ų9945 Ų4546%0.46324%0.236SC..EExtended strand (participates in β ladder)trans-129.899.2171.4-72.5-166.6-171.200109.8S494 W509E485-S494 PolarHBondContact N-O 2.65Å; E485-S494 PolarHBondContact O-N 3.02Å; E485-W509 VanDerWaalsContact CD-CZ3 3.42Å; E485-W509 HydrophobicContact CG-CZ3 4.3Å; E485-W509 WeakPolarHBondContact OE1-CH2 3.27Å; E485-W509 VanDerWaalsContact OE2-CH2 3.28Å; E485-W509 WeakPolarHBondContact OE2-CH2 3.4Å; E485-W509 WeakPolarHBondContact OE2-CZ3 3.46Å
486V91.2Very high91.2Very high31 Ų3145.7 Ų45.719%0.18824%0.238CC..EExtended strand (participates in β ladder)trans-114.3131.3-179.8-178.20000109.1L488 K492 Y493 Y518 L550V486-L488 HydrophobicContact CG1-CD2 4.18Å; V486-L488 HydrophobicContact CG1-CG 4.06Å; V486-K492 WeakPolarHBondContact CA-O 3.46Å; V486-Y493 HydrophobicContact CG1-CD1 4.01Å; V486-Y493 HydrophobicContact CG1-CE1 4.28Å; V486-Y518 HydrophobicContact CG2-CE1 3.94Å; V486-Y518 HydrophobicContact CG2-CE2 3.92Å; V486-Y518 VanDerWaalsContact CG2-CZ 3.42Å; V486-Y518 WeakPolarHBondContact CG2-OH 3.46Å; V486-L550 HydrophobicContact CG1-CD2 4.07Å
487N90.3Very high91.2Very high55 Ų5541.5 Ų41.529%0.29422%0.22SC..EExtended strand (participates in β ladder)trans-131.5101.4167.2177.8-34.8000106.7P489 E490 S491 K492N487-P489 VanDerWaalsContact OD1-CD 3.23Å; N487-P489 WeakPolarHBondContact OD1-CD 3.06Å; N487-E490 PolarHBondContact ND2-OE2 2.78Å; N487-E490 PolarHBondContact O-N 2.9Å; N487-E490 WeakPolarHBondContact OD1-CB 3.03Å; N487-E490 PolarHBondContact OD1-N 2.81Å; N487-S491 PolarHBondContact O-N 2.82Å; N487-S491 VanDerWaalsContact O-N 3.1Å; N487-K492 HydrophobicContact CB-CB 4.27Å; N487-K492 PolarHBondContact N-O 3.31Å; N487-K492 PolarHBondContact O-N 3.34Å
488L87.1Confident91.1Very high12 Ų1241.9 Ų41.96%0.06322%0.222CC..THydrogen-bonded Turntrans-64.4-46.6-177.8-68.1165.1000112.2E369 V486 E490 S491 Y493 E515 L550 Q553E369-L488 HydrophobicContact CB-CD1 4.26Å; E369-L488 HydrophobicContact CG-CD1 4.36Å; V486-L488 HydrophobicContact CG1-CD2 4.18Å; V486-L488 HydrophobicContact CG1-CG 4.06Å; L488-E490 PolarHBondContact O-N 3.06Å; L488-E490 VanDerWaalsContact O-N 3.17Å; L488-S491 PolarHBondContact O-N 3.47Å; L488-Y493 HydrophobicContact CD2-CE1 3.98Å; L488-E515 WeakPolarHBondContact CD2-OE1 3.31Å; L488-L550 HydrophobicContact CD2-CD2 4.16Å; L488-Q553 HydrophobicContact CD1-CB 3.26Å; L488-Q553 HydrophobicContact CD1-CG 4.33Å
489P86Confident91.1Very high92 Ų9237.5 Ų37.560%0.59720%0.204SC*.THydrogen-bonded Turntrans-55.2-34.7177.2-27.933.7000114.6E369 N487E369-P489 WeakPolarHBondContact OE1-CG 3.28Å; N487-P489 VanDerWaalsContact OD1-CD 3.23Å; N487-P489 WeakPolarHBondContact OD1-CD 3.06Å
490E89Confident91Very high111 Ų11139.9 Ų39.952%0.51922%0.217SC..THydrogen-bonded Turntrans-96.74.4179.1-61.7-174.7157.700113.6N487 L488 K492N487-E490 PolarHBondContact ND2-OE2 2.78Å; N487-E490 PolarHBondContact O-N 2.9Å; N487-E490 WeakPolarHBondContact OD1-CB 3.03Å; N487-E490 PolarHBondContact OD1-N 2.81Å; L488-E490 PolarHBondContact O-N 3.06Å; L488-E490 VanDerWaalsContact O-N 3.17Å; E490-K492 HydrophobicContact CB-CD 4.05Å; E490-K492 HydrophobicContact CB-CG 4.02Å; E490-K492 PolarHBondContact O-N 3.24Å; E490-K492 VanDerWaalsContact OE2-CD 3.3Å; E490-K492 WeakPolarHBondContact OE2-CD 3.42Å; E490-K492 WeakPolarHBondContact OE2-CE 3.46Å; E490-K492 IonicContact OE2-NZ 2.96Å; E490-K492 PolarHBondContact OE2-NZ 2.77Å
491S89.9Confident90.7Very high76 Ų7642 Ų4253%0.53123%0.231SC..THydrogen-bonded Turntrans47.843.4-174.1-52.70000112.9N487 L488 Y493N487-S491 PolarHBondContact O-N 2.82Å; N487-S491 VanDerWaalsContact O-N 3.1Å; L488-S491 PolarHBondContact O-N 3.47Å; S491-Y493 VanDerWaalsContact C-CE2 3.48Å; S491-Y493 WeakPolarHBondContact O-CE2 3.44Å
492K92.7Very high90.2Very high83 Ų8346 Ų4636%0.36127%0.268SS..EExtended strand (participates in β ladder)trans-103.6116.7178.7-69.6178.2-176.2166.50109.9V486 N487 E490V486-K492 WeakPolarHBondContact CA-O 3.46Å; N487-K492 HydrophobicContact CB-CB 4.27Å; N487-K492 PolarHBondContact N-O 3.31Å; N487-K492 PolarHBondContact O-N 3.34Å; E490-K492 HydrophobicContact CB-CD 4.05Å; E490-K492 HydrophobicContact CB-CG 4.02Å; E490-K492 PolarHBondContact O-N 3.24Å; E490-K492 VanDerWaalsContact OE2-CD 3.3Å; E490-K492 WeakPolarHBondContact OE2-CD 3.42Å; E490-K492 WeakPolarHBondContact OE2-CE 3.46Å; E490-K492 IonicContact OE2-NZ 2.96Å; E490-K492 PolarHBondContact OE2-NZ 2.77Å
493Y95.5Very high89.6Confident11 Ų1153.7 Ų53.74%0.04330%0.303CS..EExtended strand (participates in β ladder)trans-122.894-179.4-45.2-79.7000110V486 L488 S491 R511 C512 E515 Y518V486-Y493 HydrophobicContact CG1-CD1 4.01Å; V486-Y493 HydrophobicContact CG1-CE1 4.28Å; L488-Y493 HydrophobicContact CD2-CE1 3.98Å; S491-Y493 VanDerWaalsContact C-CE2 3.48Å; S491-Y493 WeakPolarHBondContact O-CE2 3.44Å; Y493-R511 WeakPolarHBondContact O-CA 3.4Å; Y493-C512 PolarHBondContact O-N 3.09Å; Y493-E515 HydrophobicContact CD1-CG 4.07Å; Y493-E515 HydrophobicContact CE1-CB 4.48Å; Y493-E515 HydrophobicContact CE1-CG 3.26Å; Y493-E515 HydrophobicContact CE2-CG 4.11Å; Y493-E515 VanDerWaalsContact OH-CG 3.27Å; Y493-E515 WeakPolarHBondContact OH-CG 3.48Å; Y493-E515 PolarHBondContact OH-OE1 2.84Å; Y493-Y518 HydrophobicContact CD1-CG 4.48Å; Y493-Y518 HydrophobicContact CG-CG 4.42Å
494S95.4Very high89.4Confident3 Ų352 Ų522%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-117.8147.1-174-50.70000112.1E485 I510 R511E485-S494 PolarHBondContact N-O 2.65Å; E485-S494 PolarHBondContact O-N 3.02Å; S494-I510 CarbonylContact C-O 3.56Å; S494-I510 VanDerWaalsContact CA-O 3.28Å; S494-I510 WeakPolarHBondContact CA-O 3.49Å; S494-R511 PolarHBondContact OG-NE 3.21Å; S494-R511 VanDerWaalsContact OG-NE 3.08Å
495L95.2Very high89.2Confident0 Ų051.1 Ų51.10%029%0.288CS..EExtended strand (participates in β ladder)trans-119.2123.8175.1-58.6178.6000108.1I482 W509 I510 Y518 W521 L522I482-L495 HydrophobicContact CG2-CD2 4.49Å; L495-W509 WeakPolarHBondContact O-CA 2.93Å; L495-I510 PolarHBondContact N-O 3.28Å; L495-I510 PolarHBondContact O-N 3.32Å; L495-Y518 HydrophobicContact CD2-CD2 4.12Å; L495-Y518 HydrophobicContact CD2-CE2 3.47Å; L495-Y518 VanDerWaalsContact CD2-CE2 3.47Å; L495-Y518 HydrophobicContact CG-CD2 4.42Å; L495-Y518 HydrophobicContact CG-CE2 4.19Å; L495-W521 HydrophobicContact CD1-CB 4.2Å; L495-L522 HydrophobicContact CD1-CB 4.5Å; L495-L522 HydrophobicContact CD2-CB 4.12Å; L495-L522 HydrophobicContact CD2-CD1 3.66Å; L495-L522 HydrophobicContact CD2-CG 4.39Å
496K93.9Very high89.2Confident30 Ų3048.8 Ų48.813%0.1328%0.28CS..EExtended strand (participates in β ladder)trans-97.9109.7170.3179.2-177.4-171.3-179.40108.2I482 S483 E507 W509I482-K496 WeakPolarHBondContact CA-O 3.31Å; S483-K496 PolarHBondContact N-O 3.24Å; S483-K496 PolarHBondContact O-N 3.37Å; K496-E507 WeakPolarHBondContact CE-OE1 3.14Å; K496-E507 VanDerWaalsContact CE-OE2 3.24Å; K496-E507 WeakPolarHBondContact CE-OE2 3.32Å; K496-E507 IonicContact NZ-OE1 2.68Å; K496-E507 PolarHBondContact NZ-OE1 2.96Å; K496-E507 IonicContact NZ-OE2 2.74Å; K496-E507 PolarHBondContact NZ-OE2 3.14Å; K496-W509 HydrophobicContact CB-CD2 4.05Å; K496-W509 HydrophobicContact CB-CE3 4.15Å; K496-W509 HydrophobicContact CB-CH2 4.28Å; K496-W509 HydrophobicContact CB-CZ2 4.12Å; K496-W509 HydrophobicContact CB-CZ3 4.26Å; K496-W509 HydrophobicContact CD-CH2 4.19Å; K496-W509 HydrophobicContact CD-CZ2 3.55Å; K496-W509 HydrophobicContact CG-CD2 4.2Å; K496-W509 HydrophobicContact CG-CH2 4.49Å; K496-W509 HydrophobicContact CG-CZ2 3.86Å
497L94.2Very high89.1Confident0 Ų050.4 Ų50.40%029%0.286CS..EExtended strand (participates in β ladder)trans-93.1120.3175.3-51.3179.5000109I458 L477 E481 I482 I499 E507 F508 I510I458-L497 HydrophobicContact CD1-CD1 4.02Å; L477-L497 HydrophobicContact CD2-CD1 4.04Å; E481-L497 WeakPolarHBondContact O-CA 3.24Å; I482-L497 HydrophobicContact CG1-CD2 3.86Å; I482-L497 HydrophobicContact CG2-CD2 4.24Å; L497-I499 HydrophobicContact CB-CG1 4.48Å; L497-E507 CarbonylContact O-C 3.57Å; L497-E507 WeakPolarHBondContact O-CA 3.37Å; L497-F508 WeakPolarHBondContact CA-O 3.45Å; L497-F508 HydrophobicContact CB-CB 4.42Å; L497-F508 WeakPolarHBondContact CB-O 3.46Å; L497-F508 HydrophobicContact CD1-CD1 4.31Å; L497-F508 PolarHBondContact N-O 3.46Å; L497-F508 PolarHBondContact O-N 3.01Å; L497-I510 HydrophobicContact CD1-CD1 3.69Å; L497-I510 HydrophobicContact CD1-CG1 4.32Å
498L92.1Very high89.2Confident7 Ų748 Ų484%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-100.3111.7169.9-63.3175.4000108.1C480 E481 M505 E507C480-L498 CarbonylContact C-O 3.53Å; C480-L498 VanDerWaalsContact CA-O 3.25Å; C480-L498 WeakPolarHBondContact CA-O 3.27Å; C480-L498 WeakPolarHBondContact CB-O 3.27Å; E481-L498 HydrophobicContact CB-CB 4.02Å; E481-L498 HydrophobicContact CB-CD1 4.2Å; E481-L498 PolarHBondContact N-O 3.43Å; E481-L498 PolarHBondContact O-N 2.9Å; L498-M505 HydrophobicContact CB-CB 4.22Å; L498-M505 HydrophobicContact CB-CE 3.77Å; L498-M505 WeakPolarHBondContact O-CE 3.44Å; L498-E507 HydrophobicContact CD2-CB 4.2Å; L498-E507 HydrophobicContact CD2-CG 3.64Å
499I91.4Very high89.6Confident25 Ų2549 Ų4913%0.12828%0.276CS..EExtended strand (participates in β ladder)trans-101.4123.4-171.7-55.1154.3000108.8I475 L497 S501 T506 F508I475-I499 HydrophobicContact CB-CD1 4.38Å; I475-I499 HydrophobicContact CD1-CD1 3.65Å; I475-I499 HydrophobicContact CG1-CD1 3.83Å; I475-I499 HydrophobicContact CG2-CD1 3.59Å; I475-I499 HydrophobicContact CG2-CG1 3.76Å; I475-I499 HydrophobicContact CG2-CG2 4.14Å; L497-I499 HydrophobicContact CB-CG1 4.48Å; I499-S501 PolarHBondContact O-N 3.24Å; I499-T506 PolarHBondContact N-O 3.42Å; I499-T506 PolarHBondContact O-N 2.81Å; I499-T506 PolarHBondContact O-OG1 2.91Å; I499-F508 HydrophobicContact CD1-CB 3.69Å
500P86.7Confident90.1Very high63 Ų6344.6 Ų44.641%0.40925%0.247SC..EExtended strand (participates in β ladder)trans-57137175.4-23.332.7000112.1G479 M505G479-P500 WeakPolarHBondContact O-CG 3.22Å; P500-M505 HydrophobicContact CB-SD 4.33Å; P500-M505 HydrophobicContact CG-CE 4.02Å; P500-M505 HydrophobicContact CG-SD 4.26Å
501S84.1Confident90.4Very high44 Ų4441.7 Ų41.731%0.30823%0.231SC..EExtended strand (participates in β ladder)trans-145165.4176.573.30000109.7I499 E503 G504I499-S501 PolarHBondContact O-N 3.24Å; S501-E503 PolarHBondContact O-N 2.63Å; S501-E503 VanDerWaalsContact O-N 3.15Å; S501-G504 CarbonylContact C-O 3.49Å; S501-G504 WeakPolarHBondContact CA-O 3.39Å; S501-G504 PolarHBondContact N-O 3.02Å; S501-G504 PolarHBondContact O-N 2.75Å; S501-G504 PolarHBondContact OG-N 2.73Å; S501-G504 PolarHBondContact OG-O 3.46Å
502A78.7Confident90.7Very high102 Ų10238.2 Ų38.284%0.84321%0.207SC*.THydrogen-bonded Turntrans-57.2-31179.400000113.3
503E79.6Confident90.9Very high195 Ų19536.8 Ų36.891%0.91120%0.203SC*.THydrogen-bonded Turntrans-90.2-3.1-179.4-64.5-175.8-177.300114S501S501-E503 PolarHBondContact O-N 2.63Å; S501-E503 VanDerWaalsContact O-N 3.15Å
504G83.7Confident90.8Very high5 Ų539.8 Ų39.85%0.05222%0.223CC..EExtended strand (participates in β ladder)trans129.9-142.7-172.900000112S501S501-G504 CarbonylContact C-O 3.49Å; S501-G504 WeakPolarHBondContact CA-O 3.39Å; S501-G504 PolarHBondContact N-O 3.02Å; S501-G504 PolarHBondContact O-N 2.75Å; S501-G504 PolarHBondContact OG-N 2.73Å; S501-G504 PolarHBondContact OG-O 3.46Å
505M87Confident90.8Very high29 Ų2941.4 Ų41.414%0.14323%0.23CC..EExtended strand (participates in β ladder)trans-98.9132.9178.8-54.3-59.3-76.900111.6E481 L498 P500 V662E481-M505 HydrophobicContact CG-CE 4.14Å; L498-M505 HydrophobicContact CB-CB 4.22Å; L498-M505 HydrophobicContact CB-CE 3.77Å; L498-M505 WeakPolarHBondContact O-CE 3.44Å; P500-M505 HydrophobicContact CB-SD 4.33Å; P500-M505 HydrophobicContact CG-CE 4.02Å; P500-M505 HydrophobicContact CG-SD 4.26Å; M505-V662 PolarHBondContact N-O 3.34Å
506T88.8Confident90.8Very high50 Ų5047 Ų4731%0.30725%0.252SS..EExtended strand (participates in β ladder)trans-103.2134.3172.458.80000110.8I499I499-T506 PolarHBondContact N-O 3.42Å; I499-T506 PolarHBondContact O-N 2.81Å; I499-T506 PolarHBondContact O-OG1 2.91Å
507E89.8Confident91Very high66 Ų6646.4 Ų46.431%0.30825%0.25SS..EExtended strand (participates in β ladder)trans-90.6138.4-176-41.9-162.7151.700112.3P438 K496 L497 L498P438-E507 HydrophobicContact CG-CB 4.19Å; K496-E507 WeakPolarHBondContact CE-OE1 3.14Å; K496-E507 VanDerWaalsContact CE-OE2 3.24Å; K496-E507 WeakPolarHBondContact CE-OE2 3.32Å; K496-E507 IonicContact NZ-OE1 2.68Å; K496-E507 PolarHBondContact NZ-OE1 2.96Å; K496-E507 IonicContact NZ-OE2 2.74Å; K496-E507 PolarHBondContact NZ-OE2 3.14Å; L497-E507 CarbonylContact O-C 3.57Å; L497-E507 WeakPolarHBondContact O-CA 3.37Å; L498-E507 HydrophobicContact CD2-CB 4.2Å; L498-E507 HydrophobicContact CD2-CG 3.64Å
508F93.1Very high91.1Very high3 Ų346.6 Ų46.61%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-141.7128.2172.4-168.9-90.6000110.3F435 R437 F451 W460 I475 L497 I499 I510F435-F508 HydrophobicContact CB-CE1 4.18Å; F435-F508 HydrophobicContact CB-CZ 4.02Å; F435-F508 AromaticContact CD2-CE2 3.98Å; F435-F508 HydrophobicContact CD2-CE2 3.98Å; F435-F508 AromaticContact CD2-CZ 3.71Å; F435-F508 HydrophobicContact CD2-CZ 3.71Å; F435-F508 HydrophobicContact CG-CZ 4.13Å; R437-F508 HydrophobicContact CB-CD2 4.26Å; R437-F508 HydrophobicContact CB-CE2 4.49Å; R437-F508 HydrophobicContact CG-CD2 4.28Å; F451-F508 AromaticContact CE1-CE1 3.98Å; F451-F508 HydrophobicContact CE1-CE1 3.98Å; F451-F508 HydrophobicContact CE1-CZ 4.18Å; F451-F508 HydrophobicContact CZ-CE1 4.24Å; F451-F508 HydrophobicContact CZ-CZ 4.17Å; W460-F508 HydrophobicContact CD2-CZ 4.39Å; W460-F508 HydrophobicContact CE3-CZ 4.17Å; W460-F508 AromaticContact CH2-CE2 3.83Å; W460-F508 HydrophobicContact CH2-CE2 3.83Å; W460-F508 AromaticContact CH2-CZ 4Å; W460-F508 HydrophobicContact CH2-CZ 4Å; W460-F508 HydrophobicContact CZ2-CE2 4.04Å; W460-F508 HydrophobicContact CZ2-CZ 4.22Å; W460-F508 HydrophobicContact CZ3-CE2 4.24Å; W460-F508 AromaticContact CZ3-CZ 3.98Å; W460-F508 HydrophobicContact CZ3-CZ 3.98Å; I475-F508 HydrophobicContact CD1-CB 4.15Å; I475-F508 HydrophobicContact CD1-CD1 3.71Å; I475-F508 HydrophobicContact CD1-CD2 3.87Å; I475-F508 HydrophobicContact CD1-CE1 3.99Å; I475-F508 HydrophobicContact CD1-CE2 4.14Å; I475-F508 HydrophobicContact CD1-CG 3.63Å; I475-F508 HydrophobicContact CD1-CZ 4.19Å; L497-F508 WeakPolarHBondContact CA-O 3.45Å; L497-F508 HydrophobicContact CB-CB 4.42Å; L497-F508 WeakPolarHBondContact CB-O 3.46Å; L497-F508 HydrophobicContact CD1-CD1 4.31Å; L497-F508 PolarHBondContact N-O 3.46Å; L497-F508 PolarHBondContact O-N 3.01Å; I499-F508 HydrophobicContact CD1-CB 3.69Å; F508-I510 HydrophobicContact CD1-CD1 4.33Å; F508-I510 HydrophobicContact CD1-CG1 3.9Å; F508-I510 HydrophobicContact CE1-CD1 4.12Å; F508-I510 HydrophobicContact CE1-CG1 3.71Å
509W94.6Very high91.4Very high33 Ų3346.2 Ų46.213%0.12525%0.249CC..EExtended strand (participates in β ladder)trans-110.6136.4-173.8-70.371000111.1F435 Y436 W446 E485 L495 K496F435-W509 CarbonylContact C-O 3.56Å; F435-W509 WeakPolarHBondContact CA-O 3.13Å; F435-W509 VanDerWaalsContact CB-O 3.29Å; F435-W509 WeakPolarHBondContact CB-O 3.44Å; Y436-W509 HydrophobicContact CD1-CB 4.39Å; Y436-W509 HydrophobicContact CD1-CG 4.22Å; Y436-W509 PolarHBondContact N-O 3.18Å; Y436-W509 WeakPolarHBondContact O-CB 3.34Å; Y436-W509 PolarHBondContact O-N 3.37Å; W446-W509 HydrophobicContact CH2-CB 3.86Å; W446-W509 HydrophobicContact CH2-CE3 4.21Å; W446-W509 HydrophobicContact CZ3-CB 4.24Å; E485-W509 VanDerWaalsContact CD-CZ3 3.42Å; E485-W509 HydrophobicContact CG-CZ3 4.3Å; E485-W509 WeakPolarHBondContact OE1-CH2 3.27Å; E485-W509 VanDerWaalsContact OE2-CH2 3.28Å; E485-W509 WeakPolarHBondContact OE2-CH2 3.4Å; E485-W509 WeakPolarHBondContact OE2-CZ3 3.46Å; L495-W509 WeakPolarHBondContact O-CA 2.93Å; K496-W509 HydrophobicContact CB-CD2 4.05Å; K496-W509 HydrophobicContact CB-CE3 4.15Å; K496-W509 HydrophobicContact CB-CH2 4.28Å; K496-W509 HydrophobicContact CB-CZ2 4.12Å; K496-W509 HydrophobicContact CB-CZ3 4.26Å; K496-W509 HydrophobicContact CD-CH2 4.19Å; K496-W509 HydrophobicContact CD-CZ2 3.55Å; K496-W509 HydrophobicContact CG-CD2 4.2Å; K496-W509 HydrophobicContact CG-CH2 4.49Å; K496-W509 HydrophobicContact CG-CZ2 3.86Å
510I95.9Very high91.7Very high0 Ų048.8 Ų48.80%026%0.257CS..EExtended strand (participates in β ladder)trans-123.9140.9174.4-57.8179.1000107.9L433 R434 F451 I458 S494 L495 L497 F508L433-I510 HydrophobicContact CB-CG2 3.99Å; L433-I510 HydrophobicContact CD1-CG2 3.4Å; L433-I510 VanDerWaalsContact CD1-CG2 3.4Å; L433-I510 HydrophobicContact CG-CG2 4.23Å; R434-I510 CarbonylContact O-C 3.58Å; R434-I510 WeakPolarHBondContact O-CA 3.24Å; F451-I510 HydrophobicContact CD1-CD1 4.44Å; F451-I510 HydrophobicContact CE1-CD1 4.22Å; F451-I510 HydrophobicContact CE1-CG1 4.45Å; I458-I510 HydrophobicContact CD1-CD1 3.77Å; S494-I510 CarbonylContact C-O 3.56Å; S494-I510 VanDerWaalsContact CA-O 3.28Å; S494-I510 WeakPolarHBondContact CA-O 3.49Å; L495-I510 PolarHBondContact N-O 3.28Å; L495-I510 PolarHBondContact O-N 3.32Å; L497-I510 HydrophobicContact CD1-CD1 3.69Å; L497-I510 HydrophobicContact CD1-CG1 4.32Å; F508-I510 HydrophobicContact CD1-CD1 4.33Å; F508-I510 HydrophobicContact CD1-CG1 3.9Å; F508-I510 HydrophobicContact CE1-CD1 4.12Å; F508-I510 HydrophobicContact CE1-CG1 3.71Å
511R96.2Very high92.2Very high50 Ų5045.8 Ų45.819%0.18924%0.237CC..EExtended strand (participates in β ladder)trans-130.3128.8175.6175.7179.8-63.4173-2.2110R434 W446 Y493 S494R434-R511 HydrophobicContact CB-CB 4.2Å; R434-R511 PolarHBondContact N-O 2.88Å; R434-R511 PolarHBondContact O-N 2.87Å; W446-R511 VanDerWaalsContact CE2-CZ 3.44Å; W446-R511 VanDerWaalsContact CE2-NH2 3.34Å; W446-R511 HydrophobicContact CE3-CB 3.99Å; W446-R511 HydrophobicContact CH2-CB 3.87Å; W446-R511 VanDerWaalsContact CZ2-CZ 3.46Å; W446-R511 HydrophobicContact CZ3-CB 3.41Å; W446-R511 VanDerWaalsContact CZ3-CB 3.41Å; Y493-R511 WeakPolarHBondContact O-CA 3.4Å; S494-R511 PolarHBondContact OG-NE 3.21Å; S494-R511 VanDerWaalsContact OG-NE 3.08Å
512C97.1Very high92.8Very high3 Ų343.7 Ų43.72%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-92.7152.2177-55.10000109.9Y493 Q517Y493-C512 PolarHBondContact O-N 3.09Å; C512-Q517 VanDerWaalsContact CA-OE1 3.29Å; C512-Q517 HydrophobicContact CB-CB 4.24Å; C512-Q517 HydrophobicContact CB-CG 4.04Å
513D95.2Very high93.6Very high53 Ų5338.8 Ų38.828%0.28318%0.182SC..SBendtrans-88.3-22.4179.6-72-31.6000111.9R434 R448R434-D513 IonicContact CZ-OD1 2.75Å; R434-D513 IonicContact NE-OD1 2.64Å; R434-D513 PolarHBondContact NE-OD1 3.46Å; R434-D513 IonicContact NH2-OD1 2.73Å; R434-D513 PolarHBondContact NH2-OD1 3.04Å; R448-D513 IonicContact CZ-OD2 2.69Å; R448-D513 IonicContact NH1-OD2 3.7Å; R448-D513 IonicContact NH2-OD2 3.53Å; R448-D513 PolarHBondContact NH2-OD2 3.15Å
514T95.1Very high94.4Very high74 Ų7429.6 Ų29.645%0.45414%0.139SC..SBendtrans-137.5160.2-178.568.10000112.3Q517 Y518T514-Q517 PolarHBondContact O-N 3.26Å; T514-Q517 VanDerWaalsContact OG1-CB 3.23Å; T514-Q517 WeakPolarHBondContact OG1-CB 3.21Å; T514-Q517 PolarHBondContact OG1-N 3.15Å; T514-Y518 WeakPolarHBondContact O-CB 3.48Å; T514-Y518 PolarHBondContact O-N 3.29Å
515E94.3Very high95.1Very high38 Ų3829.3 Ų29.318%0.17814%0.137CC..Hα-helixtrans-62.7-42.6176.6-72.1174.8-168.600112.8L488 Y493 Q517 Y518 A519 L550 H554L488-E515 WeakPolarHBondContact CD2-OE1 3.31Å; Y493-E515 HydrophobicContact CD1-CG 4.07Å; Y493-E515 HydrophobicContact CE1-CB 4.48Å; Y493-E515 HydrophobicContact CE1-CG 3.26Å; Y493-E515 HydrophobicContact CE2-CG 4.11Å; Y493-E515 VanDerWaalsContact OH-CG 3.27Å; Y493-E515 WeakPolarHBondContact OH-CG 3.48Å; Y493-E515 PolarHBondContact OH-OE1 2.84Å; E515-Q517 VanDerWaalsContact C-N 3.34Å; E515-Q517 PolarHBondContact O-N 3.47Å; E515-Y518 WeakPolarHBondContact O-CB 3.44Å; E515-Y518 PolarHBondContact O-N 2.87Å; E515-A519 WeakPolarHBondContact O-CB 3.3Å; E515-A519 PolarHBondContact O-N 2.94Å; E515-L550 HydrophobicContact CB-CD1 4.06Å; E515-L550 HydrophobicContact CG-CD1 4.18Å; E515-H554 IonicContact OE1-CE1 3.36Å; E515-H554 PolarHBondContact OE1-CE1 3.05Å; E515-H554 IonicContact OE1-NE2 2.82Å; E515-H554 PolarHBondContact OE1-NE2 2.8Å; E515-H554 IonicContact OE2-CD2 3.31Å; E515-H554 IonicContact OE2-CE1 2.78Å; E515-H554 IonicContact OE2-NE2 3.55Å; E515-H554 PolarHBondContact OE2-NE2 2.8Å
516Y95.6Very high95.4Very high117 Ų11730.2 Ų30.246%0.45914%0.14SC..Hα-helixtrans-63.5-42.6177.7-176.2-111.7000111.5A519 R520 V543Y516-A519 PolarHBondContact O-N 2.99Å; Y516-R520 VanDerWaalsContact CE1-CD 3.48Å; Y516-R520 HydrophobicContact CE1-CG 4.39Å; Y516-R520 HydrophobicContact CE2-CG 4.46Å; Y516-R520 WeakPolarHBondContact O-CG 3.49Å; Y516-R520 PolarHBondContact O-N 2.94Å; Y516-R520 VanDerWaalsContact O-N 3.13Å; Y516-V543 HydrophobicContact CE2-CG1 4.48Å
517Q97.1Very high95.6Very high18 Ų1828.3 Ų28.38%0.08413%0.128CC..Hα-helixtrans-62.1-47.3173.8-174-178.965.900110.3D431 L433 C512 T514 E515 A519 R520 W521D431-Q517 PolarHBondContact OD1-NE2 3.39Å; D431-Q517 VanDerWaalsContact OD1-NE2 3.09Å; L433-Q517 VanDerWaalsContact CD2-CD 3.42Å; L433-Q517 HydrophobicContact CD2-CG 3.98Å; C512-Q517 VanDerWaalsContact CA-OE1 3.29Å; C512-Q517 HydrophobicContact CB-CB 4.24Å; C512-Q517 HydrophobicContact CB-CG 4.04Å; T514-Q517 PolarHBondContact O-N 3.26Å; T514-Q517 VanDerWaalsContact OG1-CB 3.23Å; T514-Q517 WeakPolarHBondContact OG1-CB 3.21Å; T514-Q517 PolarHBondContact OG1-N 3.15Å; E515-Q517 VanDerWaalsContact C-N 3.34Å; E515-Q517 PolarHBondContact O-N 3.47Å; Q517-A519 PolarHBondContact O-N 2.93Å; Q517-R520 PolarHBondContact O-N 3.48Å; Q517-W521 PolarHBondContact O-N 3.05Å
518Y97.3Very high95.8Very high3 Ų325.2 Ų25.21%0.01211%0.114CC..Hα-helixtrans-56-48.3176.5169.8-97.5000113Q484 V486 Y493 L495 T514 E515 R520 W521 L522 I546 L550Q484-Y518 PolarHBondContact OE1-OH 3.1Å; V486-Y518 HydrophobicContact CG2-CE1 3.94Å; V486-Y518 HydrophobicContact CG2-CE2 3.92Å; V486-Y518 VanDerWaalsContact CG2-CZ 3.42Å; V486-Y518 WeakPolarHBondContact CG2-OH 3.46Å; Y493-Y518 HydrophobicContact CD1-CG 4.48Å; Y493-Y518 HydrophobicContact CG-CG 4.42Å; L495-Y518 HydrophobicContact CD2-CD2 4.12Å; L495-Y518 HydrophobicContact CD2-CE2 3.47Å; L495-Y518 VanDerWaalsContact CD2-CE2 3.47Å; L495-Y518 HydrophobicContact CG-CD2 4.42Å; L495-Y518 HydrophobicContact CG-CE2 4.19Å; T514-Y518 WeakPolarHBondContact O-CB 3.48Å; T514-Y518 PolarHBondContact O-N 3.29Å; E515-Y518 WeakPolarHBondContact O-CB 3.44Å; E515-Y518 PolarHBondContact O-N 2.87Å; Y518-R520 VanDerWaalsContact C-N 3.34Å; Y518-R520 PolarHBondContact O-N 3.49Å; Y518-W521 PolarHBondContact O-N 3.23Å; Y518-L522 HydrophobicContact CE1-CD2 3.91Å; Y518-L522 VanDerWaalsContact O-CB 3.29Å; Y518-L522 WeakPolarHBondContact O-CB 3.36Å; Y518-L522 PolarHBondContact O-N 2.95Å; Y518-I546 HydrophobicContact CD1-CG2 4.29Å; Y518-I546 HydrophobicContact CE1-CG2 4.02Å; Y518-L550 HydrophobicContact CD1-CD1 3.9Å; Y518-L550 HydrophobicContact CE1-CD1 4.23Å
519A97.1Very high95.7Very high0 Ų025.3 Ų25.30%012%0.115CC..Hα-helixtrans-59.7-44.3179.700000111.7E515 Y516 Q517 A523 V543 I546 R547E515-A519 WeakPolarHBondContact O-CB 3.3Å; E515-A519 PolarHBondContact O-N 2.94Å; Y516-A519 PolarHBondContact O-N 2.99Å; Q517-A519 PolarHBondContact O-N 2.93Å; A519-A523 VanDerWaalsContact O-CB 3.28Å; A519-A523 WeakPolarHBondContact O-CB 3.38Å; A519-A523 PolarHBondContact O-N 3.34Å; A519-V543 HydrophobicContact CB-CG1 4.16Å; A519-I546 HydrophobicContact CB-CB 4.05Å; A519-I546 HydrophobicContact CB-CG2 3.75Å; A519-R547 HydrophobicContact CB-CG 3.7Å
520R97.6Very high95.5Very high78 Ų7829.6 Ų29.629%0.29414%0.135SC..Hα-helixtrans-61.4-45.1176.1-72.4-178.270.8-1753.8112.7L429 Y516 Q517 Y518 A524 Y539 V543L429-R520 HydrophobicContact CD1-CB 4.25Å; L429-R520 VanDerWaalsContact CD1-CZ 3.41Å; L429-R520 HydrophobicContact CD2-CB 4.36Å; Y516-R520 VanDerWaalsContact CE1-CD 3.48Å; Y516-R520 HydrophobicContact CE1-CG 4.39Å; Y516-R520 HydrophobicContact CE2-CG 4.46Å; Y516-R520 WeakPolarHBondContact O-CG 3.49Å; Y516-R520 PolarHBondContact O-N 2.94Å; Y516-R520 VanDerWaalsContact O-N 3.13Å; Q517-R520 PolarHBondContact O-N 3.48Å; Y518-R520 VanDerWaalsContact C-N 3.34Å; Y518-R520 PolarHBondContact O-N 3.49Å; R520-A524 VanDerWaalsContact O-CB 3.26Å; R520-A524 WeakPolarHBondContact O-CB 3.1Å; R520-A524 PolarHBondContact O-N 3.46Å; R520-A524 VanDerWaalsContact O-N 3.09Å; R520-Y539 PolarHBondContact O-OH 3.38Å; R520-V543 HydrophobicContact CG-CG1 4.09Å; R520-V543 HydrophobicContact CG-CG2 4.32Å
521W97.8Very high95.2Very high0 Ų031 Ų310%015%0.149CC..Hα-helixtrans-73.6-38.2-178.8-81.790.7000112.6L429 D431 L433 F451 L453 I458 L495 Q517 Y518 C525L429-W521 HydrophobicContact CD2-CD2 3.59Å; L429-W521 HydrophobicContact CD2-CE3 4.12Å; L429-W521 HydrophobicContact CD2-CG 3.8Å; L429-W521 HydrophobicContact CD2-CH2 4.48Å; L429-W521 HydrophobicContact CD2-CZ2 4Å; L429-W521 HydrophobicContact CG-CD2 4.31Å; L429-W521 HydrophobicContact CG-CH2 4.47Å; L429-W521 HydrophobicContact CG-CZ2 3.82Å; D431-W521 HydrophobicContact CB-CZ2 4.04Å; D431-W521 PolarHBondContact OD2-NE1 3.41Å; L433-W521 HydrophobicContact CD1-CD2 3.65Å; L433-W521 HydrophobicContact CD1-CE3 3.9Å; L433-W521 HydrophobicContact CD1-CG 4.27Å; L433-W521 HydrophobicContact CD1-CH2 3.97Å; L433-W521 HydrophobicContact CD1-CZ2 3.71Å; L433-W521 HydrophobicContact CD1-CZ3 4.04Å; L433-W521 HydrophobicContact CG-CZ2 4.46Å; F451-W521 HydrophobicContact CB-CH2 3.57Å; F451-W521 HydrophobicContact CB-CZ2 3.98Å; F451-W521 HydrophobicContact CB-CZ3 4.32Å; L453-W521 HydrophobicContact CB-CH2 4Å; L453-W521 HydrophobicContact CB-CZ3 3.8Å; L453-W521 HydrophobicContact CD1-CE3 4.41Å; L453-W521 HydrophobicContact CD1-CZ3 4.21Å; I458-W521 HydrophobicContact CD1-CZ3 4.15Å; I458-W521 HydrophobicContact CG1-CZ3 4.26Å; L495-W521 HydrophobicContact CD1-CB 4.2Å; Q517-W521 PolarHBondContact O-N 3.05Å; Y518-W521 PolarHBondContact O-N 3.23Å; W521-C525 VanDerWaalsContact O-CB 3.26Å; W521-C525 WeakPolarHBondContact O-CB 3.46Å; W521-C525 PolarHBondContact O-N 3.18Å; W521-C525 PolarHBondContact O-SG 3.1Å
522L96.8Very high95Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-64.4-49.2175.6176.561.5000110.9I482 Q484 L495 Y518 A524 C525 K526 I546I482-L522 HydrophobicContact CG2-CD1 3.98Å; Q484-L522 HydrophobicContact CG-CD1 4.22Å; Q484-L522 HydrophobicContact CG-CD2 4.45Å; L495-L522 HydrophobicContact CD1-CB 4.5Å; L495-L522 HydrophobicContact CD2-CB 4.12Å; L495-L522 HydrophobicContact CD2-CD1 3.66Å; L495-L522 HydrophobicContact CD2-CG 4.39Å; Y518-L522 HydrophobicContact CE1-CD2 3.91Å; Y518-L522 VanDerWaalsContact O-CB 3.29Å; Y518-L522 WeakPolarHBondContact O-CB 3.36Å; Y518-L522 PolarHBondContact O-N 2.95Å; L522-A524 PolarHBondContact O-N 2.86Å; L522-C525 PolarHBondContact O-N 3.11Å; L522-K526 HydrophobicContact CD1-CD 4.27Å; L522-K526 HydrophobicContact CD1-CG 4.06Å; L522-K526 HydrophobicContact CG-CD 4.29Å; L522-K526 HydrophobicContact CG-CG 4.46Å; L522-K526 WeakPolarHBondContact O-CB 3.47Å; L522-K526 WeakPolarHBondContact O-CG 3.34Å; L522-K526 PolarHBondContact O-N 2.84Å; L522-I546 HydrophobicContact CB-CD1 4.04Å; L522-I546 HydrophobicContact CD2-CD1 3.76Å; L522-I546 HydrophobicContact CD2-CG1 4.1Å; L522-I546 HydrophobicContact CD2-CG2 4.19Å; L522-I546 HydrophobicContact CG-CD1 3.85Å
523A96.3Very high94.8Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-58.4-47.4177.500000111.5A519 K526 L527 Y539 E542 V543 I546A519-A523 VanDerWaalsContact O-CB 3.28Å; A519-A523 WeakPolarHBondContact O-CB 3.38Å; A519-A523 PolarHBondContact O-N 3.34Å; A523-K526 PolarHBondContact O-N 2.84Å; A523-L527 WeakPolarHBondContact O-CG 3.31Å; A523-L527 PolarHBondContact O-N 3.42Å; A523-Y539 HydrophobicContact CB-CD2 3.96Å; A523-Y539 HydrophobicContact CB-CE2 3.85Å; A523-E542 HydrophobicContact CB-CB 4.02Å; A523-E542 HydrophobicContact CB-CG 3.67Å; A523-V543 HydrophobicContact CB-CG2 3.56Å; A523-I546 HydrophobicContact CB-CD1 3.97Å
524A96.8Very high94.7Very high1 Ų133.4 Ų33.41%0.00816%0.162CC..Hα-helixtrans-62.9-45.1179.100000111.9L429 L453 R520 L522 L527 A528 M534 Y539L429-A524 HydrophobicContact CD2-CB 4.04Å; L453-A524 HydrophobicContact CD1-CB 3.74Å; L453-A524 HydrophobicContact CD2-CB 4.32Å; R520-A524 VanDerWaalsContact O-CB 3.26Å; R520-A524 WeakPolarHBondContact O-CB 3.1Å; R520-A524 PolarHBondContact O-N 3.46Å; R520-A524 VanDerWaalsContact O-N 3.09Å; L522-A524 PolarHBondContact O-N 2.86Å; A524-L527 PolarHBondContact O-N 2.95Å; A524-A528 WeakPolarHBondContact O-CB 3.36Å; A524-A528 PolarHBondContact O-N 3.5Å; A524-M534 HydrophobicContact CB-CG 3.83Å; A524-M534 HydrophobicContact CB-SD 3.59Å; A524-M534 VanDerWaalsContact CB-SD 3.59Å; A524-Y539 HydrophobicContact CB-CE2 3.88Å
525C96.6Very high94.5Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-61.9-45.6176.3-70.60000111.5I482 W521 L522 L527 A528 A529I482-C525 HydrophobicContact CD1-CB 3.6Å; I482-C525 VanDerWaalsContact CD1-O 3.25Å; I482-C525 WeakPolarHBondContact CD1-O 3.45Å; I482-C525 HydrophobicContact CG1-CB 4.48Å; W521-C525 VanDerWaalsContact O-CB 3.26Å; W521-C525 WeakPolarHBondContact O-CB 3.46Å; W521-C525 PolarHBondContact O-N 3.18Å; W521-C525 PolarHBondContact O-SG 3.1Å; L522-C525 PolarHBondContact O-N 3.11Å; C525-L527 VanDerWaalsContact C-N 3.33Å; C525-L527 PolarHBondContact O-N 2.64Å; C525-A528 PolarHBondContact O-N 2.79Å; C525-A529 VanDerWaalsContact O-CB 3.27Å; C525-A529 WeakPolarHBondContact O-CB 3.21Å; C525-A529 PolarHBondContact O-N 3.32Å
526K93.6Very high94.2Very high47 Ų4733.3 Ų33.320%0.20417%0.169CC..Hα-helixtrans-59.4-42.1178.4-79.5-176.9-178.3-179.40111.9I482 L522 A523 K530 E542I482-K526 HydrophobicContact CD1-CG 4.31Å; L522-K526 HydrophobicContact CD1-CD 4.27Å; L522-K526 HydrophobicContact CD1-CG 4.06Å; L522-K526 HydrophobicContact CG-CD 4.29Å; L522-K526 HydrophobicContact CG-CG 4.46Å; L522-K526 WeakPolarHBondContact O-CB 3.47Å; L522-K526 WeakPolarHBondContact O-CG 3.34Å; L522-K526 PolarHBondContact O-N 2.84Å; A523-K526 PolarHBondContact O-N 2.84Å; K526-K530 WeakPolarHBondContact O-CG 3.24Å; K526-K530 PolarHBondContact O-N 2.94Å; K526-E542 WeakPolarHBondContact CD-OE1 3.41Å; K526-E542 IonicContact NZ-OE1 3.23Å; K526-E542 PolarHBondContact NZ-OE1 2.85Å
527L92.7Very high93.8Very high10 Ų1033.2 Ų33.25%0.05219%0.186CC..Hα-helixtrans-65.4-49.6175.3-73.1177.4000111.6A523 A524 C525 A529 K530 G531 K532 S538 Y539A523-L527 WeakPolarHBondContact O-CG 3.31Å; A523-L527 PolarHBondContact O-N 3.42Å; A524-L527 PolarHBondContact O-N 2.95Å; C525-L527 VanDerWaalsContact C-N 3.33Å; C525-L527 PolarHBondContact O-N 2.64Å; L527-A529 VanDerWaalsContact C-N 3.29Å; L527-A529 PolarHBondContact O-N 2.97Å; L527-K530 CarbonylContact O-C 3.6Å; L527-K530 WeakPolarHBondContact O-CA 3.15Å; L527-K530 WeakPolarHBondContact O-CB 3.42Å; L527-K530 PolarHBondContact O-N 3.45Å; L527-G531 PolarHBondContact O-N 3.02Å; L527-G531 VanDerWaalsContact O-N 3.15Å; L527-K532 CarbonylContact C-O 3.6Å; L527-K532 HydrophobicContact CB-CB 4.2Å; L527-K532 HydrophobicContact CD2-CB 4.18Å; L527-K532 HydrophobicContact CD2-CD 4.13Å; L527-K532 PolarHBondContact O-N 3.31Å; L527-S538 WeakPolarHBondContact CD2-OG 3.49Å; L527-Y539 HydrophobicContact CD1-CD2 3.92Å; L527-Y539 HydrophobicContact CD1-CG 4.22Å
528A94.9Very high93.4Very high1 Ų134.1 Ų34.11%0.00819%0.194CC..Hα-helixtrans-63.3-36.1-178.600000112.1L456 L477 K478 A524 C525 K530 G531 K532L456-A528 HydrophobicContact CD2-CB 4.11Å; L477-A528 HydrophobicContact CB-CB 3.73Å; L477-A528 HydrophobicContact CD1-CB 3.53Å; L477-A528 HydrophobicContact CG-CB 4.3Å; K478-A528 WeakPolarHBondContact CA-O 3.48Å; K478-A528 PolarHBondContact N-O 3.13Å; A524-A528 WeakPolarHBondContact O-CB 3.36Å; A524-A528 PolarHBondContact O-N 3.5Å; C525-A528 PolarHBondContact O-N 2.79Å; A528-K530 PolarHBondContact O-N 2.7Å; A528-G531 WeakPolarHBondContact O-CA 3.4Å; A528-G531 PolarHBondContact O-N 3.04Å; A528-K532 VanDerWaalsContact CA-O 3.25Å; A528-K532 WeakPolarHBondContact CA-O 3.41Å; A528-K532 PolarHBondContact N-O 3.43Å
529A92.1Very high93.2Very high6 Ų634.9 Ų34.95%0.0520%0.197CC..Hα-helixtrans-61.1-30.3172.300000113.3L477 G479 C480 I482 C525 L527 G531 R666L477-A529 WeakPolarHBondContact O-CA 3.38Å; G479-A529 PolarHBondContact N-O 2.84Å; G479-A529 VanDerWaalsContact N-O 3.14Å; C480-A529 WeakPolarHBondContact O-CB 3.36Å; I482-A529 HydrophobicContact CD1-CB 3.75Å; I482-A529 HydrophobicContact CG1-CB 4.49Å; C525-A529 VanDerWaalsContact O-CB 3.27Å; C525-A529 WeakPolarHBondContact O-CB 3.21Å; C525-A529 PolarHBondContact O-N 3.32Å; L527-A529 VanDerWaalsContact C-N 3.29Å; L527-A529 PolarHBondContact O-N 2.97Å; A529-G531 VanDerWaalsContact C-N 3.31Å; A529-R666 PolarHBondContact O-NH1 3.2Å
530K89.3Confident93.1Very high123 Ų12339.3 Ų39.354%0.53522%0.221SC..THydrogen-bonded Turntrans-85.2-1.4172.4-65172.7-177.6178.30112.9K526 L527 A528K526-K530 WeakPolarHBondContact O-CG 3.24Å; K526-K530 PolarHBondContact O-N 2.94Å; L527-K530 CarbonylContact O-C 3.6Å; L527-K530 WeakPolarHBondContact O-CA 3.15Å; L527-K530 WeakPolarHBondContact O-CB 3.42Å; L527-K530 PolarHBondContact O-N 3.45Å; A528-K530 PolarHBondContact O-N 2.7Å
531G90.3Very high92.7Very high28 Ų2840 Ų4029%0.28923%0.233SC..THydrogen-bonded Turntrans80.416.1-177.400000114.3L527 A528 A529L527-G531 PolarHBondContact O-N 3.02Å; L527-G531 VanDerWaalsContact O-N 3.15Å; A528-G531 WeakPolarHBondContact O-CA 3.4Å; A528-G531 PolarHBondContact O-N 3.04Å; A529-G531 VanDerWaalsContact C-N 3.31Å
532K91.7Very high92.5Very high94 Ų9442.7 Ų42.741%0.40925%0.246SC..  trans-102.5146.9176-66.7176.7161.6-137.90110.3L456 L527 A528 D536L456-K532 WeakPolarHBondContact CD2-O 3.26Å; L527-K532 CarbonylContact C-O 3.6Å; L527-K532 HydrophobicContact CB-CB 4.2Å; L527-K532 HydrophobicContact CD2-CB 4.18Å; L527-K532 HydrophobicContact CD2-CD 4.13Å; L527-K532 PolarHBondContact O-N 3.31Å; A528-K532 VanDerWaalsContact CA-O 3.25Å; A528-K532 WeakPolarHBondContact CA-O 3.41Å; A528-K532 PolarHBondContact N-O 3.43Å; K532-D536 HydrophobicContact CB-CB 4.37Å; K532-D536 WeakPolarHBondContact CD-OD1 3.3Å; K532-D536 WeakPolarHBondContact CE-OD1 3.43Å; K532-D536 IonicContact NZ-OD1 2.88Å; K532-D536 PolarHBondContact NZ-OD1 3.14Å; K532-D536 IonicContact NZ-OD2 2.85Å
533T93.2Very high92.4Very high48 Ų4842.9 Ų42.929%0.29425%0.247SC..  trans-92.8171.1176.569.70000110.7L456 A535 D536L456-T533 HydrophobicContact CD2-CG2 4.29Å; T533-A535 PolarHBondContact O-N 2.93Å; T533-A535 VanDerWaalsContact O-N 3.14Å; T533-A535 WeakPolarHBondContact OG1-CB 3.44Å; T533-A535 PolarHBondContact OG1-N 3.34Å; T533-D536 VanDerWaalsContact O-CB 3.31Å; T533-D536 WeakPolarHBondContact O-CB 3.22Å; T533-D536 PolarHBondContact O-N 2.76Å
534M93.1Very high92.3Very high16 Ų1646.2 Ų46.28%0.07927%0.265CS..THydrogen-bonded Turntrans-68-4.7173.1-66.9179.3-62.800113.8P427 L429 L453 A524 Y539P427-M534 HydrophobicContact CB-CB 4.13Å; P427-M534 HydrophobicContact CB-CE 4.48Å; P427-M534 VanDerWaalsContact O-CE 3.32Å; P427-M534 WeakPolarHBondContact O-CE 3.49Å; L429-M534 HydrophobicContact CB-CE 3.73Å; L429-M534 HydrophobicContact CB-SD 3.67Å; L429-M534 HydrophobicContact CD2-SD 4.36Å; L453-M534 HydrophobicContact CD2-CE 3.85Å; L453-M534 HydrophobicContact CD2-CG 4.48Å; L453-M534 HydrophobicContact CD2-SD 4.22Å; L453-M534 VanDerWaalsContact O-CE 3.26Å; L453-M534 WeakPolarHBondContact O-CE 3.35Å; A524-M534 HydrophobicContact CB-CG 3.83Å; A524-M534 HydrophobicContact CB-SD 3.59Å; A524-M534 VanDerWaalsContact CB-SD 3.59Å; M534-Y539 HydrophobicContact CB-CD1 4.17Å; M534-Y539 HydrophobicContact CB-CD2 4.37Å; M534-Y539 HydrophobicContact CB-CE1 4.46Å; M534-Y539 HydrophobicContact CB-CG 4.13Å; M534-Y539 HydrophobicContact CG-CD1 4.48Å; M534-Y539 HydrophobicContact CG-CD2 3.97Å; M534-Y539 HydrophobicContact CG-CE1 4.47Å; M534-Y539 HydrophobicContact CG-CE2 3.95Å; M534-Y539 HydrophobicContact CG-CG 4.24Å; M534-Y539 HydrophobicContact SD-CE1 4.37Å; M534-Y539 HydrophobicContact SD-CE2 4.08Å
535A89.9Confident92Very high67 Ų6748 Ų4855%0.55428%0.278SS*.THydrogen-bonded Turntrans-76.6-13.4169.500000112.3P427 T533 S537P427-A535 HydrophobicContact CG-CB 4.04Å; T533-A535 PolarHBondContact O-N 2.93Å; T533-A535 VanDerWaalsContact O-N 3.14Å; T533-A535 WeakPolarHBondContact OG1-CB 3.44Å; T533-A535 PolarHBondContact OG1-N 3.34Å; A535-S537 PolarHBondContact O-N 3.47Å
536D88.2Confident91.9Very high42 Ų4248.6 Ų48.623%0.22528%0.28CS..SBendtrans-63.3133.3172.6-172.1111.4000109.7K532 T533 S538 Y539K532-D536 HydrophobicContact CB-CB 4.37Å; K532-D536 WeakPolarHBondContact CD-OD1 3.3Å; K532-D536 WeakPolarHBondContact CE-OD1 3.43Å; K532-D536 IonicContact NZ-OD1 2.88Å; K532-D536 PolarHBondContact NZ-OD1 3.14Å; K532-D536 IonicContact NZ-OD2 2.85Å; T533-D536 VanDerWaalsContact O-CB 3.31Å; T533-D536 WeakPolarHBondContact O-CB 3.22Å; T533-D536 PolarHBondContact O-N 2.76Å; D536-S538 PolarHBondContact O-N 2.87Å; D536-S538 VanDerWaalsContact OD2-CB 3.27Å; D536-S538 WeakPolarHBondContact OD2-CB 3.46Å; D536-S538 PolarHBondContact OD2-N 3.32Å; D536-S538 PolarHBondContact OD2-OG 3.24Å; D536-Y539 WeakPolarHBondContact O-CB 3.28Å; D536-Y539 PolarHBondContact O-N 3.45Å
537S87.8Confident91.9Very high115 Ų11551 Ų5180%0.80429%0.288SS*.THydrogen-bonded Turntrans-59.3-19.9-175.654.60000113.6A535 Y539A535-S537 PolarHBondContact O-N 3.47Å; S537-Y539 VanDerWaalsContact C-N 3.3Å; S537-Y539 PolarHBondContact O-N 2.7Å
538S88.6Confident91.9Very high38 Ų3857.5 Ų57.527%0.26631%0.312SS..Hα-helixtrans-76.6-9.6177.565.90000114.8L527 D536 T541 E542L527-S538 WeakPolarHBondContact CD2-OG 3.49Å; D536-S538 PolarHBondContact O-N 2.87Å; D536-S538 VanDerWaalsContact OD2-CB 3.27Å; D536-S538 WeakPolarHBondContact OD2-CB 3.46Å; D536-S538 PolarHBondContact OD2-N 3.32Å; D536-S538 PolarHBondContact OD2-OG 3.24Å; S538-T541 WeakPolarHBondContact CA-OG1 3.35Å; S538-T541 PolarHBondContact O-OG1 3.15Å; S538-E542 VanDerWaalsContact O-CB 3.31Å; S538-E542 WeakPolarHBondContact O-CB 3.44Å; S538-E542 PolarHBondContact O-N 3.25Å
539Y93.3Very high91.7Very high19 Ų1958.3 Ų58.38%0.07532%0.316CS..Hα-helixtrans-59.8-55.4-176.6174.1-117.9000112.7R520 A523 A524 L527 M534 D536 S537 T541 E542 V543R520-Y539 PolarHBondContact O-OH 3.38Å; A523-Y539 HydrophobicContact CB-CD2 3.96Å; A523-Y539 HydrophobicContact CB-CE2 3.85Å; A524-Y539 HydrophobicContact CB-CE2 3.88Å; L527-Y539 HydrophobicContact CD1-CD2 3.92Å; L527-Y539 HydrophobicContact CD1-CG 4.22Å; M534-Y539 HydrophobicContact CB-CD1 4.17Å; M534-Y539 HydrophobicContact CB-CD2 4.37Å; M534-Y539 HydrophobicContact CB-CE1 4.46Å; M534-Y539 HydrophobicContact CB-CG 4.13Å; M534-Y539 HydrophobicContact CG-CD1 4.48Å; M534-Y539 HydrophobicContact CG-CD2 3.97Å; M534-Y539 HydrophobicContact CG-CE1 4.47Å; M534-Y539 HydrophobicContact CG-CE2 3.95Å; M534-Y539 HydrophobicContact CG-CG 4.24Å; M534-Y539 HydrophobicContact SD-CE1 4.37Å; M534-Y539 HydrophobicContact SD-CE2 4.08Å; D536-Y539 WeakPolarHBondContact O-CB 3.28Å; D536-Y539 PolarHBondContact O-N 3.45Å; S537-Y539 VanDerWaalsContact C-N 3.3Å; S537-Y539 PolarHBondContact O-N 2.7Å; Y539-T541 PolarHBondContact O-N 3.25Å; Y539-E542 PolarHBondContact O-N 2.75Å; Y539-V543 HydrophobicContact CD2-CG2 4.25Å; Y539-V543 HydrophobicContact CE1-CG2 4.44Å; Y539-V543 HydrophobicContact CE2-CG2 3.8Å; Y539-V543 WeakPolarHBondContact O-CG2 3.3Å; Y539-V543 PolarHBondContact O-N 3.5Å
540L93.8Very high91.6Very high93 Ų9358.3 Ų58.349%0.48732%0.316SS..Hα-helixtrans-65.7-40.4-176.8-66.3176.5000111.5E542 V543 D544L540-E542 VanDerWaalsContact C-N 3.31Å; L540-E542 PolarHBondContact O-N 3.1Å; L540-V543 WeakPolarHBondContact O-CB 3.49Å; L540-V543 PolarHBondContact O-N 3.16Å; L540-D544 PolarHBondContact O-N 2.78Å
541T90.7Very high91.6Very high91 Ų9156.5 Ų56.556%0.55831%0.311SS*.Hα-helixtrans-63.8-36.1176.754.70000112.6S538 Y539 S545S538-T541 WeakPolarHBondContact CA-OG1 3.35Å; S538-T541 PolarHBondContact O-OG1 3.15Å; Y539-T541 PolarHBondContact O-N 3.25Å; T541-S545 VanDerWaalsContact O-CB 3.28Å; T541-S545 WeakPolarHBondContact O-CB 3.48Å; T541-S545 PolarHBondContact O-N 2.77Å
542E92.2Very high91.5Very high57 Ų5755.8 Ų55.827%0.26630%0.301SS..Hα-helixtrans-68.9-39.8174.6-178.171.7-173.200110.8A523 K526 S538 Y539 L540 S545 I546A523-E542 HydrophobicContact CB-CB 4.02Å; A523-E542 HydrophobicContact CB-CG 3.67Å; K526-E542 WeakPolarHBondContact CD-OE1 3.41Å; K526-E542 IonicContact NZ-OE1 3.23Å; K526-E542 PolarHBondContact NZ-OE1 2.85Å; S538-E542 VanDerWaalsContact O-CB 3.31Å; S538-E542 WeakPolarHBondContact O-CB 3.44Å; S538-E542 PolarHBondContact O-N 3.25Å; Y539-E542 PolarHBondContact O-N 2.75Å; L540-E542 VanDerWaalsContact C-N 3.31Å; L540-E542 PolarHBondContact O-N 3.1Å; E542-S545 PolarHBondContact O-N 3.01Å; E542-I546 HydrophobicContact CG-CD1 3.93Å; E542-I546 WeakPolarHBondContact O-CD1 3.37Å; E542-I546 VanDerWaalsContact O-CG1 3.25Å; E542-I546 WeakPolarHBondContact O-CG1 3.47Å; E542-I546 PolarHBondContact O-N 3.4Å
543V95.5Very high91.3Very high4 Ų452.5 Ų52.52%0.02429%0.287CS..Hα-helixtrans-59-48.6174.3173.20000110.7Y516 A519 R520 A523 Y539 L540 S545 I546 R547Y516-V543 HydrophobicContact CE2-CG1 4.48Å; A519-V543 HydrophobicContact CB-CG1 4.16Å; R520-V543 HydrophobicContact CG-CG1 4.09Å; R520-V543 HydrophobicContact CG-CG2 4.32Å; A523-V543 HydrophobicContact CB-CG2 3.56Å; Y539-V543 HydrophobicContact CD2-CG2 4.25Å; Y539-V543 HydrophobicContact CE1-CG2 4.44Å; Y539-V543 HydrophobicContact CE2-CG2 3.8Å; Y539-V543 WeakPolarHBondContact O-CG2 3.3Å; Y539-V543 PolarHBondContact O-N 3.5Å; L540-V543 WeakPolarHBondContact O-CB 3.49Å; L540-V543 PolarHBondContact O-N 3.16Å; V543-S545 VanDerWaalsContact C-N 3.34Å; V543-S545 PolarHBondContact O-N 3.18Å; V543-I546 PolarHBondContact O-N 2.93Å; V543-R547 VanDerWaalsContact O-CG 3.32Å; V543-R547 WeakPolarHBondContact O-CG 3.39Å; V543-R547 PolarHBondContact O-N 2.81Å
544D93.6Very high90.9Very high70 Ų7053 Ų5337%0.37429%0.286SS..Hα-helixtrans-66.4-37.2179.9-67.3-29.7000112L540 R547 R548L540-D544 PolarHBondContact O-N 2.78Å; D544-R547 PolarHBondContact O-N 2.86Å; D544-R548 VanDerWaalsContact O-CG 3.29Å; D544-R548 WeakPolarHBondContact O-CG 3.36Å; D544-R548 PolarHBondContact O-N 3.27Å
545S91.4Very high89.9Confident40 Ų4057 Ų5728%0.2831%0.313SS..Hα-helixtrans-60.3-47.7173.9-175.20000112T541 E542 V543 R547 R548 L549T541-S545 VanDerWaalsContact O-CB 3.28Å; T541-S545 WeakPolarHBondContact O-CB 3.48Å; T541-S545 PolarHBondContact O-N 2.77Å; E542-S545 PolarHBondContact O-N 3.01Å; V543-S545 VanDerWaalsContact C-N 3.34Å; V543-S545 PolarHBondContact O-N 3.18Å; S545-R547 VanDerWaalsContact C-N 3.34Å; S545-R547 PolarHBondContact O-N 3.24Å; S545-R548 PolarHBondContact O-N 3.5Å; S545-L549 WeakPolarHBondContact O-CG 3.44Å; S545-L549 PolarHBondContact O-N 2.98Å; S545-L549 VanDerWaalsContact O-N 3.09Å
546I93.9Very high88.7Confident11 Ų1154.8 Ų54.86%0.05630%0.295CS..Hα-helixtrans-62.2-42.9177.8-66.3158.2000110.7Y518 A519 L522 A523 E542 V543 L549 L550Y518-I546 HydrophobicContact CD1-CG2 4.29Å; Y518-I546 HydrophobicContact CE1-CG2 4.02Å; A519-I546 HydrophobicContact CB-CB 4.05Å; A519-I546 HydrophobicContact CB-CG2 3.75Å; L522-I546 HydrophobicContact CB-CD1 4.04Å; L522-I546 HydrophobicContact CD2-CD1 3.76Å; L522-I546 HydrophobicContact CD2-CG1 4.1Å; L522-I546 HydrophobicContact CD2-CG2 4.19Å; L522-I546 HydrophobicContact CG-CD1 3.85Å; A523-I546 HydrophobicContact CB-CD1 3.97Å; E542-I546 HydrophobicContact CG-CD1 3.93Å; E542-I546 WeakPolarHBondContact O-CD1 3.37Å; E542-I546 VanDerWaalsContact O-CG1 3.25Å; E542-I546 WeakPolarHBondContact O-CG1 3.47Å; E542-I546 PolarHBondContact O-N 3.4Å; V543-I546 PolarHBondContact O-N 2.93Å; I546-L549 PolarHBondContact O-N 3.41Å; I546-L550 HydrophobicContact CG2-CD1 4.19Å; I546-L550 WeakPolarHBondContact O-CG 3.41Å; I546-L550 PolarHBondContact O-N 3.12Å; I546-L550 VanDerWaalsContact O-N 3.07Å
547R94.3Very high87.2Confident98 Ų9857.8 Ų57.837%0.3732%0.316SS..Hα-helixtrans-61.5-47.9178.1-71.7176.669.2-165.1-2.4111.8A519 V543 D544 S545 L549 L550 D551A519-R547 HydrophobicContact CB-CG 3.7Å; V543-R547 VanDerWaalsContact O-CG 3.32Å; V543-R547 WeakPolarHBondContact O-CG 3.39Å; V543-R547 PolarHBondContact O-N 2.81Å; D544-R547 PolarHBondContact O-N 2.86Å; S545-R547 VanDerWaalsContact C-N 3.34Å; S545-R547 PolarHBondContact O-N 3.24Å; R547-L549 PolarHBondContact O-N 3.08Å; R547-L550 PolarHBondContact O-N 2.83Å; R547-D551 PolarHBondContact O-N 3.29Å
548R91.2Very high85.2Confident146 Ų14657.6 Ų57.655%0.55132%0.315SS*.Hα-helixtrans-57.2-38.8177.1-72.8172.5-177.11780.5112.1D544 S545 D551 M552D544-R548 VanDerWaalsContact O-CG 3.29Å; D544-R548 WeakPolarHBondContact O-CG 3.36Å; D544-R548 PolarHBondContact O-N 3.27Å; S545-R548 PolarHBondContact O-N 3.5Å; R548-D551 PolarHBondContact O-N 3.01Å; R548-M552 WeakPolarHBondContact O-CG 3.37Å; R548-M552 PolarHBondContact O-N 3.15Å; R548-M552 VanDerWaalsContact O-N 3.1Å
549L90.6Very high82.9Confident18 Ų1863.2 Ų63.29%0.09434%0.337CS..Hα-helixtrans-64.8-41.2175.2-73.8170.8000112.5S545 I546 R547 M552 Q553 A619 A622S545-L549 WeakPolarHBondContact O-CG 3.44Å; S545-L549 PolarHBondContact O-N 2.98Å; S545-L549 VanDerWaalsContact O-N 3.09Å; I546-L549 PolarHBondContact O-N 3.41Å; R547-L549 PolarHBondContact O-N 3.08Å; L549-M552 HydrophobicContact CD2-CE 3.76Å; L549-M552 HydrophobicContact CG-CE 4.48Å; L549-Q553 WeakPolarHBondContact O-CG 3.23Å; L549-Q553 PolarHBondContact O-N 2.67Å; L549-Q553 PolarHBondContact O-NE2 3.06Å; L549-A619 HydrophobicContact CD2-CB 3.65Å; L549-A622 HydrophobicContact CD1-CB 3.6Å
550L91.8Very high80.3Confident7 Ų768.4 Ų68.44%0.03737%0.373CS..Hα-helixtrans-67.3-42.4175.5-65169.6000111.4V486 L488 E515 Y518 I546 R547 M552 Q553 H554V486-L550 HydrophobicContact CG1-CD2 4.07Å; L488-L550 HydrophobicContact CD2-CD2 4.16Å; E515-L550 HydrophobicContact CB-CD1 4.06Å; E515-L550 HydrophobicContact CG-CD1 4.18Å; Y518-L550 HydrophobicContact CD1-CD1 3.9Å; Y518-L550 HydrophobicContact CE1-CD1 4.23Å; I546-L550 HydrophobicContact CG2-CD1 4.19Å; I546-L550 WeakPolarHBondContact O-CG 3.41Å; I546-L550 PolarHBondContact O-N 3.12Å; I546-L550 VanDerWaalsContact O-N 3.07Å; R547-L550 PolarHBondContact O-N 2.83Å; L550-M552 VanDerWaalsContact C-N 3.29Å; L550-M552 PolarHBondContact O-N 3.31Å; L550-Q553 PolarHBondContact O-N 3.22Å; L550-H554 PolarHBondContact O-CD2 3.48Å; L550-H554 PolarHBondContact O-N 2.9Å
551D89.2Confident77.6Confident84 Ų8467 Ų6745%0.44937%0.37SS..Hα-helixtrans-57.9-41178.2-66.8-24.6000111.4R547 R548 Q553 H554R547-D551 PolarHBondContact O-N 3.29Å; R548-D551 PolarHBondContact O-N 3.01Å; D551-Q553 VanDerWaalsContact C-N 3.27Å; D551-Q553 PolarHBondContact O-N 2.98Å; D551-H554 PolarHBondContact O-N 2.84Å
552M87Confident75Confident14 Ų1470.6 Ų70.67%0.06938%0.381CS..Hα-helixtrans-68.2-22.9177.1-72.4-174.9-65.600113.9M373 L377 R548 L549 L550 N603 V604M373-M552 HydrophobicContact CG-CB 3.96Å; M373-M552 HydrophobicContact SD-CB 3.76Å; M373-M552 HydrophobicContact SD-CE 4.23Å; L377-M552 HydrophobicContact CD2-SD 4.5Å; R548-M552 WeakPolarHBondContact O-CG 3.37Å; R548-M552 PolarHBondContact O-N 3.15Å; R548-M552 VanDerWaalsContact O-N 3.1Å; L549-M552 HydrophobicContact CD2-CE 3.76Å; L549-M552 HydrophobicContact CG-CE 4.48Å; L550-M552 VanDerWaalsContact C-N 3.29Å; L550-M552 PolarHBondContact O-N 3.31Å; M552-N603 PolarHBondContact O-ND2 3.29Å; M552-V604 HydrophobicContact CB-CG1 4.47Å; M552-V604 HydrophobicContact CG-CG1 3.98Å; M552-V604 HydrophobicContact SD-CG1 3.84Å
553Q88.3Confident72.4Confident25 Ų2572 Ų7212%0.11741%0.41CS..Hα-helixtrans-89.2-12.7-178.6-68.7175.33800113.7E369 M373 L488 L549 L550 D551E369-Q553 HydrophobicContact CB-CB 4.38Å; M373-Q553 HydrophobicContact CB-CG 4.07Å; M373-Q553 HydrophobicContact CE-CG 4.08Å; M373-Q553 HydrophobicContact CG-CG 4.35Å; M373-Q553 HydrophobicContact SD-CG 3.57Å; M373-Q553 VanDerWaalsContact SD-CG 3.57Å; L488-Q553 HydrophobicContact CD1-CB 3.26Å; L488-Q553 HydrophobicContact CD1-CG 4.33Å; L549-Q553 WeakPolarHBondContact O-CG 3.23Å; L549-Q553 PolarHBondContact O-N 2.67Å; L549-Q553 PolarHBondContact O-NE2 3.06Å; L550-Q553 PolarHBondContact O-N 3.22Å; D551-Q553 VanDerWaalsContact C-N 3.27Å; D551-Q553 PolarHBondContact O-N 2.98Å
554H84.6Confident69.6Low58 Ų5879.4 Ų79.427%0.26944%0.444SS..SBendtrans-67.2143.6179.1-85.5-65.1000111.9E515 L550 D551 A556 N603E515-H554 IonicContact OE1-CE1 3.36Å; E515-H554 PolarHBondContact OE1-CE1 3.05Å; E515-H554 IonicContact OE1-NE2 2.82Å; E515-H554 PolarHBondContact OE1-NE2 2.8Å; E515-H554 IonicContact OE2-CD2 3.31Å; E515-H554 IonicContact OE2-CE1 2.78Å; E515-H554 IonicContact OE2-NE2 3.55Å; E515-H554 PolarHBondContact OE2-NE2 2.8Å; L550-H554 PolarHBondContact O-CD2 3.48Å; L550-H554 PolarHBondContact O-N 2.9Å; D551-H554 PolarHBondContact O-N 2.84Å; H554-A556 PolarHBondContact O-N 2.89Å; H554-N603 PolarHBondContact O-ND2 3.05Å
555P72.5Confident67.1Low101 Ų10180.7 Ų80.766%0.65646%0.458SS*.PPolyproline II helixtrans-60.4131.3165.925.4-30.3000108.7
556A63.5Low64.9Low20 Ų2080.8 Ų80.817%0.16546%0.457CS..PPolyproline II helixtrans-52.4138.2-175.400000111.3H554 S558 E599 Q602H554-A556 PolarHBondContact O-N 2.89Å; A556-S558 PolarHBondContact O-N 3.26Å; A556-S558 VanDerWaalsContact O-N 3.1Å; A556-E599 WeakPolarHBondContact CB-O 3.39Å; A556-Q602 HydrophobicContact CB-CB 3.98Å; A556-Q602 HydrophobicContact CB-CG 4.5Å
557P57.1Low62.8Low104 Ų10486.1 Ų86.168%0.67549%0.491SS*.PPolyproline II helixtrans-61.6119.8178.521.9-29.5000108.8H559P557-H559 VanDerWaalsContact C-N 3.28Å; P557-H559 PolarHBondContact O-N 3.28Å
558S45.7Very low60.8Low111 Ų11186 Ų8678%0.77650%0.501SS*.  trans-6291.8173.6600000108.6A556 P560A556-S558 PolarHBondContact O-N 3.26Å; A556-S558 VanDerWaalsContact O-N 3.1Å; S558-P560 VanDerWaalsContact O-CD 3.28Å; S558-P560 WeakPolarHBondContact O-CD 3.32Å
559H40.2Very low59.1Low157 Ų15780 Ų8073%0.72748%0.481SS*.  trans-62.5122.2170.2-121.3-75.8000107.2P557 S561P557-H559 VanDerWaalsContact C-N 3.28Å; P557-H559 PolarHBondContact O-N 3.28Å; H559-S561 PolarHBondContact O-N 2.88Å
560P39.7Very low57.4Low127 Ų12785.6 Ų85.683%0.82552%0.518SS*.  trans-71.812.3-178.7-15.229.4000114.1S558 H562S558-P560 VanDerWaalsContact O-CD 3.28Å; S558-P560 WeakPolarHBondContact O-CD 3.32Å; P560-H562 PolarHBondContact O-N 3Å; P560-H562 VanDerWaalsContact O-N 3.14Å
561S37Very low55.9Low63 Ų6386.5 Ų86.544%0.44152%0.522SS..SBendtrans-82.195.2179.450.10000110.5H559H559-S561 PolarHBondContact O-N 2.88Å
562H36Very low54.6Low168 Ų16888.5 Ų88.578%0.77853%0.533SS*.THydrogen-bonded Turntrans35.197.7151.4-64.8-69.7000117.4P560 H564P560-H562 PolarHBondContact O-N 3Å; P560-H562 VanDerWaalsContact O-N 3.14Å; H562-H564 PolarHBondContact O-CD2 2.72Å; H562-H564 PolarHBondContact O-N 2.91Å
563G36.6Very low53.8Low85 Ų8588.7 Ų88.788%0.87653%0.534SS*.THydrogen-bonded Turntrans59.115.4136.700000118.8S565G563-S565 VanDerWaalsContact C-N 3.34Å; G563-S565 PolarHBondContact O-N 2.85Å
564H37.9Very low53.2Low161 Ų16188.7 Ų88.775%0.74554%0.535SS*.  trans-72.196.9169.7-67.2-65.3000107.6H562 V566H562-H564 PolarHBondContact O-CD2 2.72Å; H562-H564 PolarHBondContact O-N 2.91Å; H564-V566 PolarHBondContact O-N 2.83Å; H564-V566 VanDerWaalsContact O-N 3.09Å
565S40Very low52.5Low96 Ų9685.9 Ų85.967%0.67152%0.523SS*.  trans-44.3120.7158.553.10000107G563 T567G563-S565 VanDerWaalsContact C-N 3.34Å; G563-S565 PolarHBondContact O-N 2.85Å; S565-T567 PolarHBondContact O-N 3.2Å
566V46.5Very low52.5Low42 Ų4285.1 Ų85.126%0.25551%0.51SS..  trans-46.3112.2168178.10000105.6H564 V568 L598H564-V566 PolarHBondContact O-N 2.83Å; H564-V566 VanDerWaalsContact O-N 3.09Å; V566-V568 VanDerWaalsContact C-N 3.32Å; V566-V568 PolarHBondContact O-N 3.42Å; V566-L598 HydrophobicContact CG1-CB 3.61Å; V566-L598 HydrophobicContact CG1-CD1 3.63Å; V566-L598 HydrophobicContact CG1-CG 4.16Å
567T49.1Very low53.3Low124 Ų12485.4 Ų85.476%0.76151%0.508SS*.  trans-69.2102.2-176.8-47.20000104.7S565 P569S565-T567 PolarHBondContact O-N 3.2Å; T567-P569 WeakPolarHBondContact O-CD 3.02Å; T567-P569 VanDerWaalsContact O-N 3.12Å
568V52.2Low54.7Low95 Ų9580.8 Ų80.858%0.57648%0.477SS*.  trans-55.1121.9177.5-1790000105.4V566 L598V566-V568 VanDerWaalsContact C-N 3.32Å; V566-V568 PolarHBondContact O-N 3.42Å; V568-L598 HydrophobicContact CG2-CD1 4.49Å
569P55.7Low56.8Low21 Ų2175.6 Ų75.614%0.13644%0.441CS..  trans-54.5143.4176.6-17.226000108.3L383 T567 I571 L598L383-P569 HydrophobicContact CD2-CB 3.84Å; L383-P569 HydrophobicContact CD2-CG 4.5Å; T567-P569 WeakPolarHBondContact O-CD 3.02Å; T567-P569 VanDerWaalsContact O-N 3.12Å; P569-I571 HydrophobicContact CB-CG1 4.33Å; P569-I571 PolarHBondContact O-N 3.3Å; P569-L598 VanDerWaalsContact CD-CD2 3.43Å; P569-L598 HydrophobicContact CG-CD2 3.64Å
570P55.4Low59.1Low134 Ų13468.1 Ų68.187%0.8741%0.406SS*.SBendtrans-63.44.1-178.226.3-34.2000114.2
571I58.9Low61.2Low26 Ų2664.2 Ų64.213%0.13338%0.378CS..SBendtrans-79.1139.4-178.1-52.9179.6000110L379 Q382 L383 E386 P569 F573L379-I571 HydrophobicContact CD1-CD1 4.44Å; Q382-I571 HydrophobicContact CG-CD1 4.21Å; L383-I571 HydrophobicContact CD2-CD1 3.42Å; L383-I571 VanDerWaalsContact CD2-CD1 3.42Å; L383-I571 HydrophobicContact CD2-CG1 4.26Å; L383-I571 HydrophobicContact CG-CD1 4.05Å; E386-I571 VanDerWaalsContact OE2-CD1 3.27Å; E386-I571 WeakPolarHBondContact OE2-CD1 3.33Å; E386-I571 VanDerWaalsContact OE2-CG1 3.32Å; E386-I571 WeakPolarHBondContact OE2-CG1 3.4Å; P569-I571 HydrophobicContact CB-CG1 4.33Å; P569-I571 PolarHBondContact O-N 3.3Å; I571-F573 PolarHBondContact O-N 2.81Å
572D63.8Low63.6Low127 Ų12764.5 Ų64.568%0.67937%0.371SS*.  trans-65.984.1164.7-167.10.4000109.7T574 R590D572-T574 PolarHBondContact O-N 3.15Å; D572-R590 IonicContact OD1-NH2 3.45Å; D572-R590 PolarHBondContact OD1-NH2 3.4Å
573F69.5Low66Low17 Ų1757.8 Ų57.88%0.07534%0.34CS..  trans-77.8106-176.3-175.8-90.2000110.3L379 I571 P575 Y578 R590 V594 V597L379-F573 HydrophobicContact CD1-CD2 4.23Å; L379-F573 HydrophobicContact CD1-CE2 4.38Å; L379-F573 HydrophobicContact CD2-CE2 4.44Å; I571-F573 PolarHBondContact O-N 2.81Å; F573-P575 HydrophobicContact CD1-CG 4.05Å; F573-P575 HydrophobicContact CE1-CB 3.95Å; F573-P575 HydrophobicContact CE1-CG 3.88Å; F573-P575 WeakPolarHBondContact O-CD 3.41Å; F573-Y578 HydrophobicContact CD2-CD2 4.21Å; F573-Y578 AromaticContact CD2-CE2 3.95Å; F573-Y578 HydrophobicContact CD2-CE2 3.95Å; F573-Y578 AromaticContact CE2-CD1 3.87Å; F573-Y578 HydrophobicContact CE2-CD1 3.87Å; F573-Y578 AromaticContact CE2-CD2 3.65Å; F573-Y578 HydrophobicContact CE2-CD2 3.65Å; F573-Y578 AromaticContact CE2-CE1 3.95Å; F573-Y578 HydrophobicContact CE2-CE1 3.95Å; F573-Y578 AromaticContact CE2-CE2 3.79Å; F573-Y578 HydrophobicContact CE2-CE2 3.79Å; F573-Y578 AromaticContact CE2-CG 3.68Å; F573-Y578 HydrophobicContact CE2-CG 3.68Å; F573-Y578 AromaticContact CE2-CZ 3.89Å; F573-Y578 HydrophobicContact CZ-CD1 4.42Å; F573-Y578 AromaticContact CZ-CD2 4Å; F573-Y578 HydrophobicContact CZ-CD2 4Å; F573-Y578 AromaticContact CZ-CG 3.92Å; F573-Y578 HydrophobicContact CZ-CG 3.92Å; F573-R590 PolarHBondContact O-NE 2.85Å; F573-R590 PolarHBondContact O-NH2 2.89Å; F573-V594 HydrophobicContact CD1-CB 4.36Å; F573-V594 HydrophobicContact CD1-CG1 4.44Å; F573-V594 HydrophobicContact CD1-CG2 3.66Å; F573-V594 HydrophobicContact CE1-CG2 4.13Å; F573-V597 HydrophobicContact CE1-CB 4.47Å; F573-V597 HydrophobicContact CE1-CG2 4.4Å; F573-V597 HydrophobicContact CE2-CG1 4.01Å; F573-V597 HydrophobicContact CZ-CB 3.93Å; F573-V597 HydrophobicContact CZ-CG1 3.69Å; F573-V597 HydrophobicContact CZ-CG2 3.92Å
574T75.3Confident68Low25 Ų2554.2 Ų54.215%0.15330%0.302CS..  trans-97.3104.3174.3-60.20000109.4D572 E576 E577 Y578D572-T574 PolarHBondContact O-N 3.15Å; T574-E576 HydrophobicContact CG2-CB 4.44Å; T574-E576 WeakPolarHBondContact CG2-OE2 3.37Å; T574-E576 PolarHBondContact O-N 2.99Å; T574-E576 VanDerWaalsContact O-N 3.11Å; T574-E577 HydrophobicContact CG2-CG 4.15Å; T574-E577 WeakPolarHBondContact O-CB 3.42Å; T574-E577 PolarHBondContact O-N 3.39Å; T574-Y578 WeakPolarHBondContact O-CD2 3.32Å
575P70.2Confident70Confident0 Ų054 Ų540%030%0.299CS..G310 helixtrans-61.3-27.3-169.8-20.329.5000114.8F573 E577 Y578 L579 R590 I593 V594F573-P575 HydrophobicContact CD1-CG 4.05Å; F573-P575 HydrophobicContact CE1-CB 3.95Å; F573-P575 HydrophobicContact CE1-CG 3.88Å; F573-P575 WeakPolarHBondContact O-CD 3.41Å; P575-E577 PolarHBondContact O-N 3.5Å; P575-Y578 PolarHBondContact O-N 2.83Å; P575-Y578 VanDerWaalsContact O-N 3.11Å; P575-L579 PolarHBondContact O-N 3.4Å; P575-R590 HydrophobicContact CG-CG 3.82Å; P575-I593 HydrophobicContact CB-CB 4.14Å; P575-I593 HydrophobicContact CB-CD1 4.36Å; P575-I593 HydrophobicContact CB-CG2 3.57Å; P575-I593 HydrophobicContact CG-CB 4.27Å; P575-I593 HydrophobicContact CG-CG2 4.2Å; P575-V594 HydrophobicContact CG-CG2 4.29Å
576E71.5Confident71.8Confident84 Ų8455.9 Ų55.939%0.39330%0.295SS..G310 helixtrans-62.6-21.3178.4-63.676.5-16800112.8L290 T574L290-E576 VanDerWaalsContact CD2-O 3.27Å; L290-E576 WeakPolarHBondContact CD2-O 3.41Å; T574-E576 HydrophobicContact CG2-CB 4.44Å; T574-E576 WeakPolarHBondContact CG2-OE2 3.37Å; T574-E576 PolarHBondContact O-N 2.99Å; T574-E576 VanDerWaalsContact O-N 3.11Å
577E81.4Confident73Confident27 Ų2755.3 Ų55.313%0.12629%0.29CS..G310 helixtrans-85.8-13178.1-62.2177.2178.200113.1L360 Q378 T574 P575L360-E577 WeakPolarHBondContact CD1-O 3.49Å; Q378-E577 PolarHBondContact NE2-O 3.06Å; T574-E577 HydrophobicContact CG2-CG 4.15Å; T574-E577 WeakPolarHBondContact O-CB 3.42Å; T574-E577 PolarHBondContact O-N 3.39Å; P575-E577 PolarHBondContact O-N 3.5Å
578Y86.3Confident73.8Confident6 Ų661.2 Ų61.22%0.02430%0.298CS..THydrogen-bonded Turntrans-115.8-19.1-174.3-71.5-100.9000113L360 A375 Q378 L379 Q382 F573 T574 P575L360-Y578 VanDerWaalsContact CD2-C 3.45Å; A375-Y578 WeakPolarHBondContact CB-O 3.09Å; Q378-Y578 HydrophobicContact CB-CD1 3.99Å; Q378-Y578 HydrophobicContact CB-CE1 4.25Å; Q378-Y578 HydrophobicContact CG-CD1 3.67Å; Q378-Y578 HydrophobicContact CG-CE1 3.69Å; L379-Y578 HydrophobicContact CB-CD1 4.4Å; L379-Y578 HydrophobicContact CB-CE1 3.95Å; L379-Y578 HydrophobicContact CD1-CE1 4.34Å; Q382-Y578 PolarHBondContact OE1-OH 3.45Å; F573-Y578 HydrophobicContact CD2-CD2 4.21Å; F573-Y578 AromaticContact CD2-CE2 3.95Å; F573-Y578 HydrophobicContact CD2-CE2 3.95Å; F573-Y578 AromaticContact CE2-CD1 3.87Å; F573-Y578 HydrophobicContact CE2-CD1 3.87Å; F573-Y578 AromaticContact CE2-CD2 3.65Å; F573-Y578 HydrophobicContact CE2-CD2 3.65Å; F573-Y578 AromaticContact CE2-CE1 3.95Å; F573-Y578 HydrophobicContact CE2-CE1 3.95Å; F573-Y578 AromaticContact CE2-CE2 3.79Å; F573-Y578 HydrophobicContact CE2-CE2 3.79Å; F573-Y578 AromaticContact CE2-CG 3.68Å; F573-Y578 HydrophobicContact CE2-CG 3.68Å; F573-Y578 AromaticContact CE2-CZ 3.89Å; F573-Y578 HydrophobicContact CZ-CD1 4.42Å; F573-Y578 AromaticContact CZ-CD2 4Å; F573-Y578 HydrophobicContact CZ-CD2 4Å; F573-Y578 AromaticContact CZ-CG 3.92Å; F573-Y578 HydrophobicContact CZ-CG 3.92Å; T574-Y578 WeakPolarHBondContact O-CD2 3.32Å; P575-Y578 PolarHBondContact O-N 2.83Å; P575-Y578 VanDerWaalsContact O-N 3.11Å
579L89Confident75.1Confident2 Ų260.3 Ų60.31%0.0129%0.293CS..SBendtrans-125143.3-175.7-74.8166.6000112A371 F372 A375 P575 L581 I593 V597A371-L579 HydrophobicContact CB-CD2 4.09Å; A371-L579 WeakPolarHBondContact O-CD2 3.35Å; F372-L579 HydrophobicContact CD1-CD1 4.35Å; F372-L579 HydrophobicContact CD1-CD2 4.24Å; F372-L579 HydrophobicContact CE1-CD1 3.71Å; F372-L579 HydrophobicContact CE1-CD2 4.3Å; F372-L579 HydrophobicContact CG-CD2 4.44Å; F372-L579 HydrophobicContact CZ-CD1 4.02Å; A375-L579 HydrophobicContact CB-CD2 3.85Å; A375-L579 HydrophobicContact CB-CG 4.07Å; P575-L579 PolarHBondContact O-N 3.4Å; L579-L581 PolarHBondContact O-N 3.46Å; L579-I593 HydrophobicContact CD1-CG2 3.27Å; L579-V597 HydrophobicContact CD1-CG2 4.01Å
580P88.8Confident76.1Confident1 Ų165.2 Ų65.21%0.00631%0.309CS..  trans-52.5140.4166.1-2433000111.7I359 E362 A371 K582 Y583 A584I359-P580 HydrophobicContact CG2-CG 4.09Å; E362-P580 HydrophobicContact CG-CB 3.83Å; A371-P580 HydrophobicContact CB-CG 4.25Å; P580-K582 HydrophobicContact CB-CG 4.21Å; P580-K582 PolarHBondContact O-N 3.48Å; P580-K582 VanDerWaalsContact O-N 3.15Å; P580-Y583 HydrophobicContact CB-CD2 3.93Å; P580-Y583 HydrophobicContact CB-CE2 4.4Å; P580-Y583 HydrophobicContact CG-CD2 4Å; P580-Y583 HydrophobicContact CG-CE2 4.33Å; P580-Y583 PolarHBondContact O-N 2.86Å; P580-A584 PolarHBondContact O-N 3.41Å
581L84.7Confident77.4Confident45 Ų4566.6 Ų66.624%0.23630%0.304CS..Hα-helixtrans-61.2-31.3-172.7-172.464.5000112E362 L579 Y583 A584 K585E362-L581 PolarHBondContact OE1-N 3.23Å; E362-L581 VanDerWaalsContact OE1-N 3.08Å; L579-L581 PolarHBondContact O-N 3.46Å; L581-Y583 VanDerWaalsContact C-N 3.28Å; L581-Y583 PolarHBondContact O-N 3.12Å; L581-A584 PolarHBondContact O-N 2.9Å; L581-K585 HydrophobicContact CD1-CD 4.47Å; L581-K585 HydrophobicContact CD1-CG 4.37Å; L581-K585 HydrophobicContact CG-CD 4.1Å; L581-K585 HydrophobicContact CG-CG 4.42Å; L581-K585 WeakPolarHBondContact O-CB 3.41Å; L581-K585 WeakPolarHBondContact O-CG 3.47Å; L581-K585 PolarHBondContact O-N 3.13Å; L581-K585 VanDerWaalsContact O-N 3.08Å
582K86.3Confident78.5Confident68 Ų6867.5 Ų67.530%0.29631%0.312SS..Hα-helixtrans-58.4-35.2174.667.1-177.9177.6179.10113.6E362 D365 P580E362-K582 HydrophobicContact CG-CD 4.47Å; E362-K582 PolarHBondContact OE1-N 3.39Å; D365-K582 IonicContact OD1-NZ 3.16Å; D365-K582 PolarHBondContact OD1-NZ 2.98Å; P580-K582 HydrophobicContact CB-CG 4.21Å; P580-K582 PolarHBondContact O-N 3.48Å; P580-K582 VanDerWaalsContact O-N 3.15Å
583Y85.9Confident79.5Confident28 Ų2861.7 Ų61.711%0.1128%0.281CS..Hα-helixtrans-86.4-38.2179-62-57.9000112.3S366 E368 A371 P580 L581 K585 K586S366-Y583 PolarHBondContact O-OH 2.91Å; E368-Y583 HydrophobicContact CB-CD1 4.07Å; E368-Y583 HydrophobicContact CB-CE1 3.7Å; E368-Y583 HydrophobicContact CG-CD1 3.92Å; E368-Y583 HydrophobicContact CG-CE1 4.09Å; A371-Y583 HydrophobicContact CB-CD2 3.56Å; A371-Y583 HydrophobicContact CB-CE2 3.65Å; A371-Y583 HydrophobicContact CB-CG 4.5Å; P580-Y583 HydrophobicContact CB-CD2 3.93Å; P580-Y583 HydrophobicContact CB-CE2 4.4Å; P580-Y583 HydrophobicContact CG-CD2 4Å; P580-Y583 HydrophobicContact CG-CE2 4.33Å; P580-Y583 PolarHBondContact O-N 2.86Å; L581-Y583 VanDerWaalsContact C-N 3.28Å; L581-Y583 PolarHBondContact O-N 3.12Å; Y583-K585 VanDerWaalsContact C-N 3.25Å; Y583-K585 PolarHBondContact O-N 3.41Å; Y583-K586 PolarHBondContact O-N 3.31Å; Y583-K586 VanDerWaalsContact O-N 3.15Å
584A79.1Confident80.2Confident10 Ų1062 Ų628%0.08329%0.285CS..Hα-helixtrans-57.4-39.6174.700000111.9P580 L581P580-A584 PolarHBondContact O-N 3.41Å; L581-A584 PolarHBondContact O-N 2.9Å
585K80Confident80.8Confident156 Ų15664.4 Ų64.468%0.67829%0.294SS*.THydrogen-bonded Turntrans-72.9-25178.2-74176.6175.9173.20115L581 Y583 I587L581-K585 HydrophobicContact CD1-CD 4.47Å; L581-K585 HydrophobicContact CD1-CG 4.37Å; L581-K585 HydrophobicContact CG-CD 4.1Å; L581-K585 HydrophobicContact CG-CG 4.42Å; L581-K585 WeakPolarHBondContact O-CB 3.41Å; L581-K585 WeakPolarHBondContact O-CG 3.47Å; L581-K585 PolarHBondContact O-N 3.13Å; L581-K585 VanDerWaalsContact O-N 3.08Å; Y583-K585 VanDerWaalsContact C-N 3.25Å; Y583-K585 PolarHBondContact O-N 3.41Å; K585-I587 VanDerWaalsContact C-N 3.33Å
586K78.2Confident81.6Confident136 Ų13668.4 Ų68.459%0.59131%0.309SS*.THydrogen-bonded Turntrans-72.7-30-177.9-173.8-178.4174-171.10111.5E368 Y583E368-K586 IonicContact OE1-NZ 3.82Å; E368-K586 IonicContact OE2-NZ 3.52Å; E368-K586 PolarHBondContact OE2-NZ 2.87Å; Y583-K586 PolarHBondContact O-N 3.31Å; Y583-K586 VanDerWaalsContact O-N 3.15Å
587I71.2Confident82.4Confident30 Ų3064.4 Ų64.415%0.15429%0.29CS..SBendtrans-95129.4-173.6-62.3172.8000110.1F372 K585 S592 I593F372-I587 HydrophobicContact CE2-CD1 4.24Å; F372-I587 HydrophobicContact CZ-CD1 3.59Å; K585-I587 VanDerWaalsContact C-N 3.33Å; I587-S592 WeakPolarHBondContact CG2-OG 3.4Å; I587-I593 HydrophobicContact CB-CD1 4.07Å; I587-I593 HydrophobicContact CB-CG1 3.62Å; I587-I593 HydrophobicContact CD1-CG1 4Å; I587-I593 HydrophobicContact CG1-CG1 4.41Å; I587-I593 HydrophobicContact CG2-CD1 4.21Å; I587-I593 HydrophobicContact CG2-CG1 3.37Å
588R67.5Low82.8Confident247 Ų24763.5 Ų63.593%0.93229%0.287SS*.SBendtrans-74.7-28.9-166.2-71.8-175.8179.7162.70.4115.1
589T77.9Confident82.9Confident76 Ų7666.6 Ų66.647%0.46630%0.301SS..  trans-131134-174.658.80000111.1Q591 S592 I593T589-Q591 PolarHBondContact O-N 2.83Å; T589-Q591 VanDerWaalsContact O-N 3.15Å; T589-S592 PolarHBondContact O-N 2.9Å; T589-S592 PolarHBondContact O-OG 2.9Å; T589-S592 PolarHBondContact OG1-OG 3.42Å; T589-S592 VanDerWaalsContact OG1-OG 3.05Å; T589-I593 PolarHBondContact O-N 2.98Å
590R77.6Confident83Confident125 Ų12567.1 Ų67.147%0.47231%0.306SS..Hα-helixtrans-48.7-42.4176.2-174.4176.5173.9168.4-7.6111.8D572 F573 P575 S592 I593 V594D572-R590 IonicContact OD1-NH2 3.45Å; D572-R590 PolarHBondContact OD1-NH2 3.4Å; F573-R590 PolarHBondContact O-NE 2.85Å; F573-R590 PolarHBondContact O-NH2 2.89Å; P575-R590 HydrophobicContact CG-CG 3.82Å; R590-S592 VanDerWaalsContact C-N 3.34Å; R590-S592 PolarHBondContact O-N 3.42Å; R590-I593 PolarHBondContact O-N 3.37Å; R590-I593 VanDerWaalsContact O-N 3.17Å; R590-V594 HydrophobicContact CG-CG2 4.39Å; R590-V594 VanDerWaalsContact O-CG2 3.23Å; R590-V594 WeakPolarHBondContact O-CG2 3.36Å; R590-V594 PolarHBondContact O-N 3.49Å
591Q81.7Confident83.1Confident162 Ų16268.3 Ų68.376%0.75731%0.311SS*.Hα-helixtrans-58.2-39.9178.3-71.6178-15.600113.5T589 V594 Q595T589-Q591 PolarHBondContact O-N 2.83Å; T589-Q591 VanDerWaalsContact O-N 3.15Å; Q591-V594 PolarHBondContact O-N 3.28Å; Q591-Q595 WeakPolarHBondContact O-CB 2.98Å; Q591-Q595 PolarHBondContact O-N 3.38Å
592S83Confident83.3Confident46 Ų4670.2 Ų70.232%0.32232%0.319SS..Hα-helixtrans-71.8-30.8178.861.60000112.9I587 T589 R590 R596I587-S592 WeakPolarHBondContact CG2-OG 3.4Å; T589-S592 PolarHBondContact O-N 2.9Å; T589-S592 PolarHBondContact O-OG 2.9Å; T589-S592 PolarHBondContact OG1-OG 3.42Å; T589-S592 VanDerWaalsContact OG1-OG 3.05Å; R590-S592 VanDerWaalsContact C-N 3.34Å; R590-S592 PolarHBondContact O-N 3.42Å; S592-R596 WeakPolarHBondContact O-CB 2.72Å; S592-R596 PolarHBondContact O-N 2.79Å; S592-R596 VanDerWaalsContact O-N 3.14Å
593I83.8Confident83.5Confident5 Ų568.4 Ų68.43%0.02631%0.313CS..Hα-helixtrans-67.4-49.8172.9-53.8174.9000109.7F372 P575 L579 I587 T589 R590 Q595 R596 V597F372-I593 HydrophobicContact CE1-CG2 4.42Å; P575-I593 HydrophobicContact CB-CB 4.14Å; P575-I593 HydrophobicContact CB-CD1 4.36Å; P575-I593 HydrophobicContact CB-CG2 3.57Å; P575-I593 HydrophobicContact CG-CB 4.27Å; P575-I593 HydrophobicContact CG-CG2 4.2Å; L579-I593 HydrophobicContact CD1-CG2 3.27Å; I587-I593 HydrophobicContact CB-CD1 4.07Å; I587-I593 HydrophobicContact CB-CG1 3.62Å; I587-I593 HydrophobicContact CD1-CG1 4Å; I587-I593 HydrophobicContact CG1-CG1 4.41Å; I587-I593 HydrophobicContact CG2-CD1 4.21Å; I587-I593 HydrophobicContact CG2-CG1 3.37Å; T589-I593 PolarHBondContact O-N 2.98Å; R590-I593 PolarHBondContact O-N 3.37Å; R590-I593 VanDerWaalsContact O-N 3.17Å; I593-Q595 VanDerWaalsContact C-N 3.32Å; I593-Q595 PolarHBondContact O-N 2.85Å; I593-R596 PolarHBondContact O-N 2.67Å; I593-V597 WeakPolarHBondContact O-CG2 3.36Å; I593-V597 PolarHBondContact O-N 3.26Å
594V85.6Confident83.7Confident24 Ų2467.1 Ų67.115%0.14531%0.308CS..Hα-helixtrans-52.9-52.3176174.50000109.9F573 P575 R590 Q591 R596 V597 L598F573-V594 HydrophobicContact CD1-CB 4.36Å; F573-V594 HydrophobicContact CD1-CG1 4.44Å; F573-V594 HydrophobicContact CD1-CG2 3.66Å; F573-V594 HydrophobicContact CE1-CG2 4.13Å; P575-V594 HydrophobicContact CG-CG2 4.29Å; R590-V594 HydrophobicContact CG-CG2 4.39Å; R590-V594 VanDerWaalsContact O-CG2 3.23Å; R590-V594 WeakPolarHBondContact O-CG2 3.36Å; R590-V594 PolarHBondContact O-N 3.49Å; Q591-V594 PolarHBondContact O-N 3.28Å; V594-R596 VanDerWaalsContact C-N 3.3Å; V594-R596 PolarHBondContact O-N 3.29Å; V594-V597 PolarHBondContact O-N 2.81Å; V594-L598 HydrophobicContact CG1-CD1 3.72Å; V594-L598 HydrophobicContact CG1-CG 4.25Å; V594-L598 VanDerWaalsContact O-CG 3.29Å; V594-L598 WeakPolarHBondContact O-CG 3.25Å; V594-L598 PolarHBondContact O-N 2.84Å
595Q86.8Confident84.2Confident75 Ų7570 Ų7035%0.3532%0.322SS..Hα-helixtrans-55.6-45.2-179.5-179.759.22900112Q591 I593 L598 E599Q591-Q595 WeakPolarHBondContact O-CB 2.98Å; Q591-Q595 PolarHBondContact O-N 3.38Å; I593-Q595 VanDerWaalsContact C-N 3.32Å; I593-Q595 PolarHBondContact O-N 2.85Å; Q595-L598 PolarHBondContact O-N 2.83Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.38Å; Q595-E599 PolarHBondContact NE2-OE1 2.89Å; Q595-E599 WeakPolarHBondContact O-CG 3.27Å; Q595-E599 PolarHBondContact O-N 3.06Å
596R87.3Confident84.5Confident83 Ų8369 Ų6931%0.31332%0.319SS..Hα-helixtrans-71.2-33.1-178-162.5170179.3-168-2.4113.1E368 F372 S592 I593 V594 A600E368-R596 IonicContact OE1-CZ 3.8Å; E368-R596 IonicContact OE1-NH1 3.86Å; E368-R596 PolarHBondContact OE1-NH1 3.38Å; E368-R596 IonicContact OE1-NH2 3.88Å; E368-R596 PolarHBondContact OE1-NH2 3.1Å; F372-R596 HydrophobicContact CD1-CB 4.09Å; F372-R596 HydrophobicContact CD1-CG 3.86Å; F372-R596 HydrophobicContact CD2-CG 4.42Å; F372-R596 HydrophobicContact CE1-CB 3.66Å; F372-R596 HydrophobicContact CE1-CG 3.73Å; F372-R596 HydrophobicContact CE2-CG 4.33Å; F372-R596 HydrophobicContact CG-CG 4.23Å; F372-R596 HydrophobicContact CZ-CB 4.18Å; F372-R596 HydrophobicContact CZ-CG 4.02Å; S592-R596 WeakPolarHBondContact O-CB 2.72Å; S592-R596 PolarHBondContact O-N 2.79Å; S592-R596 VanDerWaalsContact O-N 3.14Å; I593-R596 PolarHBondContact O-N 2.67Å; V594-R596 VanDerWaalsContact C-N 3.3Å; V594-R596 PolarHBondContact O-N 3.29Å; R596-A600 PolarHBondContact O-N 3.2Å; R596-A600 VanDerWaalsContact O-N 3.09Å
597V88.9Confident85.1Confident0 Ų063.3 Ų63.30%030%0.295CS..Hα-helixtrans-66.7-42.4170.8175.50000110.5F372 A375 L379 F573 L579 I593 V594 E599 A600 H601F372-V597 HydrophobicContact CD1-CG2 3.76Å; F372-V597 HydrophobicContact CE1-CG2 3.84Å; A375-V597 HydrophobicContact CB-CG1 4.11Å; A375-V597 HydrophobicContact CB-CG2 4Å; L379-V597 HydrophobicContact CD2-CG1 4.14Å; F573-V597 HydrophobicContact CE1-CB 4.47Å; F573-V597 HydrophobicContact CE1-CG2 4.4Å; F573-V597 HydrophobicContact CE2-CG1 4.01Å; F573-V597 HydrophobicContact CZ-CB 3.93Å; F573-V597 HydrophobicContact CZ-CG1 3.69Å; F573-V597 HydrophobicContact CZ-CG2 3.92Å; L579-V597 HydrophobicContact CD1-CG2 4.01Å; I593-V597 WeakPolarHBondContact O-CG2 3.36Å; I593-V597 PolarHBondContact O-N 3.26Å; V594-V597 PolarHBondContact O-N 2.81Å; V597-E599 VanDerWaalsContact C-N 3.34Å; V597-E599 PolarHBondContact O-N 3.2Å; V597-A600 PolarHBondContact O-N 2.68Å; V597-H601 WeakPolarHBondContact O-CB 3.26Å; V597-H601 PolarHBondContact O-N 3.26Å
598L89.1Confident86.1Confident9 Ų964.2 Ų64.25%0.04730%0.304CS..Hα-helixtrans-67.9-33.4178.3-64.6175.1000112.7L379 V566 V568 P569 V594 Q595 H601 Q602L379-L598 HydrophobicContact CD2-CD2 3.87Å; V566-L598 HydrophobicContact CG1-CB 3.61Å; V566-L598 HydrophobicContact CG1-CD1 3.63Å; V566-L598 HydrophobicContact CG1-CG 4.16Å; V568-L598 HydrophobicContact CG2-CD1 4.49Å; P569-L598 VanDerWaalsContact CD-CD2 3.43Å; P569-L598 HydrophobicContact CG-CD2 3.64Å; V594-L598 HydrophobicContact CG1-CD1 3.72Å; V594-L598 HydrophobicContact CG1-CG 4.25Å; V594-L598 VanDerWaalsContact O-CG 3.29Å; V594-L598 WeakPolarHBondContact O-CG 3.25Å; V594-L598 PolarHBondContact O-N 2.84Å; Q595-L598 PolarHBondContact O-N 2.83Å; L598-H601 WeakPolarHBondContact O-CB 3.19Å; L598-H601 PolarHBondContact O-N 2.93Å; L598-Q602 PolarHBondContact O-N 2.87Å
599E89.2Confident87.1Confident71 Ų7152.9 Ų52.933%0.33226%0.262SS..Hα-helixtrans-63.3-48.9170.5-75.8166.3-170.600111.1A556 Q595 V597 H601 Q602A556-E599 WeakPolarHBondContact CB-O 3.39Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.38Å; Q595-E599 PolarHBondContact NE2-OE1 2.89Å; Q595-E599 WeakPolarHBondContact O-CG 3.27Å; Q595-E599 PolarHBondContact O-N 3.06Å; V597-E599 VanDerWaalsContact C-N 3.34Å; V597-E599 PolarHBondContact O-N 3.2Å; E599-H601 PolarHBondContact O-N 3.11Å; E599-Q602 WeakPolarHBondContact O-CB 3.31Å; E599-Q602 PolarHBondContact O-N 3.48Å
600A90.1Very high87.7Confident13 Ų1351.8 Ų51.811%0.10725%0.253CS..Hα-helixtrans-62.2-33.2175.500000112.4F372 A376 R596 V597 Q602 N603F372-A600 HydrophobicContact CB-CB 4.33Å; A376-A600 HydrophobicContact CB-CB 3.79Å; R596-A600 PolarHBondContact O-N 3.2Å; R596-A600 VanDerWaalsContact O-N 3.09Å; V597-A600 PolarHBondContact O-N 2.68Å; A600-Q602 VanDerWaalsContact C-N 3.25Å; A600-Q602 PolarHBondContact O-N 3.33Å; A600-N603 WeakPolarHBondContact O-CB 3.39Å; A600-N603 PolarHBondContact O-N 2.86Å; A600-N603 VanDerWaalsContact O-N 3.13Å
601H90.9Very high88.4Confident26 Ų2649 Ų4912%0.1225%0.247CC..Hα-helixtrans-61.1-30.5176.3179.9-100.5000113.3A376 L379 Q380 V597 L598 E599 N603 V604 N605A376-H601 HydrophobicContact CB-CB 4.36Å; L379-H601 HydrophobicContact CD2-CB 4.27Å; Q380-H601 PolarHBondContact OE1-NE2 3.05Å; V597-H601 WeakPolarHBondContact O-CB 3.26Å; V597-H601 PolarHBondContact O-N 3.26Å; L598-H601 WeakPolarHBondContact O-CB 3.19Å; L598-H601 PolarHBondContact O-N 2.93Å; E599-H601 PolarHBondContact O-N 3.11Å; H601-N603 PolarHBondContact O-N 3.45Å; H601-N603 VanDerWaalsContact O-N 3.13Å; H601-V604 WeakPolarHBondContact O-CG2 3.5Å; H601-V604 PolarHBondContact O-N 3.42Å; H601-N605 WeakPolarHBondContact O-CB 3.43Å; H601-N605 PolarHBondContact O-N 3.37Å
602Q90.2Very high89Confident84 Ų8441.2 Ų41.239%0.39321%0.211SC..THydrogen-bonded Turntrans-58.9-27.4175.9-63.31801.200112.7A556 L598 E599 A600 V604 N605A556-Q602 HydrophobicContact CB-CB 3.98Å; A556-Q602 HydrophobicContact CB-CG 4.5Å; L598-Q602 PolarHBondContact O-N 2.87Å; E599-Q602 WeakPolarHBondContact O-CB 3.31Å; E599-Q602 PolarHBondContact O-N 3.48Å; A600-Q602 VanDerWaalsContact C-N 3.25Å; A600-Q602 PolarHBondContact O-N 3.33Å; Q602-V604 VanDerWaalsContact C-N 3.31Å; Q602-V604 PolarHBondContact O-N 2.74Å; Q602-N605 PolarHBondContact O-OD1 3.44Å
603N89.6Confident89.6Confident31 Ų3139.1 Ų39.117%0.16620%0.196CC..THydrogen-bonded Turntrans-77.6-15.5178.2-59.8-28000113.3M552 H554 A600 H601 H606M552-N603 PolarHBondContact O-ND2 3.29Å; H554-N603 PolarHBondContact O-ND2 3.05Å; A600-N603 WeakPolarHBondContact O-CB 3.39Å; A600-N603 PolarHBondContact O-N 2.86Å; A600-N603 VanDerWaalsContact O-N 3.13Å; H601-N603 PolarHBondContact O-N 3.45Å; H601-N603 VanDerWaalsContact O-N 3.13Å; N603-H606 PolarHBondContact O-CE1 3.02Å
604V90.1Very high90.1Very high1 Ų139.4 Ų39.41%0.00620%0.198CC..THydrogen-bonded Turntrans-126.9-4.4-172.1-61.50000114.1A376 L377 Q380 M552 H601 Q602 H606 L607A376-V604 HydrophobicContact CB-CG2 3.91Å; L377-V604 HydrophobicContact CD2-CB 4.13Å; L377-V604 HydrophobicContact CD2-CG1 3.81Å; L377-V604 HydrophobicContact CG-CG1 4.27Å; Q380-V604 HydrophobicContact CB-CG2 4.32Å; M552-V604 HydrophobicContact CB-CG1 4.47Å; M552-V604 HydrophobicContact CG-CG1 3.98Å; M552-V604 HydrophobicContact SD-CG1 3.84Å; H601-V604 WeakPolarHBondContact O-CG2 3.5Å; H601-V604 PolarHBondContact O-N 3.42Å; Q602-V604 VanDerWaalsContact C-N 3.31Å; Q602-V604 PolarHBondContact O-N 2.74Å; V604-H606 PolarHBondContact O-N 3.27Å; V604-H606 VanDerWaalsContact O-N 3.08Å; V604-L607 HydrophobicContact CB-CD1 4Å; V604-L607 HydrophobicContact CG1-CD1 4.26Å; V604-L607 WeakPolarHBondContact O-CB 3.39Å; V604-L607 WeakPolarHBondContact O-CG 3.48Å; V604-L607 PolarHBondContact O-N 2.92Å
605N89.4Confident90.5Very high71 Ų7139.4 Ų39.438%0.3820%0.196SC..THydrogen-bonded Turntrans-58.9-23-176.564.37.7000114.9Q380 R384 H601 Q602 L607Q380-N605 PolarHBondContact NE2-O 2.89Å; R384-N605 PolarHBondContact NH2-O 2.78Å; H601-N605 WeakPolarHBondContact O-CB 3.43Å; H601-N605 PolarHBondContact O-N 3.37Å; Q602-N605 PolarHBondContact O-OD1 3.44Å; N605-L607 VanDerWaalsContact C-N 3.32Å
606H87.5Confident91Very high134 Ų13436 Ų3662%0.6218%0.18SC*.THydrogen-bonded Turntrans-76.5-17177.964.9-85.6000113.4N603 V604N603-H606 PolarHBondContact O-CE1 3.02Å; V604-H606 PolarHBondContact O-N 3.27Å; V604-H606 VanDerWaalsContact O-N 3.08Å
607L90.6Very high91.4Very high17 Ų1732.1 Ų32.19%0.08917%0.165CC..SBendtrans-72.6144.4-177-60.8177.9000111.7L377 Q380 R384 V604 N605 D611 A612 Q615L377-L607 HydrophobicContact CD2-CD1 3.91Å; Q380-L607 PolarHBondContact NE2-O 3.17Å; R384-L607 PolarHBondContact NE-O 3.14Å; V604-L607 HydrophobicContact CB-CD1 4Å; V604-L607 HydrophobicContact CG1-CD1 4.26Å; V604-L607 WeakPolarHBondContact O-CB 3.39Å; V604-L607 WeakPolarHBondContact O-CG 3.48Å; V604-L607 PolarHBondContact O-N 2.92Å; N605-L607 VanDerWaalsContact C-N 3.32Å; L607-D611 HydrophobicContact CB-CB 4.23Å; L607-D611 HydrophobicContact CD2-CB 4.25Å; L607-A612 HydrophobicContact CB-CB 4.32Å; L607-Q615 HydrophobicContact CD1-CB 4.37Å; L607-Q615 HydrophobicContact CD1-CG 3.95Å
608S90.8Very high91.7Very high49 Ų4937.2 Ų37.234%0.34319%0.185SC..  trans-67.3167.8165.578.30000110.8N610 D611 A612S608-N610 VanDerWaalsContact C-N 3.32Å; S608-N610 PolarHBondContact O-N 3.29Å; S608-D611 WeakPolarHBondContact CB-OD2 3.26Å; S608-D611 PolarHBondContact O-N 2.78Å; S608-D611 WeakPolarHBondContact OG-CB 3.47Å; S608-D611 PolarHBondContact OG-N 3.45Å; S608-D611 VanDerWaalsContact OG-N 3.08Å; S608-D611 PolarHBondContact OG-OD2 3.05Å; S608-A612 WeakPolarHBondContact O-CB 3.43Å; S608-A612 PolarHBondContact O-N 2.68Å
609M89.8Confident92Very high8 Ų837 Ų374%0.03918%0.184CC..Hα-helixtrans-57.9-45.4176.1-173.9171.260.400111.8N280 V381 R384 Y385 M388 A612 K613N280-M609 WeakPolarHBondContact OD1-CE 3.11Å; N280-M609 PolarHBondContact OD1-SD 3.48Å; V381-M609 HydrophobicContact CG1-CG 4.15Å; R384-M609 HydrophobicContact CB-CB 3.77Å; R384-M609 HydrophobicContact CB-CG 4.34Å; Y385-M609 HydrophobicContact CD2-SD 4.33Å; M388-M609 HydrophobicContact CE-CE 4.01Å; M388-M609 HydrophobicContact SD-CE 3.89Å; M609-A612 PolarHBondContact O-N 3.47Å; M609-K613 WeakPolarHBondContact O-CG 3.07Å; M609-K613 PolarHBondContact O-N 2.82Å; M609-K613 VanDerWaalsContact O-N 3.1Å
610N90.6Very high92.4Very high54 Ų5433.8 Ų33.829%0.28917%0.169SC..Hα-helixtrans-72-37.5-178.3-66.4-36.1000111.8L341 S608 A612 K613 L614L341-N610 HydrophobicContact CD2-CB 3.43Å; L341-N610 VanDerWaalsContact CD2-CB 3.43Å; S608-N610 VanDerWaalsContact C-N 3.32Å; S608-N610 PolarHBondContact O-N 3.29Å; N610-A612 VanDerWaalsContact C-N 3.34Å; N610-K613 PolarHBondContact O-N 3.33Å; N610-L614 WeakPolarHBondContact O-CG 3.13Å; N610-L614 PolarHBondContact O-N 3.48Å
611D91.7Very high92.5Very high65 Ų6536.9 Ų36.935%0.34818%0.181SC..Hα-helixtrans-64.8-40.2174.5-66.5-46.3000111.4L607 S608 K613 L614 Q615L607-D611 HydrophobicContact CB-CB 4.23Å; L607-D611 HydrophobicContact CD2-CB 4.25Å; S608-D611 WeakPolarHBondContact CB-OD2 3.26Å; S608-D611 PolarHBondContact O-N 2.78Å; S608-D611 WeakPolarHBondContact OG-CB 3.47Å; S608-D611 PolarHBondContact OG-N 3.45Å; S608-D611 VanDerWaalsContact OG-N 3.08Å; S608-D611 PolarHBondContact OG-OD2 3.05Å; D611-K613 PolarHBondContact O-N 3.47Å; D611-L614 PolarHBondContact O-N 2.62Å; D611-Q615 WeakPolarHBondContact O-CB 3.39Å; D611-Q615 VanDerWaalsContact O-CG 3.23Å; D611-Q615 WeakPolarHBondContact O-CG 3.44Å; D611-Q615 PolarHBondContact O-N 2.81Å
612A94.2Very high92.6Very high0 Ų036.6 Ų36.60%018%0.183CC..Hα-helixtrans-60.7-44.117500000111.5L377 Q380 V381 L607 S608 M609 N610 L614 Q615 Y616L377-A612 HydrophobicContact CD2-CB 4.48Å; Q380-A612 HydrophobicContact CB-CB 4.25Å; Q380-A612 HydrophobicContact CG-CB 3.92Å; V381-A612 HydrophobicContact CG2-CB 3.67Å; L607-A612 HydrophobicContact CB-CB 4.32Å; S608-A612 WeakPolarHBondContact O-CB 3.43Å; S608-A612 PolarHBondContact O-N 2.68Å; M609-A612 PolarHBondContact O-N 3.47Å; N610-A612 VanDerWaalsContact C-N 3.34Å; A612-L614 PolarHBondContact O-N 3.4Å; A612-Q615 PolarHBondContact O-N 3.45Å; A612-Y616 WeakPolarHBondContact O-CB 3.3Å; A612-Y616 PolarHBondContact O-N 2.87Å
613K95.6Very high92.8Very high1 Ų132.9 Ų32.90%0.00417%0.166CC..Hα-helixtrans-59.2-46.6172.9-68.8179.6-171178.80111.4I279 N280 I348 N349 Y352 V381 M609 N610 D611 Y616 I617I279-K613 PolarHBondContact O-NZ 3.06Å; N280-K613 PolarHBondContact OD1-NZ 3.44Å; I348-K613 HydrophobicContact CG2-CB 4.05Å; N349-K613 WeakPolarHBondContact OD1-CE 3.4Å; N349-K613 PolarHBondContact OD1-NZ 2.91Å; Y352-K613 HydrophobicContact CD1-CD 4.3Å; Y352-K613 HydrophobicContact CD1-CG 4.04Å; Y352-K613 HydrophobicContact CD2-CB 4.42Å; Y352-K613 HydrophobicContact CD2-CG 4.29Å; Y352-K613 HydrophobicContact CG-CB 4.21Å; Y352-K613 HydrophobicContact CG-CD 4.49Å; Y352-K613 HydrophobicContact CG-CG 3.92Å; V381-K613 HydrophobicContact CG1-CG 4.23Å; V381-K613 HydrophobicContact CG2-CG 3.76Å; M609-K613 WeakPolarHBondContact O-CG 3.07Å; M609-K613 PolarHBondContact O-N 2.82Å; M609-K613 VanDerWaalsContact O-N 3.1Å; N610-K613 PolarHBondContact O-N 3.33Å; D611-K613 PolarHBondContact O-N 3.47Å; K613-Y616 WeakPolarHBondContact O-CB 3.17Å; K613-Y616 PolarHBondContact O-N 3.35Å; K613-I617 VanDerWaalsContact O-CG1 3.31Å; K613-I617 WeakPolarHBondContact O-CG1 3.35Å; K613-I617 PolarHBondContact O-N 3.42Å
614L94.1Very high92.7Very high11 Ų1134.4 Ų34.46%0.05818%0.177CC..Hα-helixtrans-65.8-39.2179.6-75.1172.3000113L339 L341 I348 N610 D611 A612 Y616 I617 R618L339-L614 HydrophobicContact CD2-CD2 3.69Å; L339-L614 HydrophobicContact CG-CD2 4.32Å; L341-L614 HydrophobicContact CD1-CD1 3.36Å; L341-L614 HydrophobicContact CD2-CD1 4.01Å; L341-L614 HydrophobicContact CG-CD1 3.68Å; I348-L614 HydrophobicContact CD1-CD2 4.13Å; I348-L614 HydrophobicContact CG1-CD2 4.24Å; I348-L614 HydrophobicContact CG2-CD2 4.22Å; I348-L614 HydrophobicContact CG2-CG 4.41Å; N610-L614 WeakPolarHBondContact O-CG 3.13Å; N610-L614 PolarHBondContact O-N 3.48Å; D611-L614 PolarHBondContact O-N 2.62Å; A612-L614 PolarHBondContact O-N 3.4Å; L614-Y616 VanDerWaalsContact C-N 3.33Å; L614-I617 PolarHBondContact O-N 3.13Å; L614-R618 VanDerWaalsContact O-CG 3.29Å; L614-R618 WeakPolarHBondContact O-CG 2.93Å; L614-R618 PolarHBondContact O-N 3.29Å
615Q94.6Very high92.8Very high25 Ų2535.7 Ų35.712%0.11718%0.184CC..Hα-helixtrans-67.1-36.5175-66.3-65.939.300111.3L377 L607 D611 A612 R618 A619L377-Q615 HydrophobicContact CD1-CB 4.46Å; L377-Q615 HydrophobicContact CD2-CB 3.95Å; L607-Q615 HydrophobicContact CD1-CB 4.37Å; L607-Q615 HydrophobicContact CD1-CG 3.95Å; D611-Q615 WeakPolarHBondContact O-CB 3.39Å; D611-Q615 VanDerWaalsContact O-CG 3.23Å; D611-Q615 WeakPolarHBondContact O-CG 3.44Å; D611-Q615 PolarHBondContact O-N 2.81Å; A612-Q615 PolarHBondContact O-N 3.45Å; Q615-R618 PolarHBondContact O-N 2.89Å; Q615-R618 VanDerWaalsContact OE1-CD 3.28Å; Q615-R618 VanDerWaalsContact OE1-NH1 3.11Å; Q615-A619 VanDerWaalsContact O-CB 3.29Å; Q615-A619 WeakPolarHBondContact O-CB 3.32Å; Q615-A619 PolarHBondContact O-N 3.08Å
616Y97.3Very high93.1Very high2 Ų234.2 Ų34.21%0.00817%0.173CC..Hα-helixtrans-59.6-47.7171.7-162.9-68.7000111Y352 A355 K356 I359 F374 L377 Q378 A612 K613 L614 R618 A619 W620Y352-Y616 AromaticContact CD2-CD1 3.93Å; Y352-Y616 HydrophobicContact CD2-CD1 3.93Å; Y352-Y616 HydrophobicContact CD2-CD2 4.17Å; Y352-Y616 AromaticContact CD2-CG 3.7Å; Y352-Y616 HydrophobicContact CD2-CG 3.7Å; Y352-Y616 HydrophobicContact CE2-CD1 4.16Å; Y352-Y616 AromaticContact CE2-CD2 3.64Å; Y352-Y616 HydrophobicContact CE2-CD2 3.64Å; Y352-Y616 HydrophobicContact CE2-CE2 4.13Å; Y352-Y616 AromaticContact CE2-CG 3.68Å; Y352-Y616 HydrophobicContact CE2-CG 3.68Å; A355-Y616 HydrophobicContact CB-CD1 3.92Å; A355-Y616 HydrophobicContact CB-CE1 3.79Å; K356-Y616 WeakPolarHBondContact CA-OH 3.22Å; I359-Y616 HydrophobicContact CG1-CE1 4.46Å; F374-Y616 HydrophobicContact CB-CE2 3.76Å; F374-Y616 AromaticContact CD1-CD1 3.94Å; F374-Y616 HydrophobicContact CD1-CD1 3.94Å; F374-Y616 AromaticContact CD1-CD2 3.82Å; F374-Y616 HydrophobicContact CD1-CD2 3.82Å; F374-Y616 AromaticContact CD1-CE1 3.61Å; F374-Y616 HydrophobicContact CD1-CE1 3.61Å; F374-Y616 AromaticContact CD1-CE2 3.51Å; F374-Y616 HydrophobicContact CD1-CE2 3.51Å; F374-Y616 HydrophobicContact CD1-CG 4.01Å; F374-Y616 AromaticContact CD1-CZ 3.36Å; F374-Y616 HydrophobicContact CE1-CD1 4.07Å; F374-Y616 AromaticContact CE1-CE1 3.9Å; F374-Y616 HydrophobicContact CE1-CE1 3.9Å; F374-Y616 HydrophobicContact CE1-CG 4.41Å; F374-Y616 HydrophobicContact CG-CE2 4.07Å; F374-Y616 AromaticContact CG-CZ 3.93Å; F374-Y616 WeakPolarHBondContact O-CE2 3.34Å; L377-Y616 HydrophobicContact CB-CD2 3.77Å; L377-Y616 HydrophobicContact CD1-CD2 4.4Å; Q378-Y616 HydrophobicContact CB-CE2 4.44Å; A612-Y616 WeakPolarHBondContact O-CB 3.3Å; A612-Y616 PolarHBondContact O-N 2.87Å; K613-Y616 WeakPolarHBondContact O-CB 3.17Å; K613-Y616 PolarHBondContact O-N 3.35Å; L614-Y616 VanDerWaalsContact C-N 3.33Å; Y616-R618 PolarHBondContact O-N 3.06Å; Y616-A619 PolarHBondContact O-N 3.34Å; Y616-W620 WeakPolarHBondContact O-CB 3.18Å; Y616-W620 PolarHBondContact O-N 3.07Å
617I96.3Very high93.5Very high2 Ų228.2 Ų28.21%0.0115%0.147CC..Hα-helixtrans-61.7-43.8178-64.9168.1000110.9L339 I348 I351 K613 L614 W620 Q621L339-I617 HydrophobicContact CD2-CD1 4.2Å; I348-I617 HydrophobicContact CG2-CD1 4.11Å; I351-I617 HydrophobicContact CB-CD1 3.93Å; I351-I617 HydrophobicContact CB-CG1 4.47Å; I351-I617 HydrophobicContact CG2-CD1 3.74Å; I351-I617 HydrophobicContact CG2-CG1 3.84Å; I351-I617 HydrophobicContact CG2-CG2 3.95Å; K613-I617 VanDerWaalsContact O-CG1 3.31Å; K613-I617 WeakPolarHBondContact O-CG1 3.35Å; K613-I617 PolarHBondContact O-N 3.42Å; L614-I617 PolarHBondContact O-N 3.13Å; I617-W620 WeakPolarHBondContact O-CB 3.47Å; I617-W620 PolarHBondContact O-N 2.92Å; I617-Q621 HydrophobicContact CG2-CG 4.49Å; I617-Q621 WeakPolarHBondContact O-CB 3.49Å; I617-Q621 VanDerWaalsContact O-CG 3.28Å; I617-Q621 WeakPolarHBondContact O-CG 3.2Å; I617-Q621 PolarHBondContact O-N 3.26Å
618R93.8Very high93.7Very high108 Ų10828.6 Ų28.641%0.40815%0.149SC..Hα-helixtrans-64.9-42.2178.1-72.9168.6-176.5162.43.6112.3L614 Q615 Y616 W620 Q621 A622L614-R618 VanDerWaalsContact O-CG 3.29Å; L614-R618 WeakPolarHBondContact O-CG 2.93Å; L614-R618 PolarHBondContact O-N 3.29Å; Q615-R618 PolarHBondContact O-N 2.89Å; Q615-R618 VanDerWaalsContact OE1-CD 3.28Å; Q615-R618 VanDerWaalsContact OE1-NH1 3.11Å; Y616-R618 PolarHBondContact O-N 3.06Å; R618-W620 VanDerWaalsContact C-N 3.32Å; R618-Q621 PolarHBondContact O-N 2.8Å; R618-A622 PolarHBondContact O-N 3.21Å
619A95.8Very high94.1Very high3 Ų327 Ų273%0.02514%0.137CC..Hα-helixtrans-62-42.9174.400000111M373 F374 L549 Q615 Y616 Q621 A622 L623M373-A619 HydrophobicContact CE-CB 3.66Å; F374-A619 HydrophobicContact CD1-CB 4.4Å; F374-A619 HydrophobicContact CE1-CB 3.53Å; F374-A619 HydrophobicContact CZ-CB 3.8Å; L549-A619 HydrophobicContact CD2-CB 3.65Å; Q615-A619 VanDerWaalsContact O-CB 3.29Å; Q615-A619 WeakPolarHBondContact O-CB 3.32Å; Q615-A619 PolarHBondContact O-N 3.08Å; Y616-A619 PolarHBondContact O-N 3.34Å; A619-Q621 PolarHBondContact O-N 3.08Å; A619-A622 WeakPolarHBondContact O-CB 3.38Å; A619-A622 PolarHBondContact O-N 3.01Å; A619-A622 VanDerWaalsContact O-N 3.14Å; A619-L623 PolarHBondContact O-N 3.08Å
620W96.8Very high94.4Very high5 Ų527.2 Ų27.22%0.01914%0.137CC..Hα-helixtrans-60.2-43.9174.2178.553.4000112.2M334 F336 I351 A355 I364 F374 Y616 I617 R618 A622 L623 Y626M334-W620 HydrophobicContact SD-CH2 3.75Å; M334-W620 HydrophobicContact SD-CZ2 4.33Å; F336-W620 HydrophobicContact CE2-CE3 4.44Å; F336-W620 HydrophobicContact CE2-CH2 4.45Å; F336-W620 AromaticContact CE2-CZ3 3.67Å; F336-W620 HydrophobicContact CE2-CZ3 3.67Å; F336-W620 HydrophobicContact CZ-CH2 4.26Å; F336-W620 AromaticContact CZ-CZ3 3.85Å; F336-W620 HydrophobicContact CZ-CZ3 3.85Å; I351-W620 HydrophobicContact CG2-CZ3 3.99Å; A355-W620 HydrophobicContact CB-CB 4.04Å; A355-W620 HydrophobicContact CB-CD2 3.41Å; A355-W620 VanDerWaalsContact CB-CD2 3.41Å; A355-W620 HydrophobicContact CB-CE3 3.44Å; A355-W620 VanDerWaalsContact CB-CE3 3.44Å; A355-W620 HydrophobicContact CB-CG 3.68Å; A355-W620 HydrophobicContact CB-CZ3 4.01Å; I364-W620 HydrophobicContact CD1-CZ2 4.48Å; I364-W620 VanDerWaalsContact CD1-NE1 3.3Å; F374-W620 HydrophobicContact CE1-CB 4.32Å; F374-W620 HydrophobicContact CZ-CB 4.48Å; Y616-W620 WeakPolarHBondContact O-CB 3.18Å; Y616-W620 PolarHBondContact O-N 3.07Å; I617-W620 WeakPolarHBondContact O-CB 3.47Å; I617-W620 PolarHBondContact O-N 2.92Å; R618-W620 VanDerWaalsContact C-N 3.32Å; W620-A622 PolarHBondContact O-N 3.02Å; W620-L623 WeakPolarHBondContact O-CB 3.21Å; W620-L623 PolarHBondContact O-N 3.4Å; W620-Y626 AromaticContact CD2-CD2 3.74Å; W620-Y626 HydrophobicContact CD2-CD2 3.74Å; W620-Y626 AromaticContact CD2-CE2 3.69Å; W620-Y626 HydrophobicContact CD2-CE2 3.69Å; W620-Y626 AromaticContact CE2-CD2 3.72Å; W620-Y626 AromaticContact CE2-CE2 3.85Å; W620-Y626 HydrophobicContact CE3-CD2 4.12Å; W620-Y626 AromaticContact CE3-CE2 3.57Å; W620-Y626 HydrophobicContact CE3-CE2 3.57Å; W620-Y626 HydrophobicContact CG-CD2 4.14Å; W620-Y626 HydrophobicContact CG-CE2 4.46Å; W620-Y626 HydrophobicContact CH2-CD2 4.45Å; W620-Y626 AromaticContact CH2-CE2 3.82Å; W620-Y626 HydrophobicContact CH2-CE2 3.82Å; W620-Y626 HydrophobicContact CZ2-CD2 4.08Å; W620-Y626 AromaticContact CZ2-CE2 3.91Å; W620-Y626 HydrophobicContact CZ2-CE2 3.91Å; W620-Y626 HydrophobicContact CZ3-CD2 4.49Å; W620-Y626 AromaticContact CZ3-CE2 3.67Å; W620-Y626 HydrophobicContact CZ3-CE2 3.67Å; W620-Y626 WeakPolarHBondContact O-CB 3.35Å; W620-Y626 WeakPolarHBondContact O-CD2 3.33Å
621Q94Very high94.8Very high77 Ų7724.6 Ų24.636%0.3612%0.123SC..Hα-helixtrans-63.8-24175.5-75.2-179.8-29.300114.3I617 R618 A619 Y626I617-Q621 HydrophobicContact CG2-CG 4.49Å; I617-Q621 WeakPolarHBondContact O-CB 3.49Å; I617-Q621 VanDerWaalsContact O-CG 3.28Å; I617-Q621 WeakPolarHBondContact O-CG 3.2Å; I617-Q621 PolarHBondContact O-N 3.26Å; R618-Q621 PolarHBondContact O-N 2.8Å; A619-Q621 PolarHBondContact O-N 3.08Å; Q621-Y626 HydrophobicContact CB-CD1 4.4Å; Q621-Y626 HydrophobicContact CB-CE1 4.3Å; Q621-Y626 HydrophobicContact CB-CE2 4.45Å; Q621-Y626 HydrophobicContact CG-CD1 4.38Å; Q621-Y626 HydrophobicContact CG-CD2 4.28Å; Q621-Y626 HydrophobicContact CG-CE1 3.85Å; Q621-Y626 HydrophobicContact CG-CE2 3.7Å; Q621-Y626 VanDerWaalsContact CG-CZ 3.46Å; Q621-Y626 PolarHBondContact NE2-OH 3.49Å
622A91.9Very high95.1Very high20 Ų2022.4 Ų22.417%0.16511%0.112CC..Hα-helixtrans-81.4-15.8179.300000113Q484 L549 R618 A619 W620Q484-A622 PolarHBondContact NE2-O 2.88Å; L549-A622 HydrophobicContact CD1-CB 3.6Å; R618-A622 PolarHBondContact O-N 3.21Å; A619-A622 WeakPolarHBondContact O-CB 3.38Å; A619-A622 PolarHBondContact O-N 3.01Å; A619-A622 VanDerWaalsContact O-N 3.14Å; W620-A622 PolarHBondContact O-N 3.02Å
623L93.6Very high95.3Very high7 Ų722.4 Ų22.44%0.03711%0.112CC..SBendtrans-66.5144-179.5-64.5178.9000111.8I359 I364 E370 F374 A619 W620 E625 Y626I359-L623 HydrophobicContact CD1-CD1 3.42Å; I359-L623 VanDerWaalsContact CD1-CD1 3.42Å; I364-L623 HydrophobicContact CG2-CB 4.13Å; I364-L623 HydrophobicContact CG2-CD1 3.65Å; E370-L623 VanDerWaalsContact CD-CD2 3.47Å; E370-L623 HydrophobicContact CG-CD2 4.43Å; E370-L623 VanDerWaalsContact OE2-CD2 3.24Å; E370-L623 WeakPolarHBondContact OE2-CD2 3.46Å; F374-L623 HydrophobicContact CE2-CD1 3.96Å; F374-L623 HydrophobicContact CE2-CD2 4.37Å; F374-L623 HydrophobicContact CE2-CG 4.49Å; F374-L623 HydrophobicContact CZ-CD1 3.96Å; F374-L623 HydrophobicContact CZ-CG 4.35Å; A619-L623 PolarHBondContact O-N 3.08Å; W620-L623 WeakPolarHBondContact O-CB 3.21Å; W620-L623 PolarHBondContact O-N 3.4Å; L623-E625 VanDerWaalsContact C-N 3.31Å; L623-E625 PolarHBondContact O-N 3.41Å; L623-Y626 VanDerWaalsContact O-CB 3.27Å; L623-Y626 WeakPolarHBondContact O-CB 3.39Å; L623-Y626 PolarHBondContact O-N 2.86Å; L623-Y626 VanDerWaalsContact O-N 3.13Å
624P89.3Confident95.3Very high62 Ų6226.1 Ų26.140%0.40313%0.126SC..THydrogen-bonded Turntrans-59.4-34.5-175.8-26.535.2000115.3I628P624-I628 WeakPolarHBondContact O-CD1 3.39Å
625E91.8Very high95.4Very high29 Ų2926.4 Ų26.414%0.13613%0.126CC..THydrogen-bonded Turntrans-91.63.5-179-61.1-171.5172.400113.6K302 I364 L623 G627 I628 Y630K302-E625 IonicContact NZ-OE1 3.7Å; K302-E625 IonicContact NZ-OE2 3.78Å; K302-E625 PolarHBondContact NZ-OE2 3.04Å; I364-E625 HydrophobicContact CG2-CB 4.25Å; L623-E625 VanDerWaalsContact C-N 3.31Å; L623-E625 PolarHBondContact O-N 3.41Å; E625-G627 PolarHBondContact O-N 3.04Å; E625-I628 WeakPolarHBondContact O-CB 3.36Å; E625-I628 PolarHBondContact O-N 3.06Å; E625-I628 VanDerWaalsContact O-N 3.17Å; E625-Y630 VanDerWaalsContact CD-OH 3.3Å
626Y94.8Very high95.1Very high39 Ų3927.5 Ų27.515%0.15314%0.137CC..THydrogen-bonded Turntrans-57.2129.5178.8172.2-96.5000112.1M334 F336 W620 Q621 L623 I628M334-Y626 VanDerWaalsContact C-OH 3.32Å; M334-Y626 HydrophobicContact CB-CE1 4.28Å; M334-Y626 HydrophobicContact CB-CE2 4.15Å; M334-Y626 WeakPolarHBondContact O-CE1 3.23Å; M334-Y626 VanDerWaalsContact O-CZ 3.25Å; M334-Y626 PolarHBondContact O-OH 2.96Å; F336-Y626 VanDerWaalsContact CE2-OH 3.23Å; F336-Y626 WeakPolarHBondContact CE2-OH 3.34Å; W620-Y626 AromaticContact CD2-CD2 3.74Å; W620-Y626 HydrophobicContact CD2-CD2 3.74Å; W620-Y626 AromaticContact CD2-CE2 3.69Å; W620-Y626 HydrophobicContact CD2-CE2 3.69Å; W620-Y626 AromaticContact CE2-CD2 3.72Å; W620-Y626 AromaticContact CE2-CE2 3.85Å; W620-Y626 HydrophobicContact CE3-CD2 4.12Å; W620-Y626 AromaticContact CE3-CE2 3.57Å; W620-Y626 HydrophobicContact CE3-CE2 3.57Å; W620-Y626 HydrophobicContact CG-CD2 4.14Å; W620-Y626 HydrophobicContact CG-CE2 4.46Å; W620-Y626 HydrophobicContact CH2-CD2 4.45Å; W620-Y626 AromaticContact CH2-CE2 3.82Å; W620-Y626 HydrophobicContact CH2-CE2 3.82Å; W620-Y626 HydrophobicContact CZ2-CD2 4.08Å; W620-Y626 AromaticContact CZ2-CE2 3.91Å; W620-Y626 HydrophobicContact CZ2-CE2 3.91Å; W620-Y626 HydrophobicContact CZ3-CD2 4.49Å; W620-Y626 AromaticContact CZ3-CE2 3.67Å; W620-Y626 HydrophobicContact CZ3-CE2 3.67Å; W620-Y626 WeakPolarHBondContact O-CB 3.35Å; W620-Y626 WeakPolarHBondContact O-CD2 3.33Å; Q621-Y626 HydrophobicContact CB-CD1 4.4Å; Q621-Y626 HydrophobicContact CB-CE1 4.3Å; Q621-Y626 HydrophobicContact CB-CE2 4.45Å; Q621-Y626 HydrophobicContact CG-CD1 4.38Å; Q621-Y626 HydrophobicContact CG-CD2 4.28Å; Q621-Y626 HydrophobicContact CG-CE1 3.85Å; Q621-Y626 HydrophobicContact CG-CE2 3.7Å; Q621-Y626 VanDerWaalsContact CG-CZ 3.46Å; Q621-Y626 PolarHBondContact NE2-OH 3.49Å; L623-Y626 VanDerWaalsContact O-CB 3.27Å; L623-Y626 WeakPolarHBondContact O-CB 3.39Å; L623-Y626 PolarHBondContact O-N 2.86Å; L623-Y626 VanDerWaalsContact O-N 3.13Å; Y626-I628 PolarHBondContact O-N 2.92Å
627G95.5Very high94.4Very high8 Ų835 Ų358%0.08218%0.178CC..THydrogen-bonded Turntrans68.215.9177.400000114.8E625 A647 Y710E625-G627 PolarHBondContact O-N 3.04Å; G627-A647 WeakPolarHBondContact O-CA 3.47Å; G627-Y710 PolarHBondContact O-OH 3.41Å; G627-Y710 VanDerWaalsContact O-OH 3.05Å
628I96Very high94Very high26 Ų2635.9 Ų35.913%0.13319%0.185CC..  trans-96.4119.2177.1-58-166.1000109.9P624 E625 Y626 Y630 A645 A647P624-I628 WeakPolarHBondContact O-CD1 3.39Å; E625-I628 WeakPolarHBondContact O-CB 3.36Å; E625-I628 PolarHBondContact O-N 3.06Å; E625-I628 VanDerWaalsContact O-N 3.17Å; Y626-I628 PolarHBondContact O-N 2.92Å; I628-Y630 HydrophobicContact CG2-CD1 4.38Å; I628-Y630 HydrophobicContact CG2-CE1 3.77Å; I628-Y630 HydrophobicContact CG2-CE2 4.17Å; I628-A645 HydrophobicContact CG2-CB 3.41Å; I628-A645 VanDerWaalsContact CG2-CB 3.41Å; I628-A647 HydrophobicContact CG1-CB 4.34Å
629H97.6Very high93.7Very high16 Ų1642.4 Ų42.47%0.07421%0.209CC..EExtended strand (participates in β ladder)trans-108.7118.1-179.5-59.4-80.2000111.3K332 F631 A645 I646 F706 Y710K332-H629 PolarHBondContact O-CE1 3.46Å; K332-H629 PolarHBondContact O-NE2 2.89Å; H629-F631 HydrophobicContact CB-CE2 4.01Å; H629-F631 HydrophobicContact CB-CZ 4.45Å; H629-F631 WeakPolarHBondContact O-CE2 3.45Å; H629-A645 CarbonylContact O-C 3.59Å; H629-A645 VanDerWaalsContact O-CA 3.28Å; H629-A645 WeakPolarHBondContact O-CA 3.29Å; H629-I646 PolarHBondContact CD2-O 3.46Å; H629-I646 PolarHBondContact N-O 3.46Å; H629-I646 PolarHBondContact O-N 3.42Å; H629-F706 HydrophobicContact CB-CD1 4.34Å; H629-F706 HydrophobicContact CB-CE1 4.14Å; H629-F706 HydrophobicContact CB-CZ 4.26Å; H629-F706 AromaticContact CD2-CD1 3.62Å; H629-F706 AromaticContact CD2-CE1 3.4Å; H629-F706 VanDerWaalsContact CD2-CE1 3.4Å; H629-F706 WeakPolarHBondContact CD2-CE1 3.35Å; H629-F706 AromaticContact CE1-CE1 3.46Å; H629-F706 VanDerWaalsContact CE1-CE1 3.46Å; H629-F706 WeakPolarHBondContact CE1-CE1 3.15Å; H629-F706 AromaticContact CE1-CZ 3.98Å; H629-F706 AromaticContact CG-CD1 3.86Å; H629-F706 AromaticContact CG-CE1 3.39Å; H629-F706 AromaticContact CG-CZ 3.79Å; H629-F706 AromaticContact ND1-CE1 3.46Å; H629-F706 WeakPolarHBondContact ND1-CE1 3.43Å; H629-F706 AromaticContact ND1-CZ 3.62Å; H629-F706 AromaticContact NE2-CD1 3.97Å; H629-F706 AromaticContact NE2-CE1 3.42Å; H629-F706 WeakPolarHBondContact NE2-CE1 3.43Å; H629-Y710 AromaticContact CD2-CE2 3.73Å; H629-Y710 AromaticContact CD2-CZ 3.84Å; H629-Y710 PolarHBondContact CD2-OH 3.32Å; H629-Y710 AromaticContact NE2-CZ 3.73Å; H629-Y710 PolarHBondContact NE2-OH 2.99Å
630Y97.8Very high93.5Very high11 Ų1150.2 Ų50.24%0.04324%0.243CC..EExtended strand (participates in β ladder)trans-88.9146.3-174.8-59.1-77000112.9Y299 K302 A303 N306 E625 I628 L643 I644 A645 M654Y299-Y630 HydrophobicContact CD1-CD1 4.11Å; Y299-Y630 AromaticContact CD1-CE1 3.9Å; Y299-Y630 HydrophobicContact CD1-CE1 3.9Å; Y299-Y630 HydrophobicContact CD1-CG 4.49Å; Y299-Y630 AromaticContact CE1-CE1 3.92Å; Y299-Y630 HydrophobicContact CE1-CE1 3.92Å; Y299-Y630 AromaticContact CE1-CZ 3.94Å; K302-Y630 HydrophobicContact CB-CD2 3.85Å; K302-Y630 HydrophobicContact CB-CE2 4.46Å; K302-Y630 HydrophobicContact CB-CG 4.5Å; K302-Y630 HydrophobicContact CD-CD2 4.26Å; K302-Y630 HydrophobicContact CD-CE2 4Å; A303-Y630 VanDerWaalsContact CA-O 3.27Å; A303-Y630 WeakPolarHBondContact CA-O 3.28Å; A303-Y630 WeakPolarHBondContact CB-O 3.23Å; N306-Y630 PolarHBondContact ND2-O 3.3Å; N306-Y630 VanDerWaalsContact ND2-O 3.1Å; E625-Y630 VanDerWaalsContact CD-OH 3.3Å; I628-Y630 HydrophobicContact CG2-CD1 4.38Å; I628-Y630 HydrophobicContact CG2-CE1 3.77Å; I628-Y630 HydrophobicContact CG2-CE2 4.17Å; Y630-L643 HydrophobicContact CD1-CD2 3.71Å; Y630-L643 HydrophobicContact CD1-CG 4.2Å; Y630-L643 HydrophobicContact CE1-CD2 4.26Å; Y630-I644 CarbonylContact C-O 3.51Å; Y630-I644 WeakPolarHBondContact CA-O 3.42Å; Y630-A645 HydrophobicContact CD1-CB 3.76Å; Y630-A645 HydrophobicContact CE1-CB 3.9Å; Y630-M654 HydrophobicContact CD1-SD 4.47Å; Y630-M654 HydrophobicContact CE1-CE 4.14Å; Y630-M654 HydrophobicContact CE1-SD 4.01Å
631F98.2Very high93.4Very high0 Ų052.6 Ų52.60%026%0.259CS..EExtended strand (participates in β ladder)trans-141.9129.6171.1-57.3-88.6000110.4N306 H629 V633 I644 I646 S697 A698 V702 P703 F706N306-F631 HydrophobicContact CB-CD1 4.37Å; N306-F631 HydrophobicContact CB-CE1 3.59Å; N306-F631 HydrophobicContact CB-CZ 3.95Å; H629-F631 HydrophobicContact CB-CE2 4.01Å; H629-F631 HydrophobicContact CB-CZ 4.45Å; H629-F631 WeakPolarHBondContact O-CE2 3.45Å; F631-V633 HydrophobicContact CB-CG1 4.1Å; F631-I644 HydrophobicContact CB-CG1 4.15Å; F631-I644 HydrophobicContact CD2-CG1 4.2Å; F631-I644 PolarHBondContact N-O 3.03Å; F631-I644 PolarHBondContact O-N 3Å; F631-I646 HydrophobicContact CD2-CD1 4.05Å; F631-I646 HydrophobicContact CD2-CG1 4.28Å; F631-I646 HydrophobicContact CE2-CB 4.5Å; F631-I646 HydrophobicContact CE2-CD1 3.76Å; F631-I646 HydrophobicContact CE2-CG1 4.16Å; F631-S697 WeakPolarHBondContact CA-OG 3.42Å; F631-A698 HydrophobicContact CD1-CB 4.32Å; F631-A698 HydrophobicContact CE1-CB 4.36Å; F631-V702 HydrophobicContact CE1-CB 4.36Å; F631-V702 HydrophobicContact CE1-CG1 3.77Å; F631-V702 HydrophobicContact CZ-CG1 4.11Å; F631-P703 HydrophobicContact CD1-CB 4.43Å; F631-P703 HydrophobicContact CD2-CB 4.26Å; F631-P703 HydrophobicContact CE1-CB 4.33Å; F631-P703 HydrophobicContact CE2-CB 4.18Å; F631-P703 HydrophobicContact CG-CB 4.41Å; F631-P703 HydrophobicContact CZ-CB 4.22Å; F631-F706 HydrophobicContact CE2-CD2 4.2Å; F631-F706 AromaticContact CZ-CD2 3.53Å; F631-F706 HydrophobicContact CZ-CD2 3.53Å; F631-F706 AromaticContact CZ-CE2 3.7Å; F631-F706 HydrophobicContact CZ-CE2 3.7Å; F631-F706 HydrophobicContact CZ-CG 4.42Å
632V98Very high93.5Very high19 Ų1950.5 Ų50.512%0.11525%0.249CC..EExtended strand (participates in β ladder)trans-74.4125.9165.3-173.90000108.2A300 A303 P641 E642 L643 L656 L696 S697A300-V632 HydrophobicContact CB-CG2 4.26Å; A303-V632 HydrophobicContact CB-CG2 3.91Å; V632-P641 HydrophobicContact CG1-CB 3.96Å; V632-E642 WeakPolarHBondContact CA-O 3.33Å; V632-L643 HydrophobicContact CG2-CD1 4.41Å; V632-L656 HydrophobicContact CG1-CD2 4.39Å; V632-L656 HydrophobicContact CG2-CD1 3.93Å; V632-L696 HydrophobicContact CG1-CB 4.32Å; V632-L696 HydrophobicContact CG1-CD1 4.32Å; V632-L696 PolarHBondContact O-N 3.06Å; V632-S697 PolarHBondContact N-OG 3.09Å; V632-S697 PolarHBondContact O-N 3.07Å; V632-S697 PolarHBondContact O-OG 3.15Å
633V97.5Very high93.7Very high0 Ų049.6 Ų49.60%024%0.241CC..EExtended strand (participates in β ladder)trans-132.3168.8-176.3-55.30000112.1F631 F635 P641 E642 I644 F693 S694F631-V633 HydrophobicContact CB-CG1 4.1Å; V633-F635 HydrophobicContact CG2-CD2 4.15Å; V633-F635 HydrophobicContact CG2-CE2 3.78Å; V633-F635 HydrophobicContact CG2-CZ 4.15Å; V633-P641 CarbonylContact O-C 3.43Å; V633-P641 WeakPolarHBondContact O-CA 3.41Å; V633-E642 PolarHBondContact N-O 3.37Å; V633-E642 PolarHBondContact O-N 3.2Å; V633-I644 HydrophobicContact CB-CG2 4.11Å; V633-I644 HydrophobicContact CG1-CD1 4.3Å; V633-I644 HydrophobicContact CG1-CG1 4.29Å; V633-I644 HydrophobicContact CG1-CG2 3.7Å; V633-I644 HydrophobicContact CG2-CG2 3.3Å; V633-F693 HydrophobicContact CB-CB 4.24Å; V633-F693 HydrophobicContact CB-CD2 3.83Å; V633-F693 HydrophobicContact CB-CG 4.26Å; V633-F693 HydrophobicContact CG1-CD2 3.55Å; V633-F693 HydrophobicContact CG1-CE2 3.81Å; V633-F693 HydrophobicContact CG1-CG 4.34Å; V633-F693 HydrophobicContact CG2-CB 4.35Å; V633-F693 HydrophobicContact CG2-CD2 4.47Å; V633-F693 HydrophobicContact CG2-CG 4.47Å; V633-S694 CarbonylContact C-O 3.48Å; V633-S694 WeakPolarHBondContact CA-O 3.49Å; V633-S694 VanDerWaalsContact CB-O 3.3Å; V633-S694 WeakPolarHBondContact CB-O 3.29Å
634R96.6Very high93.9Very high78 Ų7849.2 Ų49.229%0.29424%0.239SC..EExtended strand (participates in β ladder)trans-127.7113.7164-177.3178.4-65.1136.22109.5F693 S694 L696R634-F693 WeakPolarHBondContact O-CA 3.44Å; R634-S694 PolarHBondContact N-O 2.83Å; R634-S694 PolarHBondContact O-N 3.18Å; R634-S694 PolarHBondContact O-OG 3.05Å; R634-L696 HydrophobicContact CB-CD1 4.18Å; R634-L696 HydrophobicContact CB-CD2 4.49Å; R634-L696 HydrophobicContact CB-CG 4.46Å
635F95.2Very high94.3Very high17 Ų1746.3 Ų46.38%0.07522%0.22CC..EExtended strand (participates in β ladder)trans-67.2149.4171.8-67.8-81.7000110.7V633 N637 A638 E642 I644 R653 W665 V691 F693V633-F635 HydrophobicContact CG2-CD2 4.15Å; V633-F635 HydrophobicContact CG2-CE2 3.78Å; V633-F635 HydrophobicContact CG2-CZ 4.15Å; F635-N637 PolarHBondContact O-N 3.06Å; F635-A638 HydrophobicContact CB-CB 3.9Å; F635-A638 PolarHBondContact O-N 3.01Å; F635-E642 HydrophobicContact CD2-CB 4.14Å; F635-E642 HydrophobicContact CD2-CG 4.43Å; F635-E642 HydrophobicContact CE2-CB 3.98Å; F635-I644 HydrophobicContact CE2-CG2 4.33Å; F635-I644 HydrophobicContact CZ-CG2 3.83Å; F635-R653 HydrophobicContact CE2-CG 3.87Å; F635-R653 HydrophobicContact CZ-CB 4.36Å; F635-R653 HydrophobicContact CZ-CG 3.89Å; F635-W665 HydrophobicContact CE1-CH2 4.36Å; F635-W665 HydrophobicContact CZ-CH2 4.43Å; F635-V691 HydrophobicContact CD1-CG1 4.31Å; F635-V691 HydrophobicContact CE1-CG1 3.81Å; F635-F693 HydrophobicContact CD1-CB 3.9Å; F635-F693 HydrophobicContact CD1-CD1 4.47Å; F635-F693 HydrophobicContact CE1-CB 4.21Å; F635-F693 HydrophobicContact CE1-CD1 4.07Å; F635-F693 HydrophobicContact CE1-CG 4.49Å; F635-F693 HydrophobicContact CG-CB 4.35Å
636S88.5Confident94.6Very high49 Ų4944.9 Ų44.934%0.34321%0.214SC..THydrogen-bonded Turntrans-54.5-37.5179.951.50000113.2E692S636-E692 PolarHBondContact N-O 3.27Å
637N84.2Confident94.7Very high160 Ų16043.1 Ų43.186%0.85621%0.207SC*.THydrogen-bonded Turntrans-92.91.7-178-60.9-17.1000113.8F635F635-N637 PolarHBondContact O-N 3.06Å
638A87.8Confident94.6Very high19 Ų1947.1 Ų47.116%0.15722%0.22CC..  trans-109.8135-175.800000111.9F635 E642F635-A638 HydrophobicContact CB-CB 3.9Å; F635-A638 PolarHBondContact O-N 3.01Å; A638-E642 WeakPolarHBondContact CB-OE1 3.07Å
639R85.9Confident94.5Very high246 Ų24647.4 Ų47.493%0.92822%0.222SC*.SBendtrans-81.8-34.7173.9-66.8-174.1-179.2-1780.8112.6
640K92.5Very high94.4Very high167 Ų16748.3 Ų48.373%0.72623%0.225SC*.SBendtrans-94.5148-176.9-67.1-174.6178.6-177.10110.5
641P95Very high94.3Very high54 Ų5447.9 Ų47.935%0.35122%0.223SC..  trans-58.2145.8166.6-20.533.2000111V632 V633 L656 L696V632-P641 HydrophobicContact CG1-CB 3.96Å; V633-P641 CarbonylContact O-C 3.43Å; V633-P641 WeakPolarHBondContact O-CA 3.41Å; P641-L656 HydrophobicContact CB-CD2 4.33Å; P641-L696 HydrophobicContact CB-CD1 4.07Å; P641-L696 HydrophobicContact CG-CD1 4.18Å
642E95.4Very high94.2Very high34 Ų3448.1 Ų48.116%0.15923%0.225CC..EExtended strand (participates in β ladder)trans-132.2175.8175.3-67.8-175.7-128.300109.2V632 V633 F635 A638 R653V632-E642 WeakPolarHBondContact CA-O 3.33Å; V633-E642 PolarHBondContact N-O 3.37Å; V633-E642 PolarHBondContact O-N 3.2Å; F635-E642 HydrophobicContact CD2-CB 4.14Å; F635-E642 HydrophobicContact CD2-CG 4.43Å; F635-E642 HydrophobicContact CE2-CB 3.98Å; A638-E642 WeakPolarHBondContact CB-OE1 3.07Å; E642-R653 IonicContact OE1-CZ 2.68Å; E642-R653 IonicContact OE1-NE 3.97Å; E642-R653 IonicContact OE1-NH2 3.12Å; E642-R653 PolarHBondContact OE1-NH2 3.33Å; E642-R653 IonicContact OE2-CZ 3.83Å; E642-R653 VanDerWaalsContact OE2-CZ 3.23Å; E642-R653 IonicContact OE2-NE 3.37Å; E642-R653 PolarHBondContact OE2-NE 2.77Å; E642-R653 IonicContact OE2-NH2 3.78Å; E642-R653 PolarHBondContact OE2-NH2 2.91Å
643L97.4Very high94.1Very high0 Ų050.7 Ų50.70%023%0.232CC..EExtended strand (participates in β ladder)trans-108.5137.7177-166.572.6000109.1Y299 A303 Y630 V632 M654 L656Y299-L643 HydrophobicContact CD1-CD2 3.77Å; Y299-L643 HydrophobicContact CG-CD2 3.74Å; A303-L643 HydrophobicContact CB-CD1 4.4Å; Y630-L643 HydrophobicContact CD1-CD2 3.71Å; Y630-L643 HydrophobicContact CD1-CG 4.2Å; Y630-L643 HydrophobicContact CE1-CD2 4.26Å; V632-L643 HydrophobicContact CG2-CD1 4.41Å; L643-M654 HydrophobicContact CB-CB 4.12Å; L643-M654 HydrophobicContact CD2-CB 4.09Å; L643-M654 HydrophobicContact CG-CB 4.43Å; L643-M654 PolarHBondContact N-O 3.23Å; L643-M654 PolarHBondContact O-N 2.68Å; L643-M654 VanDerWaalsContact O-O 3.11Å; L643-L656 HydrophobicContact CB-CB 4.43Å; L643-L656 HydrophobicContact CB-CD1 4.21Å; L643-L656 HydrophobicContact CD1-CD1 3.87Å
644I97.8Very high93.9Very high0 Ų051.2 Ų51.20%024%0.235CC..EExtended strand (participates in β ladder)trans-113.8152.7157.692.7-178.8000108.3Y630 F631 V633 F635 I646 I651 I652 F693Y630-I644 CarbonylContact C-O 3.51Å; Y630-I644 WeakPolarHBondContact CA-O 3.42Å; F631-I644 HydrophobicContact CB-CG1 4.15Å; F631-I644 HydrophobicContact CD2-CG1 4.2Å; F631-I644 PolarHBondContact N-O 3.03Å; F631-I644 PolarHBondContact O-N 3Å; V633-I644 HydrophobicContact CB-CG2 4.11Å; V633-I644 HydrophobicContact CG1-CD1 4.3Å; V633-I644 HydrophobicContact CG1-CG1 4.29Å; V633-I644 HydrophobicContact CG1-CG2 3.7Å; V633-I644 HydrophobicContact CG2-CG2 3.3Å; F635-I644 HydrophobicContact CE2-CG2 4.33Å; F635-I644 HydrophobicContact CZ-CG2 3.83Å; I644-I646 HydrophobicContact CD1-CD1 4.14Å; I644-I646 HydrophobicContact CD1-CG1 4.05Å; I644-I646 HydrophobicContact CG1-CG1 4.31Å; I644-I651 HydrophobicContact CB-CG2 4.44Å; I644-I651 HydrophobicContact CD1-CG2 4.19Å; I644-I652 CarbonylContact C-O 3.11Å; I644-I652 WeakPolarHBondContact CA-O 3.42Å; I644-F693 HydrophobicContact CD1-CE1 3.89Å; I644-F693 HydrophobicContact CD1-CE2 3.69Å; I644-F693 HydrophobicContact CD1-CZ 3.24Å
645A97.8Very high93.7Very high0 Ų050.8 Ų50.80%024%0.238CC..EExtended strand (participates in β ladder)trans-123.5138.3165.900000110.7I628 H629 Y630 I651 I652 M654I628-A645 HydrophobicContact CG2-CB 3.41Å; I628-A645 VanDerWaalsContact CG2-CB 3.41Å; H629-A645 CarbonylContact O-C 3.59Å; H629-A645 VanDerWaalsContact O-CA 3.28Å; H629-A645 WeakPolarHBondContact O-CA 3.29Å; Y630-A645 HydrophobicContact CD1-CB 3.76Å; Y630-A645 HydrophobicContact CE1-CB 3.9Å; A645-I651 CarbonylContact O-C 3.55Å; A645-I651 WeakPolarHBondContact O-CA 3.31Å; A645-I652 HydrophobicContact CB-CB 4.42Å; A645-I652 PolarHBondContact N-O 2.93Å; A645-I652 PolarHBondContact O-N 2.96Å; A645-M654 HydrophobicContact CB-SD 3.49Å; A645-M654 WeakPolarHBondContact CB-SD 3.25Å
646I98Very high93.7Very high0 Ų051.7 Ų51.70%024%0.244CC..EExtended strand (participates in β ladder)trans-112.4120.3176.9-56.4175.7000107.6H629 F631 I644 F667 P703 F706 I707 Y710H629-I646 PolarHBondContact CD2-O 3.46Å; H629-I646 PolarHBondContact N-O 3.46Å; H629-I646 PolarHBondContact O-N 3.42Å; F631-I646 HydrophobicContact CD2-CD1 4.05Å; F631-I646 HydrophobicContact CD2-CG1 4.28Å; F631-I646 HydrophobicContact CE2-CB 4.5Å; F631-I646 HydrophobicContact CE2-CD1 3.76Å; F631-I646 HydrophobicContact CE2-CG1 4.16Å; I644-I646 HydrophobicContact CD1-CD1 4.14Å; I644-I646 HydrophobicContact CD1-CG1 4.05Å; I644-I646 HydrophobicContact CG1-CG1 4.31Å; I646-F667 HydrophobicContact CG2-CZ 4.23Å; I646-P703 HydrophobicContact CD1-CB 3.54Å; I646-F706 HydrophobicContact CD1-CB 4.18Å; I646-F706 HydrophobicContact CG2-CB 4.07Å; I646-I707 HydrophobicContact CD1-CD1 4.49Å; I646-I707 HydrophobicContact CD1-CG1 4.18Å; I646-I707 HydrophobicContact CG2-CG1 4.3Å; I646-Y710 HydrophobicContact CG2-CD2 4.25Å; I646-Y710 HydrophobicContact CG2-CE2 4.43Å
647A96.1Very high93.9Very high1 Ų157.2 Ų57.21%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-112177.4172.100000110G627 I628 N649 R650G627-A647 WeakPolarHBondContact O-CA 3.47Å; I628-A647 HydrophobicContact CG1-CB 4.34Å; A647-N649 PolarHBondContact O-N 3.08Å; A647-R650 HydrophobicContact CB-CG 4.05Å; A647-R650 PolarHBondContact N-O 2.73Å; A647-R650 PolarHBondContact O-N 2.87Å
648Y94.2Very high94.2Very high92 Ų9253.1 Ų53.136%0.36125%0.245SC..THydrogen-bonded Turntrans-57.8-19.6-172.978.4-85.2000115.8
649N92.9Very high94.3Very high33 Ų3352.7 Ų52.718%0.17624%0.242CC..THydrogen-bonded Turntrans-137.94.9-174.367-18.4000114.7A647 F667A647-N649 PolarHBondContact O-N 3.08Å; N649-F667 PolarHBondContact O-N 3.09Å
650R94.9Very high94.4Very high34 Ų3445 Ų4513%0.12822%0.22CC..EExtended strand (participates in β ladder)trans-163.3161.4-169.566.9-165.7-173.5-75.77.2113.5E481 A647 I652 T664 W665 R666E481-R650 WeakPolarHBondContact OE1-CD 3.31Å; E481-R650 IonicContact OE1-NE 3.87Å; E481-R650 PolarHBondContact OE1-NE 3.43Å; E481-R650 VanDerWaalsContact OE1-NE 3.16Å; E481-R650 IonicContact OE2-CZ 2.73Å; E481-R650 IonicContact OE2-NE 2.7Å; E481-R650 PolarHBondContact OE2-NE 3.47Å; E481-R650 IonicContact OE2-NH2 3.64Å; E481-R650 PolarHBondContact OE2-NH2 3.4Å; A647-R650 HydrophobicContact CB-CG 4.05Å; A647-R650 PolarHBondContact N-O 2.73Å; A647-R650 PolarHBondContact O-N 2.87Å; R650-I652 HydrophobicContact CG-CG1 4.32Å; R650-T664 HydrophobicContact CB-CG2 4.22Å; R650-T664 HydrophobicContact CG-CG2 4.43Å; R650-W665 CarbonylContact C-O 3.55Å; R650-W665 WeakPolarHBondContact CA-O 3.47Å; R650-W665 VanDerWaalsContact CB-O 3.27Å; R650-W665 WeakPolarHBondContact CB-O 3.37Å; R650-R666 HydrophobicContact CB-CG 4.26Å
651I96.9Very high94.3Very high2 Ų238.8 Ų38.81%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-118.6134.5172.4-50.4-176.2000107.7I644 A645 T664 W665 F667 M670 I684 F686 I707I644-I651 HydrophobicContact CB-CG2 4.44Å; I644-I651 HydrophobicContact CD1-CG2 4.19Å; A645-I651 CarbonylContact O-C 3.55Å; A645-I651 WeakPolarHBondContact O-CA 3.31Å; I651-T664 CarbonylContact O-C 3.6Å; I651-T664 WeakPolarHBondContact O-CA 3.49Å; I651-W665 HydrophobicContact CB-CE3 4.15Å; I651-W665 HydrophobicContact CG2-CE3 4.07Å; I651-W665 HydrophobicContact CG2-CZ3 4.37Å; I651-W665 PolarHBondContact N-O 3.33Å; I651-W665 PolarHBondContact O-N 2.98Å; I651-F667 HydrophobicContact CD1-CE1 4.25Å; I651-F667 HydrophobicContact CG1-CD1 4.47Å; I651-F667 HydrophobicContact CG1-CE1 3.73Å; I651-M670 HydrophobicContact CD1-CE 4.04Å; I651-I684 HydrophobicContact CD1-CD1 3.29Å; I651-F686 HydrophobicContact CD1-CZ 4.25Å; I651-I707 HydrophobicContact CD1-CD1 3.76Å; I651-I707 HydrophobicContact CD1-CG1 4.17Å
652I95.6Very high94.1Very high6 Ų639.4 Ų39.43%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-120.9123.5-178.5-48.2172.3000107.7I644 A645 R650 M654 K663 T664I644-I652 CarbonylContact C-O 3.11Å; I644-I652 WeakPolarHBondContact CA-O 3.42Å; A645-I652 HydrophobicContact CB-CB 4.42Å; A645-I652 PolarHBondContact N-O 2.93Å; A645-I652 PolarHBondContact O-N 2.96Å; R650-I652 HydrophobicContact CG-CG1 4.32Å; I652-M654 HydrophobicContact CB-CG 4.11Å; I652-M654 HydrophobicContact CB-SD 4.21Å; I652-M654 HydrophobicContact CG2-CG 3.54Å; I652-M654 HydrophobicContact CG2-SD 4.04Å; I652-K663 CarbonylContact C-O 3.45Å; I652-K663 WeakPolarHBondContact CA-O 3.46Å; I652-T664 HydrophobicContact CG1-CG2 4.25Å
653R95.3Very high94Very high72 Ų7239.4 Ų39.427%0.27220%0.199SC..EExtended strand (participates in β ladder)trans-80.9128.3165.2-178.9177.6-177-1773.7108.6F635 E642 V662 K663 W665F635-R653 HydrophobicContact CE2-CG 3.87Å; F635-R653 HydrophobicContact CZ-CB 4.36Å; F635-R653 HydrophobicContact CZ-CG 3.89Å; E642-R653 IonicContact OE1-CZ 2.68Å; E642-R653 IonicContact OE1-NE 3.97Å; E642-R653 IonicContact OE1-NH2 3.12Å; E642-R653 PolarHBondContact OE1-NH2 3.33Å; E642-R653 IonicContact OE2-CZ 3.83Å; E642-R653 VanDerWaalsContact OE2-CZ 3.23Å; E642-R653 IonicContact OE2-NE 3.37Å; E642-R653 PolarHBondContact OE2-NE 2.77Å; E642-R653 IonicContact OE2-NH2 3.78Å; E642-R653 PolarHBondContact OE2-NH2 2.91Å; R653-V662 HydrophobicContact CB-CB 4.48Å; R653-V662 HydrophobicContact CG-CB 4.21Å; R653-V662 WeakPolarHBondContact O-CB 3.46Å; R653-V662 PolarHBondContact O-N 3.1Å; R653-K663 HydrophobicContact CB-CB 4.38Å; R653-K663 PolarHBondContact N-O 2.96Å; R653-K663 PolarHBondContact O-N 3.37Å; R653-W665 HydrophobicContact CB-CH2 3.6Å; R653-W665 HydrophobicContact CB-CZ3 3.6Å; R653-W665 HydrophobicContact CG-CH2 4.39Å
654M94.7Very high93.8Very high11 Ų1140.2 Ų40.25%0.05420%0.204CC..EExtended strand (participates in β ladder)trans-134.2153.6-172.1-59173.977.500111.1Y630 L643 A645 I652 G659 D660Y630-M654 HydrophobicContact CD1-SD 4.47Å; Y630-M654 HydrophobicContact CE1-CE 4.14Å; Y630-M654 HydrophobicContact CE1-SD 4.01Å; L643-M654 HydrophobicContact CB-CB 4.12Å; L643-M654 HydrophobicContact CD2-CB 4.09Å; L643-M654 HydrophobicContact CG-CB 4.43Å; L643-M654 PolarHBondContact N-O 3.23Å; L643-M654 PolarHBondContact O-N 2.68Å; L643-M654 VanDerWaalsContact O-O 3.11Å; A645-M654 HydrophobicContact CB-SD 3.49Å; A645-M654 WeakPolarHBondContact CB-SD 3.25Å; I652-M654 HydrophobicContact CB-CG 4.11Å; I652-M654 HydrophobicContact CB-SD 4.21Å; I652-M654 HydrophobicContact CG2-CG 3.54Å; I652-M654 HydrophobicContact CG2-SD 4.04Å; M654-G659 WeakPolarHBondContact CE-O 3.19Å; M654-D660 CarbonylContact C-O 3.59Å; M654-D660 VanDerWaalsContact CA-O 3.24Å; M654-D660 WeakPolarHBondContact CA-O 3.33Å
655N92.7Very high93.6Very high69 Ų6941 Ų4137%0.36921%0.207SC..  trans-70132.3168.9-173-65.6000109.8E657 T658 G659 D660N655-E657 PolarHBondContact O-N 3.27Å; N655-E657 WeakPolarHBondContact OD1-CB 3.22Å; N655-E657 PolarHBondContact OD1-N 3.13Å; N655-T658 WeakPolarHBondContact CB-OG1 3.11Å; N655-T658 PolarHBondContact OD1-N 3.49Å; N655-T658 VanDerWaalsContact OD1-N 3.1Å; N655-G659 VanDerWaalsContact O-CA 3.28Å; N655-G659 WeakPolarHBondContact O-CA 3.44Å; N655-G659 PolarHBondContact O-N 2.79Å; N655-D660 PolarHBondContact N-O 2.83Å
656L94.2Very high93.3Very high36 Ų3642.8 Ų42.819%0.18821%0.214CC..THydrogen-bonded Turntrans-67.8-33.4-177.5-179.461.5000113.7A300 V632 P641 L643A300-L656 HydrophobicContact CB-CD1 4.42Å; V632-L656 HydrophobicContact CG1-CD2 4.39Å; V632-L656 HydrophobicContact CG2-CD1 3.93Å; P641-L656 HydrophobicContact CB-CD2 4.33Å; L643-L656 HydrophobicContact CB-CB 4.43Å; L643-L656 HydrophobicContact CB-CD1 4.21Å; L643-L656 HydrophobicContact CD1-CD1 3.87Å
657E92.6Very high93.1Very high165 Ų16544 Ų4477%0.77122%0.219SC*.THydrogen-bonded Turntrans-85.8-44.7-175.9-58.1-67.2174.200111.3N655N655-E657 PolarHBondContact O-N 3.27Å; N655-E657 WeakPolarHBondContact OD1-CB 3.22Å; N655-E657 PolarHBondContact OD1-N 3.13Å
658T90.6Very high92.8Very high75 Ų7549 Ų4946%0.4625%0.253SS..THydrogen-bonded Turntrans-96.2-23-173.866.70000113.9N655 D660N655-T658 WeakPolarHBondContact CB-OG1 3.11Å; N655-T658 PolarHBondContact OD1-N 3.49Å; N655-T658 VanDerWaalsContact OD1-N 3.1Å; T658-D660 VanDerWaalsContact CB-OD2 3.22Å; T658-D660 WeakPolarHBondContact CB-OD2 2.89Å; T658-D660 PolarHBondContact O-N 3.05Å; T658-D660 WeakPolarHBondContact OG1-CB 3.16Å; T658-D660 PolarHBondContact OG1-N 3.32Å; T658-D660 PolarHBondContact OG1-OD2 3.28Å
659G89.4Confident92.7Very high9 Ų946 Ų469%0.09325%0.246CC..  trans74.48-170.100000114.1M654 N655 S661M654-G659 WeakPolarHBondContact CE-O 3.19Å; N655-G659 VanDerWaalsContact O-CA 3.28Å; N655-G659 WeakPolarHBondContact O-CA 3.44Å; N655-G659 PolarHBondContact O-N 2.79Å; G659-S661 PolarHBondContact O-N 2.89Å
660D88.5Confident92.8Very high86 Ų8645.7 Ų45.746%0.4624%0.243SC..  trans-67.3134.1179.1-66.6-46.2000111M654 N655 T658 V662M654-D660 CarbonylContact C-O 3.59Å; M654-D660 VanDerWaalsContact CA-O 3.24Å; M654-D660 WeakPolarHBondContact CA-O 3.33Å; N655-D660 PolarHBondContact N-O 2.83Å; T658-D660 VanDerWaalsContact CB-OD2 3.22Å; T658-D660 WeakPolarHBondContact CB-OD2 2.89Å; T658-D660 PolarHBondContact O-N 3.05Å; T658-D660 WeakPolarHBondContact OG1-CB 3.16Å; T658-D660 PolarHBondContact OG1-N 3.32Å; T658-D660 PolarHBondContact OG1-OD2 3.28Å; D660-V662 PolarHBondContact O-N 3.44Å
661S89.9Confident92.8Very high36 Ų3650.2 Ų50.225%0.25226%0.264SS..EExtended strand (participates in β ladder)trans-71.7122.2176.3-64.90000110.9G659G659-S661 PolarHBondContact O-N 2.89Å
662V91.1Very high92.6Very high66 Ų6656.4 Ų56.440%0.429%0.287SS..EExtended strand (participates in β ladder)trans-93.6-50.2179.5179.30000110.7M505 R653 D660M505-V662 PolarHBondContact N-O 3.34Å; R653-V662 HydrophobicContact CB-CB 4.48Å; R653-V662 HydrophobicContact CG-CB 4.21Å; R653-V662 WeakPolarHBondContact O-CB 3.46Å; R653-V662 PolarHBondContact O-N 3.1Å; D660-V662 PolarHBondContact O-N 3.44Å
663K92.5Very high92.6Very high35 Ų3558.4 Ų58.415%0.15229%0.294CS..EExtended strand (participates in β ladder)trans-150.5144.6-178.2-166.7165.4-173.6176.10110I652 R653 W665 E689I652-K663 CarbonylContact C-O 3.45Å; I652-K663 WeakPolarHBondContact CA-O 3.46Å; R653-K663 HydrophobicContact CB-CB 4.38Å; R653-K663 PolarHBondContact N-O 2.96Å; R653-K663 PolarHBondContact O-N 3.37Å; K663-W665 HydrophobicContact CB-CZ2 4.32Å; K663-W665 HydrophobicContact CD-CZ2 3.91Å; K663-W665 HydrophobicContact CG-CZ2 4.13Å; K663-E689 WeakPolarHBondContact CD-OE1 3.1Å; K663-E689 WeakPolarHBondContact CE-OE1 3.43Å; K663-E689 IonicContact NZ-OE1 2.86Å; K663-E689 PolarHBondContact NZ-OE1 3.04Å; K663-E689 IonicContact NZ-OE2 3.76Å; K663-E689 PolarHBondContact NZ-OE2 3.37Å
664T93.7Very high92.6Very high17 Ų1758 Ų5810%0.10430%0.296CS..EExtended strand (participates in β ladder)trans-122.9132.4178.6-60.40000110E481 R650 I651 I652E481-T664 HydrophobicContact CG-CG2 4.14Å; R650-T664 HydrophobicContact CB-CG2 4.22Å; R650-T664 HydrophobicContact CG-CG2 4.43Å; I651-T664 CarbonylContact O-C 3.6Å; I651-T664 WeakPolarHBondContact O-CA 3.49Å; I652-T664 HydrophobicContact CG1-CG2 4.25Å
665W94.1Very high92.5Very high17 Ų1757.9 Ų57.96%0.06430%0.296CS..EExtended strand (participates in β ladder)trans-117.3132.9173.3-54.9-84.1000110.2F635 R650 I651 R653 K663 F686 E689 V691F635-W665 HydrophobicContact CE1-CH2 4.36Å; F635-W665 HydrophobicContact CZ-CH2 4.43Å; R650-W665 CarbonylContact C-O 3.55Å; R650-W665 WeakPolarHBondContact CA-O 3.47Å; R650-W665 VanDerWaalsContact CB-O 3.27Å; R650-W665 WeakPolarHBondContact CB-O 3.37Å; I651-W665 HydrophobicContact CB-CE3 4.15Å; I651-W665 HydrophobicContact CG2-CE3 4.07Å; I651-W665 HydrophobicContact CG2-CZ3 4.37Å; I651-W665 PolarHBondContact N-O 3.33Å; I651-W665 PolarHBondContact O-N 2.98Å; R653-W665 HydrophobicContact CB-CH2 3.6Å; R653-W665 HydrophobicContact CB-CZ3 3.6Å; R653-W665 HydrophobicContact CG-CH2 4.39Å; K663-W665 HydrophobicContact CB-CZ2 4.32Å; K663-W665 HydrophobicContact CD-CZ2 3.91Å; K663-W665 HydrophobicContact CG-CZ2 4.13Å; W665-F686 HydrophobicContact CB-CD1 3.95Å; W665-F686 HydrophobicContact CB-CD2 4.19Å; W665-F686 HydrophobicContact CB-CE1 3.44Å; W665-F686 VanDerWaalsContact CB-CE1 3.44Å; W665-F686 HydrophobicContact CB-CE2 3.68Å; W665-F686 HydrophobicContact CB-CG 4.31Å; W665-F686 HydrophobicContact CB-CZ 3.27Å; W665-F686 AromaticContact CD1-CD2 3.79Å; W665-F686 AromaticContact CD1-CE2 3.92Å; W665-F686 HydrophobicContact CD2-CE2 4.25Å; W665-F686 HydrophobicContact CG-CD2 4.04Å; W665-F686 HydrophobicContact CG-CE1 4.29Å; W665-F686 AromaticContact CG-CE2 3.69Å; W665-F686 HydrophobicContact CG-CE2 3.69Å; W665-F686 HydrophobicContact CG-CG 4.46Å; W665-F686 AromaticContact CG-CZ 3.83Å; W665-F686 HydrophobicContact CG-CZ 3.83Å; W665-E689 VanDerWaalsContact CE2-OE1 3.27Å; W665-E689 WeakPolarHBondContact CZ2-OE1 3.28Å; W665-E689 PolarHBondContact NE1-OE1 3.45Å; W665-V691 HydrophobicContact CD2-CG2 4.22Å; W665-V691 HydrophobicContact CH2-CG1 4.26Å; W665-V691 HydrophobicContact CH2-CG2 4.24Å; W665-V691 HydrophobicContact CZ2-CG1 4.45Å; W665-V691 HydrophobicContact CZ2-CG2 3.64Å
666R91.9Very high92.5Very high36 Ų3657.5 Ų57.514%0.13629%0.293CS..EExtended strand (participates in β ladder)trans-99.5147.3-177.9-65.3-164.2165.2-154.9-2.2111.1G479 C480 E481 A529 R650 C668 S669 M670G479-R666 VanDerWaalsContact C-CZ 3.47Å; G479-R666 VanDerWaalsContact C-NH2 3.27Å; G479-R666 PolarHBondContact O-NE 3.04Å; G479-R666 PolarHBondContact O-NH2 2.84Å; G479-R666 VanDerWaalsContact O-NH2 3.17Å; C480-R666 PolarHBondContact O-NH2 2.96Å; E481-R666 IonicContact OE1-CZ 3.28Å; E481-R666 IonicContact OE1-NE 3.26Å; E481-R666 IonicContact OE1-NH2 3.54Å; E481-R666 PolarHBondContact OE1-NH2 2.78Å; A529-R666 PolarHBondContact O-NH1 3.2Å; R650-R666 HydrophobicContact CB-CG 4.26Å; R666-C668 PolarHBondContact O-N 2.96Å; R666-S669 PolarHBondContact O-N 3.19Å; R666-S669 VanDerWaalsContact O-N 3.13Å; R666-S669 PolarHBondContact O-OG 3.49Å; R666-S669 VanDerWaalsContact O-OG 3.08Å; R666-M670 PolarHBondContact O-N 3.14Å
667F93.3Very high92.3Very high25 Ų2560.1 Ų60.111%0.1130%0.301CS..G310 helixtrans-61.4-30.3177-70.3-1.5000111.9I646 N649 I651 S669 M670 I707 I711I646-F667 HydrophobicContact CG2-CZ 4.23Å; N649-F667 PolarHBondContact O-N 3.09Å; I651-F667 HydrophobicContact CD1-CE1 4.25Å; I651-F667 HydrophobicContact CG1-CD1 4.47Å; I651-F667 HydrophobicContact CG1-CE1 3.73Å; F667-S669 PolarHBondContact O-N 3.49Å; F667-M670 HydrophobicContact CD1-CE 3.51Å; F667-M670 HydrophobicContact CE1-CE 3.82Å; F667-M670 HydrophobicContact CG-CE 4.39Å; F667-M670 VanDerWaalsContact O-CB 3.25Å; F667-M670 WeakPolarHBondContact O-CB 3.39Å; F667-M670 PolarHBondContact O-N 2.93Å; F667-I707 HydrophobicContact CE1-CG1 4.37Å; F667-I707 HydrophobicContact CE1-CG2 4.25Å; F667-I707 HydrophobicContact CZ-CB 4.35Å; F667-I707 HydrophobicContact CZ-CG1 4.24Å; F667-I707 HydrophobicContact CZ-CG2 4.14Å; F667-I711 HydrophobicContact CD2-CD1 4.32Å; F667-I711 HydrophobicContact CD2-CG1 3.71Å; F667-I711 HydrophobicContact CE2-CG1 4.05Å; F667-I711 HydrophobicContact CG-CG1 4.42Å
668C90.2Very high92.1Very high107 Ų10760.3 Ų60.372%0.72330%0.302SS*.G310 helixtrans-64.8-21.3177.663.80000114.4R666R666-C668 PolarHBondContact O-N 2.96Å
669S91.3Very high92.2Very high30 Ų3061 Ų6121%0.2130%0.302CS..G310 helixtrans-101.44.9173.1630000112.5R666 F667 F686 E687R666-S669 PolarHBondContact O-N 3.19Å; R666-S669 VanDerWaalsContact O-N 3.13Å; R666-S669 PolarHBondContact O-OG 3.49Å; R666-S669 VanDerWaalsContact O-OG 3.08Å; F667-S669 PolarHBondContact O-N 3.49Å; S669-F686 CarbonylContact O-C 3.43Å; S669-F686 VanDerWaalsContact O-CA 3.23Å; S669-F686 WeakPolarHBondContact O-CA 3.39Å; S669-E687 PolarHBondContact O-N 3.16Å
670M94.8Very high92.3Very high25 Ų2564.8 Ų64.812%0.12332%0.316CS..EExtended strand (participates in β ladder)trans-82123.5177.4-168.1-174.2-61.900109.4I651 R666 F667 W673 I684 F686 I707I651-M670 HydrophobicContact CD1-CE 4.04Å; R666-M670 PolarHBondContact O-N 3.14Å; F667-M670 HydrophobicContact CD1-CE 3.51Å; F667-M670 HydrophobicContact CE1-CE 3.82Å; F667-M670 HydrophobicContact CG-CE 4.39Å; F667-M670 VanDerWaalsContact O-CB 3.25Å; F667-M670 WeakPolarHBondContact O-CB 3.39Å; F667-M670 PolarHBondContact O-N 2.93Å; M670-W673 HydrophobicContact SD-CB 4.12Å; M670-W673 HydrophobicContact SD-CD2 4Å; M670-W673 HydrophobicContact SD-CE3 3.46Å; M670-W673 HydrophobicContact SD-CG 4.28Å; M670-W673 HydrophobicContact SD-CZ3 4.23Å; M670-I684 HydrophobicContact CE-CG2 3.75Å; M670-I684 HydrophobicContact CG-CG2 3.75Å; M670-I684 HydrophobicContact SD-CG2 3.8Å; M670-F686 HydrophobicContact CB-CD1 3.89Å; M670-F686 HydrophobicContact CB-CE1 3.78Å; M670-F686 HydrophobicContact CE-CE1 3.78Å; M670-F686 HydrophobicContact CE-CZ 3.89Å; M670-F686 HydrophobicContact CG-CD1 4.29Å; M670-F686 HydrophobicContact CG-CE1 4.03Å; M670-I707 HydrophobicContact CE-CG2 4.04Å; M670-I707 HydrophobicContact SD-CG2 4.11Å
671K95.1Very high92.6Very high129 Ų12964.5 Ų64.556%0.56131%0.308SS*.EExtended strand (participates in β ladder)trans-86.5-43.4176.7-64.9173.6174.5160.30111.6Q685 E687K671-Q685 HydrophobicContact CB-CG 4.17Å; K671-Q685 HydrophobicContact CD-CG 4.14Å; K671-Q685 PolarHBondContact N-O 3.09Å; K671-E687 HydrophobicContact CG-CG 4.44Å
672R94Very high92.8Very high133 Ų13362.8 Ų62.850%0.50230%0.296SS..EExtended strand (participates in β ladder)trans-163.3158.1178.160.4178.1-176.91484.7111.6Q685R672-Q685 HydrophobicContact CG-CB 3.94Å; R672-Q685 PolarHBondContact N-O 3.02Å; R672-Q685 PolarHBondContact O-N 2.76Å
673W95.3Very high93Very high47 Ų4761.8 Ų61.818%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-140.4152168.173.3103.1000110.4M670 F683 I684 H704 I707 I711 L732M670-W673 HydrophobicContact SD-CB 4.12Å; M670-W673 HydrophobicContact SD-CD2 4Å; M670-W673 HydrophobicContact SD-CE3 3.46Å; M670-W673 HydrophobicContact SD-CG 4.28Å; M670-W673 HydrophobicContact SD-CZ3 4.23Å; W673-F683 CarbonylContact C-O 3.56Å; W673-F683 VanDerWaalsContact CA-O 3.23Å; W673-F683 WeakPolarHBondContact CA-O 3.22Å; W673-I684 HydrophobicContact CB-CB 4.37Å; W673-I684 HydrophobicContact CB-CG1 4.07Å; W673-I684 HydrophobicContact CB-CG2 4.18Å; W673-H704 AromaticContact CD1-CE1 3.57Å; W673-H704 AromaticContact CD1-ND1 3.21Å; W673-H704 AromaticContact NE1-CE1 3.16Å; W673-H704 PolarHBondContact NE1-CE1 2.66Å; W673-H704 AromaticContact NE1-ND1 3.18Å; W673-H704 PolarHBondContact NE1-ND1 2.98Å; W673-H704 VanDerWaalsContact NE1-ND1 3.18Å; W673-I707 HydrophobicContact CD2-CG2 3.83Å; W673-I707 HydrophobicContact CE3-CG2 4.3Å; W673-I707 HydrophobicContact CG-CG2 4.16Å; W673-I707 HydrophobicContact CZ2-CG2 4.13Å; W673-I711 HydrophobicContact CE3-CD1 4.23Å; W673-I711 HydrophobicContact CH2-CD1 3.34Å; W673-I711 HydrophobicContact CZ2-CD1 4.05Å; W673-I711 HydrophobicContact CZ3-CD1 3.44Å; W673-I711 VanDerWaalsContact CZ3-CD1 3.44Å; W673-L732 HydrophobicContact CH2-CD2 3.78Å; W673-L732 HydrophobicContact CZ2-CD2 4.32Å
674H94Very high93.2Very high65 Ų6560.1 Ų60.130%0.30128%0.279SS..EExtended strand (participates in β ladder)trans-158163.8172.864.6-75.4000110.7F683H674-F683 AromaticContact CE1-CD1 3.32Å; H674-F683 WeakPolarHBondContact CE1-CD1 3.08Å; H674-F683 AromaticContact CE1-CG 3.81Å; H674-F683 PolarHBondContact N-O 3.12Å; H674-F683 AromaticContact ND1-CD1 3.73Å; H674-F683 PolarHBondContact O-N 3.09Å
675V93.2Very high93.3Very high8 Ų861.6 Ų61.65%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-101.8129172-176.50000108.7W677 R681 L682 C700 H704V675-W677 HydrophobicContact CB-CD2 4.01Å; V675-W677 HydrophobicContact CB-CE3 4.05Å; V675-W677 HydrophobicContact CB-CH2 3.7Å; V675-W677 HydrophobicContact CB-CZ2 3.7Å; V675-W677 HydrophobicContact CB-CZ3 3.91Å; V675-W677 HydrophobicContact CG1-CD2 3.75Å; V675-W677 HydrophobicContact CG1-CE3 3.44Å; V675-W677 VanDerWaalsContact CG1-CE3 3.44Å; V675-W677 HydrophobicContact CG1-CG 4.49Å; V675-W677 HydrophobicContact CG1-CH2 3.86Å; V675-W677 HydrophobicContact CG1-CZ2 4.19Å; V675-W677 HydrophobicContact CG1-CZ3 3.5Å; V675-W677 HydrophobicContact CG2-CH2 3.76Å; V675-W677 HydrophobicContact CG2-CZ2 4.08Å; V675-W677 HydrophobicContact CG2-CZ3 4.18Å; V675-W677 PolarHBondContact O-N 3.09Å; V675-R681 CarbonylContact C-O 3.55Å; V675-R681 WeakPolarHBondContact CA-O 3.42Å; V675-L682 HydrophobicContact CG2-CD1 3.44Å; V675-L682 VanDerWaalsContact CG2-CD1 3.44Å; V675-C700 HydrophobicContact CG1-CB 3.99Å; V675-H704 HydrophobicContact CG2-CB 3.71Å
676N92.3Very high93.3Very high60 Ų6061.1 Ų61.132%0.32128%0.283SS..EExtended strand (participates in β ladder)trans-82.4103.2160.4-175.7-34.2000108.1E678 I679 K680 R681N676-E678 VanDerWaalsContact C-N 3.29Å; N676-E678 PolarHBondContact O-N 3.45Å; N676-E678 WeakPolarHBondContact OD1-CB 3.33Å; N676-E678 PolarHBondContact OD1-N 2.77Å; N676-I679 HydrophobicContact CB-CD1 4.33Å; N676-I679 HydrophobicContact CB-CG1 3.9Å; N676-I679 PolarHBondContact OD1-N 2.89Å; N676-K680 VanDerWaalsContact O-CA 3.22Å; N676-K680 WeakPolarHBondContact O-CA 3.46Å; N676-K680 PolarHBondContact O-N 3.14Å; N676-R681 PolarHBondContact N-O 3.45Å; N676-R681 PolarHBondContact O-N 2.79Å; N676-R681 VanDerWaalsContact O-N 3.08Å
677W89.9Confident93.3Very high92 Ų9265.2 Ų65.235%0.34830%0.304SS..THydrogen-bonded Turntrans-68.7-24.2-176.5-57.3115000113.7V675 K701 W736V675-W677 HydrophobicContact CB-CD2 4.01Å; V675-W677 HydrophobicContact CB-CE3 4.05Å; V675-W677 HydrophobicContact CB-CH2 3.7Å; V675-W677 HydrophobicContact CB-CZ2 3.7Å; V675-W677 HydrophobicContact CB-CZ3 3.91Å; V675-W677 HydrophobicContact CG1-CD2 3.75Å; V675-W677 HydrophobicContact CG1-CE3 3.44Å; V675-W677 VanDerWaalsContact CG1-CE3 3.44Å; V675-W677 HydrophobicContact CG1-CG 4.49Å; V675-W677 HydrophobicContact CG1-CH2 3.86Å; V675-W677 HydrophobicContact CG1-CZ2 4.19Å; V675-W677 HydrophobicContact CG1-CZ3 3.5Å; V675-W677 HydrophobicContact CG2-CH2 3.76Å; V675-W677 HydrophobicContact CG2-CZ2 4.08Å; V675-W677 HydrophobicContact CG2-CZ3 4.18Å; V675-W677 PolarHBondContact O-N 3.09Å; W677-K701 HydrophobicContact CH2-CB 4.06Å; W677-K701 HydrophobicContact CH2-CD 3.8Å; W677-K701 HydrophobicContact CH2-CG 4.47Å; W677-K701 HydrophobicContact CZ3-CB 4.06Å; W677-W736 PolarHBondContact NE1-O 2.93Å
678E89.8Confident93Very high169 Ų16972.5 Ų72.579%0.7934%0.338SS*.THydrogen-bonded Turntrans-71.4-45.3-178.7-59.4-169.6152.200111.6N676N676-E678 VanDerWaalsContact C-N 3.29Å; N676-E678 PolarHBondContact O-N 3.45Å; N676-E678 WeakPolarHBondContact OD1-CB 3.33Å; N676-E678 PolarHBondContact OD1-N 2.77Å
679I91.3Very high93Very high89 Ų8970.6 Ų70.646%0.45632%0.319SS..THydrogen-bonded Turntrans-99.21.1178.665.5178.5000112.8N676 R681N676-I679 HydrophobicContact CB-CD1 4.33Å; N676-I679 HydrophobicContact CB-CG1 3.9Å; N676-I679 PolarHBondContact OD1-N 2.89Å; I679-R681 HydrophobicContact CD1-CB 4.24Å; I679-R681 HydrophobicContact CD1-CG 4.16Å; I679-R681 HydrophobicContact CG1-CB 4.05Å; I679-R681 HydrophobicContact CG1-CG 3.98Å; I679-R681 PolarHBondContact O-N 3.3Å
680K91.7Very high93.1Very high89 Ų8973.3 Ų73.339%0.38733%0.331SS..THydrogen-bonded Turntrans50.754.6-178.1-57.9-173.1179.8-171.50112.4N676 C700N676-K680 VanDerWaalsContact O-CA 3.22Å; N676-K680 WeakPolarHBondContact O-CA 3.46Å; N676-K680 PolarHBondContact O-N 3.14Å; K680-C700 PolarHBondContact O-SG 3.41Å
681R94.6Very high93.1Very high80 Ų8072.6 Ų72.630%0.30233%0.328SS..EExtended strand (participates in β ladder)trans-124.5141.5177.5-68.9-172.4-178.7-176-2.3111.7V675 N676 I679 E692 F693V675-R681 CarbonylContact C-O 3.55Å; V675-R681 WeakPolarHBondContact CA-O 3.42Å; N676-R681 PolarHBondContact N-O 3.45Å; N676-R681 PolarHBondContact O-N 2.79Å; N676-R681 VanDerWaalsContact O-N 3.08Å; I679-R681 HydrophobicContact CD1-CB 4.24Å; I679-R681 HydrophobicContact CD1-CG 4.16Å; I679-R681 HydrophobicContact CG1-CB 4.05Å; I679-R681 HydrophobicContact CG1-CG 3.98Å; I679-R681 PolarHBondContact O-N 3.3Å; R681-E692 HydrophobicContact CB-CG 4.35Å; R681-E692 WeakPolarHBondContact CD-OE1 3.43Å; R681-E692 IonicContact CZ-OE1 2.78Å; R681-E692 IonicContact NE-OE1 3.94Å; R681-E692 IonicContact NH1-OE1 3.49Å; R681-E692 PolarHBondContact NH1-OE1 2.94Å; R681-E692 IonicContact NH1-OE2 3.08Å; R681-F693 CarbonylContact C-O 3.55Å; R681-F693 WeakPolarHBondContact CA-O 3.48Å
682L95.6Very high93.1Very high0 Ų069 Ų690%031%0.313CS..EExtended strand (participates in β ladder)trans-90.4127.2170.3-168.776000108.5V675 I684 E692 F693 H704 I707V675-L682 HydrophobicContact CG2-CD1 3.44Å; V675-L682 VanDerWaalsContact CG2-CD1 3.44Å; L682-I684 HydrophobicContact CD2-CD1 3.79Å; L682-I684 HydrophobicContact CD2-CG1 4.02Å; L682-I684 HydrophobicContact CG-CD1 4.43Å; L682-I684 HydrophobicContact CG-CG1 4.11Å; L682-E692 WeakPolarHBondContact O-CA 3.17Å; L682-F693 HydrophobicContact CB-CD2 4.49Å; L682-F693 HydrophobicContact CB-CE1 4.45Å; L682-F693 HydrophobicContact CB-CE2 4.06Å; L682-F693 HydrophobicContact CB-CZ 4.05Å; L682-F693 HydrophobicContact CD2-CE1 3.95Å; L682-F693 HydrophobicContact CD2-CE2 4.02Å; L682-F693 HydrophobicContact CD2-CZ 3.36Å; L682-F693 HydrophobicContact CG-CZ 4.28Å; L682-F693 PolarHBondContact N-O 3.22Å; L682-F693 PolarHBondContact O-N 3.4Å; L682-H704 HydrophobicContact CD1-CB 3.89Å; L682-I707 HydrophobicContact CD2-CD1 3.84Å
683F95.7Very high93.3Very high44 Ų4462.8 Ų62.819%0.19329%0.29CS..EExtended strand (participates in β ladder)trans-112.3129.5173.5178.8-90.2000109.3W673 H674 Q685 D690 E692W673-F683 CarbonylContact C-O 3.56Å; W673-F683 VanDerWaalsContact CA-O 3.23Å; W673-F683 WeakPolarHBondContact CA-O 3.22Å; H674-F683 AromaticContact CE1-CD1 3.32Å; H674-F683 WeakPolarHBondContact CE1-CD1 3.08Å; H674-F683 AromaticContact CE1-CG 3.81Å; H674-F683 PolarHBondContact N-O 3.12Å; H674-F683 AromaticContact ND1-CD1 3.73Å; H674-F683 PolarHBondContact O-N 3.09Å; F683-Q685 HydrophobicContact CE1-CB 3.89Å; F683-Q685 HydrophobicContact CZ-CB 4.42Å; F683-D690 HydrophobicContact CE2-CB 3.83Å; F683-D690 HydrophobicContact CZ-CB 3.8Å; F683-E692 HydrophobicContact CD2-CB 4.24Å; F683-E692 HydrophobicContact CD2-CG 4.39Å
684I96.2Very high93.3Very high1 Ų161.5 Ų61.51%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-130.2123.9-179.3-47.3-178.2000108.2I651 M670 W673 L682 F686 V691 F693 I707I651-I684 HydrophobicContact CD1-CD1 3.29Å; M670-I684 HydrophobicContact CE-CG2 3.75Å; M670-I684 HydrophobicContact CG-CG2 3.75Å; M670-I684 HydrophobicContact SD-CG2 3.8Å; W673-I684 HydrophobicContact CB-CB 4.37Å; W673-I684 HydrophobicContact CB-CG1 4.07Å; W673-I684 HydrophobicContact CB-CG2 4.18Å; L682-I684 HydrophobicContact CD2-CD1 3.79Å; L682-I684 HydrophobicContact CD2-CG1 4.02Å; L682-I684 HydrophobicContact CG-CD1 4.43Å; L682-I684 HydrophobicContact CG-CG1 4.11Å; I684-F686 HydrophobicContact CB-CE2 3.92Å; I684-F686 HydrophobicContact CB-CZ 4.38Å; I684-F686 HydrophobicContact CG2-CD2 4Å; I684-F686 HydrophobicContact CG2-CE1 4.12Å; I684-F686 HydrophobicContact CG2-CE2 3.35Å; I684-F686 HydrophobicContact CG2-CZ 3.42Å; I684-F686 VanDerWaalsContact CG2-CZ 3.42Å; I684-V691 HydrophobicContact CB-CB 4.46Å; I684-V691 PolarHBondContact N-O 3.19Å; I684-V691 PolarHBondContact O-N 2.91Å; I684-F693 HydrophobicContact CD1-CE1 4.11Å; I684-I707 HydrophobicContact CD1-CD1 3.83Å
685Q96Very high93.4Very high48 Ų4859.2 Ų59.222%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-103115177.3172.2158.457.500109.5K671 R672 F683 D690K671-Q685 HydrophobicContact CB-CG 4.17Å; K671-Q685 HydrophobicContact CD-CG 4.14Å; K671-Q685 PolarHBondContact N-O 3.09Å; R672-Q685 HydrophobicContact CG-CB 3.94Å; R672-Q685 PolarHBondContact N-O 3.02Å; R672-Q685 PolarHBondContact O-N 2.76Å; F683-Q685 HydrophobicContact CE1-CB 3.89Å; F683-Q685 HydrophobicContact CZ-CB 4.42Å; Q685-D690 WeakPolarHBondContact CA-OD1 3.18Å; Q685-D690 WeakPolarHBondContact CB-OD1 3.38Å; Q685-D690 WeakPolarHBondContact CG-OD1 3.4Å; Q685-D690 PolarHBondContact NE2-OD1 2.92Å
686F93.9Very high93.5Very high6 Ų662.3 Ų62.33%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-97175.6170.2-61.4-84.2000110.7I651 W665 S669 M670 I684 E688 E689 V691I651-F686 HydrophobicContact CD1-CZ 4.25Å; W665-F686 HydrophobicContact CB-CD1 3.95Å; W665-F686 HydrophobicContact CB-CD2 4.19Å; W665-F686 HydrophobicContact CB-CE1 3.44Å; W665-F686 VanDerWaalsContact CB-CE1 3.44Å; W665-F686 HydrophobicContact CB-CE2 3.68Å; W665-F686 HydrophobicContact CB-CG 4.31Å; W665-F686 HydrophobicContact CB-CZ 3.27Å; W665-F686 AromaticContact CD1-CD2 3.79Å; W665-F686 AromaticContact CD1-CE2 3.92Å; W665-F686 HydrophobicContact CD2-CE2 4.25Å; W665-F686 HydrophobicContact CG-CD2 4.04Å; W665-F686 HydrophobicContact CG-CE1 4.29Å; W665-F686 AromaticContact CG-CE2 3.69Å; W665-F686 HydrophobicContact CG-CE2 3.69Å; W665-F686 HydrophobicContact CG-CG 4.46Å; W665-F686 AromaticContact CG-CZ 3.83Å; W665-F686 HydrophobicContact CG-CZ 3.83Å; S669-F686 CarbonylContact O-C 3.43Å; S669-F686 VanDerWaalsContact O-CA 3.23Å; S669-F686 WeakPolarHBondContact O-CA 3.39Å; M670-F686 HydrophobicContact CB-CD1 3.89Å; M670-F686 HydrophobicContact CB-CE1 3.78Å; M670-F686 HydrophobicContact CE-CE1 3.78Å; M670-F686 HydrophobicContact CE-CZ 3.89Å; M670-F686 HydrophobicContact CG-CD1 4.29Å; M670-F686 HydrophobicContact CG-CE1 4.03Å; I684-F686 HydrophobicContact CB-CE2 3.92Å; I684-F686 HydrophobicContact CB-CZ 4.38Å; I684-F686 HydrophobicContact CG2-CD2 4Å; I684-F686 HydrophobicContact CG2-CE1 4.12Å; I684-F686 HydrophobicContact CG2-CE2 3.35Å; I684-F686 HydrophobicContact CG2-CZ 3.42Å; I684-F686 VanDerWaalsContact CG2-CZ 3.42Å; F686-E688 VanDerWaalsContact C-N 3.33Å; F686-E689 WeakPolarHBondContact CA-O 3.4Å; F686-E689 VanDerWaalsContact CB-O 3.31Å; F686-E689 WeakPolarHBondContact CB-O 3.33Å; F686-E689 PolarHBondContact N-O 3.36Å; F686-V691 HydrophobicContact CD2-CG2 3.88Å; F686-V691 HydrophobicContact CE2-CB 4.19Å; F686-V691 HydrophobicContact CE2-CG2 3.82Å
687E91.5Very high93.7Very high123 Ų12360.3 Ų60.358%0.57529%0.286SS*.SBendtrans-61.7-40.6175.3-76.7173.1177.900113.3S669 K671S669-E687 PolarHBondContact O-N 3.16Å; K671-E687 HydrophobicContact CG-CG 4.44Å
688E86.2Confident93.9Very high177 Ų17756.5 Ų56.583%0.82727%0.274SS*.SBendtrans-97.1-31.7-171.8-60.5178.2179.900113.5F686F686-E688 VanDerWaalsContact C-N 3.33Å
689E90.6Very high94Very high67 Ų6752.1 Ų52.131%0.31326%0.256SS..  trans-154.9159.4-178.469.7-177.2-176.200113K663 W665 F686 V691K663-E689 WeakPolarHBondContact CD-OE1 3.1Å; K663-E689 WeakPolarHBondContact CE-OE1 3.43Å; K663-E689 IonicContact NZ-OE1 2.86Å; K663-E689 PolarHBondContact NZ-OE1 3.04Å; K663-E689 IonicContact NZ-OE2 3.76Å; K663-E689 PolarHBondContact NZ-OE2 3.37Å; W665-E689 VanDerWaalsContact CE2-OE1 3.27Å; W665-E689 WeakPolarHBondContact CZ2-OE1 3.28Å; W665-E689 PolarHBondContact NE1-OE1 3.45Å; F686-E689 WeakPolarHBondContact CA-O 3.4Å; F686-E689 VanDerWaalsContact CB-O 3.31Å; F686-E689 WeakPolarHBondContact CB-O 3.33Å; F686-E689 PolarHBondContact N-O 3.36Å; E689-V691 HydrophobicContact CG-CG2 4.28Å
690D93.8Very high94.1Very high87 Ų8748.1 Ų48.147%0.46524%0.236SC..EExtended strand (participates in β ladder)trans-98135.9171.2-66.8-21.6000109.7F683 Q685F683-D690 HydrophobicContact CE2-CB 3.83Å; F683-D690 HydrophobicContact CZ-CB 3.8Å; Q685-D690 WeakPolarHBondContact CA-OD1 3.18Å; Q685-D690 WeakPolarHBondContact CB-OD1 3.38Å; Q685-D690 WeakPolarHBondContact CG-OD1 3.4Å; Q685-D690 PolarHBondContact NE2-OD1 2.92Å
691V94.5Very high94.2Very high11 Ų1144.5 Ų44.57%0.06722%0.22CC..EExtended strand (participates in β ladder)trans-118.7125.3-178.7179.70000109.1F635 W665 I684 F686 E689 F693F635-V691 HydrophobicContact CD1-CG1 4.31Å; F635-V691 HydrophobicContact CE1-CG1 3.81Å; W665-V691 HydrophobicContact CD2-CG2 4.22Å; W665-V691 HydrophobicContact CH2-CG1 4.26Å; W665-V691 HydrophobicContact CH2-CG2 4.24Å; W665-V691 HydrophobicContact CZ2-CG1 4.45Å; W665-V691 HydrophobicContact CZ2-CG2 3.64Å; I684-V691 HydrophobicContact CB-CB 4.46Å; I684-V691 PolarHBondContact N-O 3.19Å; I684-V691 PolarHBondContact O-N 2.91Å; F686-V691 HydrophobicContact CD2-CG2 3.88Å; F686-V691 HydrophobicContact CE2-CB 4.19Å; F686-V691 HydrophobicContact CE2-CG2 3.82Å; E689-V691 HydrophobicContact CG-CG2 4.28Å; V691-F693 HydrophobicContact CG1-CD1 4.11Å; V691-F693 HydrophobicContact CG1-CE1 4.48Å
692E95.9Very high94.3Very high54 Ų5441.2 Ų41.225%0.25221%0.209SC..EExtended strand (participates in β ladder)trans-131.6129.4179.2-168.2-161.4163.300110.8S636 R681 L682 F683S636-E692 PolarHBondContact N-O 3.27Å; R681-E692 HydrophobicContact CB-CG 4.35Å; R681-E692 WeakPolarHBondContact CD-OE1 3.43Å; R681-E692 IonicContact CZ-OE1 2.78Å; R681-E692 IonicContact NE-OE1 3.94Å; R681-E692 IonicContact NH1-OE1 3.49Å; R681-E692 PolarHBondContact NH1-OE1 2.94Å; R681-E692 IonicContact NH1-OE2 3.08Å; L682-E692 WeakPolarHBondContact O-CA 3.17Å; F683-E692 HydrophobicContact CD2-CB 4.24Å; F683-E692 HydrophobicContact CD2-CG 4.39Å
693F96.8Very high94.4Very high1 Ų141.2 Ų41.20%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-150.2159176.362.3-94.7000113.1V633 R634 F635 I644 R681 L682 I684 V691V633-F693 HydrophobicContact CB-CB 4.24Å; V633-F693 HydrophobicContact CB-CD2 3.83Å; V633-F693 HydrophobicContact CB-CG 4.26Å; V633-F693 HydrophobicContact CG1-CD2 3.55Å; V633-F693 HydrophobicContact CG1-CE2 3.81Å; V633-F693 HydrophobicContact CG1-CG 4.34Å; V633-F693 HydrophobicContact CG2-CB 4.35Å; V633-F693 HydrophobicContact CG2-CD2 4.47Å; V633-F693 HydrophobicContact CG2-CG 4.47Å; R634-F693 WeakPolarHBondContact O-CA 3.44Å; F635-F693 HydrophobicContact CD1-CB 3.9Å; F635-F693 HydrophobicContact CD1-CD1 4.47Å; F635-F693 HydrophobicContact CE1-CB 4.21Å; F635-F693 HydrophobicContact CE1-CD1 4.07Å; F635-F693 HydrophobicContact CE1-CG 4.49Å; F635-F693 HydrophobicContact CG-CB 4.35Å; I644-F693 HydrophobicContact CD1-CE1 3.89Å; I644-F693 HydrophobicContact CD1-CE2 3.69Å; I644-F693 HydrophobicContact CD1-CZ 3.24Å; R681-F693 CarbonylContact C-O 3.55Å; R681-F693 WeakPolarHBondContact CA-O 3.48Å; L682-F693 HydrophobicContact CB-CD2 4.49Å; L682-F693 HydrophobicContact CB-CE1 4.45Å; L682-F693 HydrophobicContact CB-CE2 4.06Å; L682-F693 HydrophobicContact CB-CZ 4.05Å; L682-F693 HydrophobicContact CD2-CE1 3.95Å; L682-F693 HydrophobicContact CD2-CE2 4.02Å; L682-F693 HydrophobicContact CD2-CZ 3.36Å; L682-F693 HydrophobicContact CG-CZ 4.28Å; L682-F693 PolarHBondContact N-O 3.22Å; L682-F693 PolarHBondContact O-N 3.4Å; I684-F693 HydrophobicContact CD1-CE1 4.11Å; V691-F693 HydrophobicContact CG1-CD1 4.11Å; V691-F693 HydrophobicContact CG1-CE1 4.48Å
694S96.2Very high94.4Very high21 Ų2139.3 Ų39.315%0.14720%0.201CC..EExtended strand (participates in β ladder)trans-101.2137.5166.151.90000109.9V633 R634V633-S694 CarbonylContact C-O 3.48Å; V633-S694 WeakPolarHBondContact CA-O 3.49Å; V633-S694 VanDerWaalsContact CB-O 3.3Å; V633-S694 WeakPolarHBondContact CB-O 3.29Å; R634-S694 PolarHBondContact N-O 2.83Å; R634-S694 PolarHBondContact O-N 3.18Å; R634-S694 PolarHBondContact O-OG 3.05Å
695C96Very high94.4Very high16 Ų1639.4 Ų39.411%0.10820%0.201CC..EExtended strand (participates in β ladder)trans-84.7128.3173.6-166.70000109.9A698 C700 P703C695-A698 VanDerWaalsContact CB-O 3.31Å; C695-A698 WeakPolarHBondContact CB-O 3.37Å; C695-A698 PolarHBondContact SG-O 3.4Å; C695-C700 PolarHBondContact N-SG 3.45Å; C695-P703 HydrophobicContact CB-CG 4.31Å
696L95.9Very high94.5Very high74 Ų7437.1 Ų37.139%0.38719%0.19SC..SBendtrans-101.4-24.5-179.2-55.8-177000112.6V632 R634 P641V632-L696 HydrophobicContact CG1-CB 4.32Å; V632-L696 HydrophobicContact CG1-CD1 4.32Å; V632-L696 PolarHBondContact O-N 3.06Å; R634-L696 HydrophobicContact CB-CD1 4.18Å; R634-L696 HydrophobicContact CB-CD2 4.49Å; R634-L696 HydrophobicContact CB-CG 4.46Å; P641-L696 HydrophobicContact CB-CD1 4.07Å; P641-L696 HydrophobicContact CG-CD1 4.18Å
697S94.5Very high94.7Very high17 Ų1736.8 Ų36.812%0.11919%0.189CC..SBendtrans-90.8-20.1-177.451.50000114F631 V632F631-S697 WeakPolarHBondContact CA-OG 3.42Å; V632-S697 PolarHBondContact N-OG 3.09Å; V632-S697 PolarHBondContact O-N 3.07Å; V632-S697 PolarHBondContact O-OG 3.15Å
698A94.4Very high94.9Very high13 Ų1331 Ų3111%0.10716%0.161CC..SBendtrans-152.5169179.100000110.1F631 C695 V702F631-A698 HydrophobicContact CD1-CB 4.32Å; F631-A698 HydrophobicContact CE1-CB 4.36Å; C695-A698 VanDerWaalsContact CB-O 3.31Å; C695-A698 WeakPolarHBondContact CB-O 3.37Å; C695-A698 PolarHBondContact SG-O 3.4Å; A698-V702 HydrophobicContact CB-CB 4.12Å; A698-V702 HydrophobicContact CB-CG2 4.12Å
699D92.8Very high95.4Very high77 Ų7722.5 Ų22.541%0.41212%0.122SC..  trans-61.8142.8168.9-168.9-76.7000110.1K701 V702 P703D699-K701 PolarHBondContact O-N 2.89Å; D699-K701 VanDerWaalsContact O-N 3.08Å; D699-K701 WeakPolarHBondContact OD1-CB 3.3Å; D699-K701 PolarHBondContact OD1-N 2.98Å; D699-V702 WeakPolarHBondContact O-CB 3.48Å; D699-V702 PolarHBondContact O-N 3.12Å; D699-P703 WeakPolarHBondContact O-CD 3.45Å
700C93.7Very high95.7Very high4 Ų419.4 Ų19.43%0.02711%0.107CC..THydrogen-bonded Turntrans-59.3-20.3179.5-73.10000113.6V675 K680 C695 V702 P703 H704V675-C700 HydrophobicContact CG1-CB 3.99Å; K680-C700 PolarHBondContact O-SG 3.41Å; C695-C700 PolarHBondContact N-SG 3.45Å; C700-V702 VanDerWaalsContact C-N 3.27Å; C700-V702 PolarHBondContact O-N 3.26Å; C700-P703 WeakPolarHBondContact O-CD 3.43Å; C700-P703 WeakPolarHBondContact O-CG 3.37Å; C700-H704 WeakPolarHBondContact O-CB 3.48Å; C700-H704 PolarHBondContact O-N 3.38Å
701K93.9Very high95.7Very high14 Ų1416.6 Ų16.66%0.0619%0.092CC..Hα-helixtrans-57.5-37169179.959.2169.51670112.8D311 W677 D699 H704 E705 T733 G734D311-K701 WeakPolarHBondContact OD1-CE 3.33Å; D311-K701 IonicContact OD1-NZ 2.78Å; D311-K701 PolarHBondContact OD1-NZ 3.35Å; D311-K701 WeakPolarHBondContact OD2-CE 3.23Å; W677-K701 HydrophobicContact CH2-CB 4.06Å; W677-K701 HydrophobicContact CH2-CD 3.8Å; W677-K701 HydrophobicContact CH2-CG 4.47Å; W677-K701 HydrophobicContact CZ3-CB 4.06Å; D699-K701 PolarHBondContact O-N 2.89Å; D699-K701 VanDerWaalsContact O-N 3.08Å; D699-K701 WeakPolarHBondContact OD1-CB 3.3Å; D699-K701 PolarHBondContact OD1-N 2.98Å; K701-H704 WeakPolarHBondContact O-CB 3.46Å; K701-H704 PolarHBondContact O-N 3.31Å; K701-E705 HydrophobicContact CD-CG 4.16Å; K701-E705 WeakPolarHBondContact CE-OE1 3.47Å; K701-E705 IonicContact NZ-OE1 3.88Å; K701-E705 PolarHBondContact NZ-OE1 3.46Å; K701-E705 WeakPolarHBondContact O-CG 3.26Å; K701-E705 PolarHBondContact O-N 3.1Å; K701-T733 PolarHBondContact NZ-O 2.8Å; K701-G734 VanDerWaalsContact NZ-C 3.29Å; K701-G734 VanDerWaalsContact NZ-CA 3.33Å; K701-G734 PolarHBondContact NZ-O 3.14Å
702V96.1Very high95.7Very high10 Ų1016.7 Ų16.76%0.0619%0.092CC..Hα-helixtrans-64.2-58-177.8-178.60000112.3W309 F631 A698 D699 C700 H704 E705 F706W309-V702 HydrophobicContact CB-CG1 4.24Å; W309-V702 HydrophobicContact CB-CG2 4.46Å; W309-V702 HydrophobicContact CG-CG1 4.44Å; F631-V702 HydrophobicContact CE1-CB 4.36Å; F631-V702 HydrophobicContact CE1-CG1 3.77Å; F631-V702 HydrophobicContact CZ-CG1 4.11Å; A698-V702 HydrophobicContact CB-CB 4.12Å; A698-V702 HydrophobicContact CB-CG2 4.12Å; D699-V702 WeakPolarHBondContact O-CB 3.48Å; D699-V702 PolarHBondContact O-N 3.12Å; C700-V702 VanDerWaalsContact C-N 3.27Å; C700-V702 PolarHBondContact O-N 3.26Å; V702-H704 PolarHBondContact O-N 3.2Å; V702-E705 PolarHBondContact O-N 2.94Å; V702-E705 VanDerWaalsContact O-N 3.13Å; V702-F706 HydrophobicContact CG1-CD2 3.91Å; V702-F706 HydrophobicContact CG1-CE2 3.7Å; V702-F706 VanDerWaalsContact O-CD2 3.3Å; V702-F706 WeakPolarHBondContact O-CD2 3.26Å; V702-F706 PolarHBondContact O-N 3.2Å
703P97.1Very high95.5Very high0 Ų014.9 Ų14.90%09%0.085CC..Hα-helixtrans-62.7-31.4176.524.5-32.9000112.5F631 I646 C695 D699 C700 F706 I707F631-P703 HydrophobicContact CD1-CB 4.43Å; F631-P703 HydrophobicContact CD2-CB 4.26Å; F631-P703 HydrophobicContact CE1-CB 4.33Å; F631-P703 HydrophobicContact CE2-CB 4.18Å; F631-P703 HydrophobicContact CG-CB 4.41Å; F631-P703 HydrophobicContact CZ-CB 4.22Å; I646-P703 HydrophobicContact CD1-CB 3.54Å; C695-P703 HydrophobicContact CB-CG 4.31Å; D699-P703 WeakPolarHBondContact O-CD 3.45Å; C700-P703 WeakPolarHBondContact O-CD 3.43Å; C700-P703 WeakPolarHBondContact O-CG 3.37Å; P703-F706 PolarHBondContact O-N 3.28Å; P703-I707 WeakPolarHBondContact O-CG1 3.3Å; P703-I707 PolarHBondContact O-N 2.66Å; P703-I707 VanDerWaalsContact O-N 3.1Å
704H96.4Very high95.1Very high5 Ų518.7 Ų18.72%0.02311%0.111CC..Hα-helixtrans-59.2-45.7171.9174.280.4000112.1W673 V675 L682 C700 K701 V702 I707 G708 L732 T733 G735W673-H704 AromaticContact CD1-CE1 3.57Å; W673-H704 AromaticContact CD1-ND1 3.21Å; W673-H704 AromaticContact NE1-CE1 3.16Å; W673-H704 PolarHBondContact NE1-CE1 2.66Å; W673-H704 AromaticContact NE1-ND1 3.18Å; W673-H704 PolarHBondContact NE1-ND1 2.98Å; W673-H704 VanDerWaalsContact NE1-ND1 3.18Å; V675-H704 HydrophobicContact CG2-CB 3.71Å; L682-H704 HydrophobicContact CD1-CB 3.89Å; C700-H704 WeakPolarHBondContact O-CB 3.48Å; C700-H704 PolarHBondContact O-N 3.38Å; K701-H704 WeakPolarHBondContact O-CB 3.46Å; K701-H704 PolarHBondContact O-N 3.31Å; V702-H704 PolarHBondContact O-N 3.2Å; H704-I707 PolarHBondContact O-N 3.05Å; H704-G708 PolarHBondContact O-N 2.98Å; H704-L732 PolarHBondContact NE2-O 3.28Å; H704-T733 PolarHBondContact CD2-O 2.96Å; H704-T733 PolarHBondContact NE2-O 3.24Å; H704-G735 WeakPolarHBondContact NE2-CA 3.4Å; H704-G735 PolarHBondContact NE2-N 3.11Å; H704-G735 VanDerWaalsContact NE2-N 3.15Å
705E97Very high94.6Very high2 Ų222.4 Ų22.41%0.00913%0.128CC..Hα-helixtrans-66.9-35.6175.7-73.9-165.2171.300112.9S312 K332 F333 K701 V702 I707 G708 G709S312-E705 PolarHBondContact N-OE1 3.26Å; S312-E705 PolarHBondContact OG-OE1 3.1Å; S312-E705 PolarHBondContact OG-OE2 3.44Å; K332-E705 IonicContact NZ-OE2 3.98Å; K332-E705 PolarHBondContact NZ-OE2 3.3Å; F333-E705 WeakPolarHBondContact CE1-O 3.27Å; K701-E705 HydrophobicContact CD-CG 4.16Å; K701-E705 WeakPolarHBondContact CE-OE1 3.47Å; K701-E705 IonicContact NZ-OE1 3.88Å; K701-E705 PolarHBondContact NZ-OE1 3.46Å; K701-E705 WeakPolarHBondContact O-CG 3.26Å; K701-E705 PolarHBondContact O-N 3.1Å; V702-E705 PolarHBondContact O-N 2.94Å; V702-E705 VanDerWaalsContact O-N 3.13Å; E705-I707 VanDerWaalsContact C-N 3.34Å; E705-I707 PolarHBondContact O-N 3.1Å; E705-G708 PolarHBondContact O-N 2.96Å; E705-G709 PolarHBondContact O-N 3.06Å
706F97.9Very high93.7Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-59.2-46.2173.7-87.3-75000111.7W309 K332 F333 H629 F631 I646 V702 P703 Y710W309-F706 AromaticContact CD1-CE2 3.78Å; W309-F706 AromaticContact CD1-CZ 3.98Å; W309-F706 AromaticContact NE1-CE2 3.83Å; W309-F706 AromaticContact NE1-CZ 3.54Å; K332-F706 HydrophobicContact CG-CE1 3.82Å; K332-F706 HydrophobicContact CG-CZ 3.91Å; K332-F706 WeakPolarHBondContact O-CE1 3.34Å; F333-F706 HydrophobicContact CE1-CD1 4.47Å; H629-F706 HydrophobicContact CB-CD1 4.34Å; H629-F706 HydrophobicContact CB-CE1 4.14Å; H629-F706 HydrophobicContact CB-CZ 4.26Å; H629-F706 AromaticContact CD2-CD1 3.62Å; H629-F706 AromaticContact CD2-CE1 3.4Å; H629-F706 VanDerWaalsContact CD2-CE1 3.4Å; H629-F706 WeakPolarHBondContact CD2-CE1 3.35Å; H629-F706 AromaticContact CE1-CE1 3.46Å; H629-F706 VanDerWaalsContact CE1-CE1 3.46Å; H629-F706 WeakPolarHBondContact CE1-CE1 3.15Å; H629-F706 AromaticContact CE1-CZ 3.98Å; H629-F706 AromaticContact CG-CD1 3.86Å; H629-F706 AromaticContact CG-CE1 3.39Å; H629-F706 AromaticContact CG-CZ 3.79Å; H629-F706 AromaticContact ND1-CE1 3.46Å; H629-F706 WeakPolarHBondContact ND1-CE1 3.43Å; H629-F706 AromaticContact ND1-CZ 3.62Å; H629-F706 AromaticContact NE2-CD1 3.97Å; H629-F706 AromaticContact NE2-CE1 3.42Å; H629-F706 WeakPolarHBondContact NE2-CE1 3.43Å; F631-F706 HydrophobicContact CE2-CD2 4.2Å; F631-F706 AromaticContact CZ-CD2 3.53Å; F631-F706 HydrophobicContact CZ-CD2 3.53Å; F631-F706 AromaticContact CZ-CE2 3.7Å; F631-F706 HydrophobicContact CZ-CE2 3.7Å; F631-F706 HydrophobicContact CZ-CG 4.42Å; I646-F706 HydrophobicContact CD1-CB 4.18Å; I646-F706 HydrophobicContact CG2-CB 4.07Å; V702-F706 HydrophobicContact CG1-CD2 3.91Å; V702-F706 HydrophobicContact CG1-CE2 3.7Å; V702-F706 VanDerWaalsContact O-CD2 3.3Å; V702-F706 WeakPolarHBondContact O-CD2 3.26Å; V702-F706 PolarHBondContact O-N 3.2Å; P703-F706 PolarHBondContact O-N 3.28Å; F706-Y710 HydrophobicContact CD1-CD2 4.5Å; F706-Y710 HydrophobicContact CD1-CE2 4.03Å; F706-Y710 VanDerWaalsContact O-CB 3.32Å; F706-Y710 WeakPolarHBondContact O-CB 3.36Å; F706-Y710 WeakPolarHBondContact O-CD2 3.15Å; F706-Y710 PolarHBondContact O-N 2.76Å
707I97.5Very high92.4Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-62-53.4176.5-63.6164.8000110.2I646 I651 F667 M670 W673 L682 I684 P703 H704 E705 G709 Y710 I711I646-I707 HydrophobicContact CD1-CD1 4.49Å; I646-I707 HydrophobicContact CD1-CG1 4.18Å; I646-I707 HydrophobicContact CG2-CG1 4.3Å; I651-I707 HydrophobicContact CD1-CD1 3.76Å; I651-I707 HydrophobicContact CD1-CG1 4.17Å; F667-I707 HydrophobicContact CE1-CG1 4.37Å; F667-I707 HydrophobicContact CE1-CG2 4.25Å; F667-I707 HydrophobicContact CZ-CB 4.35Å; F667-I707 HydrophobicContact CZ-CG1 4.24Å; F667-I707 HydrophobicContact CZ-CG2 4.14Å; M670-I707 HydrophobicContact CE-CG2 4.04Å; M670-I707 HydrophobicContact SD-CG2 4.11Å; W673-I707 HydrophobicContact CD2-CG2 3.83Å; W673-I707 HydrophobicContact CE3-CG2 4.3Å; W673-I707 HydrophobicContact CG-CG2 4.16Å; W673-I707 HydrophobicContact CZ2-CG2 4.13Å; L682-I707 HydrophobicContact CD2-CD1 3.84Å; I684-I707 HydrophobicContact CD1-CD1 3.83Å; P703-I707 WeakPolarHBondContact O-CG1 3.3Å; P703-I707 PolarHBondContact O-N 2.66Å; P703-I707 VanDerWaalsContact O-N 3.1Å; H704-I707 PolarHBondContact O-N 3.05Å; E705-I707 VanDerWaalsContact C-N 3.34Å; E705-I707 PolarHBondContact O-N 3.1Å; I707-G709 PolarHBondContact O-N 3.27Å; I707-Y710 PolarHBondContact O-N 3.22Å; I707-I711 HydrophobicContact CG2-CD1 3.8Å; I707-I711 VanDerWaalsContact O-CG1 3.3Å; I707-I711 WeakPolarHBondContact O-CG1 3.37Å; I707-I711 PolarHBondContact O-N 3.32Å
708G96.3Very high90.9Very high0 Ų029.9 Ų29.90%016%0.158CC..Hα-helixtrans-63.4-41.9-176.100000113.7H704 E705 I711 F712H704-G708 PolarHBondContact O-N 2.98Å; E705-G708 PolarHBondContact O-N 2.96Å; G708-I711 PolarHBondContact O-N 2.98Å; G708-F712 WeakPolarHBondContact O-CB 3.41Å; G708-F712 PolarHBondContact O-N 2.83Å
709G96.3Very high89.2Confident0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-74.2-34.7-179.200000113.1F333 E705 I707 F712 C713F333-G709 VanDerWaalsContact CE1-CA 3.41Å; E705-G709 PolarHBondContact O-N 3.06Å; I707-G709 PolarHBondContact O-N 3.27Å; G709-F712 WeakPolarHBondContact O-CB 3.47Å; G709-F712 PolarHBondContact O-N 2.77Å; G709-C713 PolarHBondContact O-N 3.14Å; G709-C713 PolarHBondContact O-SG 3.21Å
710Y96.8Very high87.2Confident1 Ų139.6 Ų39.60%0.00420%0.202CC..Hα-helixtrans-66.5-39.8170.8-83.1-49.7000112.6F333 G627 H629 I646 F706 I707 F712 C713 S714F333-Y710 HydrophobicContact CB-CD1 4.03Å; F333-Y710 HydrophobicContact CB-CE1 3.92Å; F333-Y710 HydrophobicContact CD1-CD1 4.1Å; F333-Y710 HydrophobicContact CD1-CD2 4.48Å; F333-Y710 HydrophobicContact CD1-CE1 4.36Å; F333-Y710 HydrophobicContact CD1-CG 4.16Å; G627-Y710 PolarHBondContact O-OH 3.41Å; G627-Y710 VanDerWaalsContact O-OH 3.05Å; H629-Y710 AromaticContact CD2-CE2 3.73Å; H629-Y710 AromaticContact CD2-CZ 3.84Å; H629-Y710 PolarHBondContact CD2-OH 3.32Å; H629-Y710 AromaticContact NE2-CZ 3.73Å; H629-Y710 PolarHBondContact NE2-OH 2.99Å; I646-Y710 HydrophobicContact CG2-CD2 4.25Å; I646-Y710 HydrophobicContact CG2-CE2 4.43Å; F706-Y710 HydrophobicContact CD1-CD2 4.5Å; F706-Y710 HydrophobicContact CD1-CE2 4.03Å; F706-Y710 VanDerWaalsContact O-CB 3.32Å; F706-Y710 WeakPolarHBondContact O-CB 3.36Å; F706-Y710 WeakPolarHBondContact O-CD2 3.15Å; F706-Y710 PolarHBondContact O-N 2.76Å; I707-Y710 PolarHBondContact O-N 3.22Å; Y710-F712 VanDerWaalsContact C-N 3.32Å; Y710-C713 PolarHBondContact O-N 3.24Å; Y710-S714 WeakPolarHBondContact O-CB 3.42Å; Y710-S714 PolarHBondContact O-N 3.36Å
711I94.5Very high85.3Confident29 Ų2945.7 Ų45.715%0.14924%0.24CC..Hα-helixtrans-59.9-47.2172.2-70.5168000109.5F667 W673 I707 G708 C713 S714 M715 L732F667-I711 HydrophobicContact CD2-CD1 4.32Å; F667-I711 HydrophobicContact CD2-CG1 3.71Å; F667-I711 HydrophobicContact CE2-CG1 4.05Å; F667-I711 HydrophobicContact CG-CG1 4.42Å; W673-I711 HydrophobicContact CE3-CD1 4.23Å; W673-I711 HydrophobicContact CH2-CD1 3.34Å; W673-I711 HydrophobicContact CZ2-CD1 4.05Å; W673-I711 HydrophobicContact CZ3-CD1 3.44Å; W673-I711 VanDerWaalsContact CZ3-CD1 3.44Å; I707-I711 HydrophobicContact CG2-CD1 3.8Å; I707-I711 VanDerWaalsContact O-CG1 3.3Å; I707-I711 WeakPolarHBondContact O-CG1 3.37Å; I707-I711 PolarHBondContact O-N 3.32Å; G708-I711 PolarHBondContact O-N 2.98Å; I711-C713 PolarHBondContact O-N 3.27Å; I711-S714 PolarHBondContact O-N 2.87Å; I711-S714 VanDerWaalsContact O-N 3.13Å; I711-S714 PolarHBondContact O-OG 2.89Å; I711-M715 HydrophobicContact CG2-SD 4.32Å; I711-M715 WeakPolarHBondContact O-CG 3.37Å; I711-M715 PolarHBondContact O-N 3.43Å; I711-L732 HydrophobicContact CG2-CD1 4.24Å; I711-L732 HydrophobicContact CG2-CD2 4.3Å
712F93.8Very high83.7Confident12 Ų1249.7 Ų49.75%0.05326%0.259CS..Hα-helixtrans-56-49.6176.4-176.4-94.6000112.3E130 G708 G709 Y710 S714 M715 L724 N725 L728 F729 L732E130-F712 HydrophobicContact CB-CD1 4.2Å; E130-F712 HydrophobicContact CB-CE1 3.84Å; E130-F712 HydrophobicContact CG-CD1 4.23Å; E130-F712 HydrophobicContact CG-CE1 3.91Å; G708-F712 WeakPolarHBondContact O-CB 3.41Å; G708-F712 PolarHBondContact O-N 2.83Å; G709-F712 WeakPolarHBondContact O-CB 3.47Å; G709-F712 PolarHBondContact O-N 2.77Å; Y710-F712 VanDerWaalsContact C-N 3.32Å; F712-S714 VanDerWaalsContact C-N 3.25Å; F712-S714 PolarHBondContact O-N 3.47Å; F712-M715 WeakPolarHBondContact O-CB 3.35Å; F712-M715 PolarHBondContact O-N 3.47Å; F712-M715 VanDerWaalsContact O-N 3.07Å; F712-L724 HydrophobicContact CE1-CD1 3.74Å; F712-L724 HydrophobicContact CZ-CD1 3.73Å; F712-N725 HydrophobicContact CE2-CB 4.45Å; F712-N725 VanDerWaalsContact CE2-O 3.31Å; F712-N725 WeakPolarHBondContact CE2-O 3.45Å; F712-L728 HydrophobicContact CD2-CD2 4.24Å; F712-L728 HydrophobicContact CD2-CG 4.09Å; F712-L728 HydrophobicContact CE2-CB 4.18Å; F712-L728 HydrophobicContact CE2-CD2 4.2Å; F712-L728 HydrophobicContact CE2-CG 4.18Å; F712-F729 HydrophobicContact CB-CD2 4.31Å; F712-F729 AromaticContact CD1-CD2 3.72Å; F712-F729 HydrophobicContact CD1-CD2 3.72Å; F712-F729 HydrophobicContact CD1-CE2 4.49Å; F712-F729 HydrophobicContact CD2-CB 3.96Å; F712-F729 HydrophobicContact CD2-CD2 4.25Å; F712-F729 HydrophobicContact CE1-CB 4.47Å; F712-F729 HydrophobicContact CE1-CD2 4.03Å; F712-F729 HydrophobicContact CE2-CB 3.75Å; F712-F729 HydrophobicContact CG-CB 4.4Å; F712-F729 AromaticContact CG-CD2 3.83Å; F712-F729 HydrophobicContact CG-CD2 3.83Å; F712-F729 HydrophobicContact CZ-CB 4.02Å; F712-F729 HydrophobicContact CZ-CD2 4.42Å; F712-L732 HydrophobicContact CB-CD1 3.85Å; F712-L732 HydrophobicContact CD2-CD1 4.08Å; F712-L732 HydrophobicContact CG-CD1 4.49Å
713C92Very high82.7Confident17 Ų1754.8 Ų54.812%0.11529%0.293CS..Hα-helixtrans-61.9-34178.7-63.90000112.1C335 G709 Y710 I711 M715 R716C335-C713 WeakPolarHBondContact SG-CB 3.45Å; G709-C713 PolarHBondContact O-N 3.14Å; G709-C713 PolarHBondContact O-SG 3.21Å; Y710-C713 PolarHBondContact O-N 3.24Å; I711-C713 PolarHBondContact O-N 3.27Å; C713-M715 VanDerWaalsContact C-N 3.25Å; C713-M715 PolarHBondContact O-N 3.03Å; C713-R716 PolarHBondContact O-N 3.38Å
714S88.3Confident82.2Confident80 Ų8056.7 Ų56.756%0.55930%0.303SS*.Hα-helixtrans-70.6-1817778.30000114.4Y710 I711 F712 R716Y710-S714 WeakPolarHBondContact O-CB 3.42Å; Y710-S714 PolarHBondContact O-N 3.36Å; I711-S714 PolarHBondContact O-N 2.87Å; I711-S714 VanDerWaalsContact O-N 3.13Å; I711-S714 PolarHBondContact O-OG 2.89Å; F712-S714 VanDerWaalsContact C-N 3.25Å; F712-S714 PolarHBondContact O-N 3.47Å; S714-R716 VanDerWaalsContact C-N 3.3Å
715M85.3Confident81.8Confident99 Ų9960.3 Ų60.349%0.48832%0.323SS..THydrogen-bonded Turntrans-81.7-8.9178.2-65.4173.571.600112.9I711 F712 C713 S717 L728 L732I711-M715 HydrophobicContact CG2-SD 4.32Å; I711-M715 WeakPolarHBondContact O-CG 3.37Å; I711-M715 PolarHBondContact O-N 3.43Å; F712-M715 WeakPolarHBondContact O-CB 3.35Å; F712-M715 PolarHBondContact O-N 3.47Å; F712-M715 VanDerWaalsContact O-N 3.07Å; C713-M715 VanDerWaalsContact C-N 3.25Å; C713-M715 PolarHBondContact O-N 3.03Å; M715-S717 PolarHBondContact O-N 3.22Å; M715-L728 HydrophobicContact CE-CD2 3.66Å; M715-L728 HydrophobicContact SD-CD2 4.04Å; M715-L732 HydrophobicContact SD-CD1 4.21Å
716R77.2Confident81.5Confident50 Ų5063.3 Ų63.319%0.18934%0.337CS..  trans-65.8132.3173.4-76.9-117.8-175.7-133.66.3110.3E130 F337 C713 S714 Q722E130-R716 IonicContact OE1-CZ 3.32Å; E130-R716 IonicContact OE1-NE 3.58Å; E130-R716 PolarHBondContact OE1-NE 3.1Å; E130-R716 IonicContact OE1-NH2 3.11Å; E130-R716 PolarHBondContact OE1-NH2 2.93Å; E130-R716 IonicContact OE2-NH2 3.85Å; E130-R716 PolarHBondContact OE2-NH2 2.65Å; F337-R716 HydrophobicContact CD2-CB 4.06Å; F337-R716 HydrophobicContact CE2-CB 4.22Å; F337-R716 HydrophobicContact CG-CB 4.3Å; C713-R716 PolarHBondContact O-N 3.38Å; S714-R716 VanDerWaalsContact C-N 3.3Å; R716-Q722 PolarHBondContact NH1-O 3.24Å; R716-Q722 VanDerWaalsContact NH1-O 3.12Å
717S68.8Low81.2Confident46 Ų4671 Ų7132%0.32237%0.373SS..  trans-118.9160.9174.269.30000110.1F337 M715 D719 Q722F337-S717 VanDerWaalsContact CZ-O 3.29Å; F337-S717 WeakPolarHBondContact CZ-O 3.27Å; M715-S717 PolarHBondContact O-N 3.22Å; S717-D719 PolarHBondContact O-N 2.83Å; S717-Q722 PolarHBondContact OG-NE2 3.45Å
718K62.3Low81Confident168 Ų16873 Ų7373%0.7338%0.383SS*.SBendtrans-68.7-7.5175.6-74.1-170.3176.1-171.90113.7F337 Q720F337-K718 HydrophobicContact CE2-CG 4.46Å; F337-K718 HydrophobicContact CZ-CG 4.28Å; K718-Q720 VanDerWaalsContact C-N 3.33Å; K718-Q720 WeakPolarHBondContact O-CA 3.25Å; K718-Q720 VanDerWaalsContact O-CG 3.29Å; K718-Q720 WeakPolarHBondContact O-CG 2.97Å; K718-Q720 PolarHBondContact O-N 2.9Å
719D58.9Low80.9Confident127 Ų12773.1 Ų73.168%0.67938%0.384SS*.  trans-71.895.7175.5-63.8-28.4000108.2S717 T721S717-D719 PolarHBondContact O-N 2.83Å; D719-T721 VanDerWaalsContact C-N 3.28Å; D719-T721 PolarHBondContact O-N 3.11Å
720Q51.4Low80.8Confident167 Ų16775.2 Ų75.278%0.7839%0.394SS*.THydrogen-bonded Turntrans-72.610.5-147.4-102.316715.500117.2K718K718-Q720 VanDerWaalsContact C-N 3.33Å; K718-Q720 WeakPolarHBondContact O-CA 3.25Å; K718-Q720 VanDerWaalsContact O-CG 3.29Å; K718-Q720 WeakPolarHBondContact O-CG 2.97Å; K718-Q720 PolarHBondContact O-N 2.9Å
721T53.7Low80.6Confident133 Ų13382 Ų8282%0.81642%0.423SS*.THydrogen-bonded Turntrans-104.910.4-17460.60000114.4D719 C723D719-T721 VanDerWaalsContact C-N 3.28Å; D719-T721 PolarHBondContact O-N 3.11Å; T721-C723 PolarHBondContact O-N 3.4Å
722Q60.6Low80.5Confident97 Ų9781.8 Ų81.845%0.45342%0.422SS..  trans-76.799.3-172.9-64.4-170-0.800112.1R716 S717R716-Q722 PolarHBondContact NH1-O 3.24Å; R716-Q722 VanDerWaalsContact NH1-O 3.12Å; S717-Q722 PolarHBondContact OG-NE2 3.45Å
723C74.3Confident80.6Confident117 Ų11781.2 Ų81.279%0.79142%0.42SS*.  trans-47.7141.5156.5-67.80000109.9T721 N725T721-C723 PolarHBondContact O-N 3.4Å; C723-N725 PolarHBondContact O-N 2.95Å; C723-N725 VanDerWaalsContact O-N 3.13Å
724L85.8Confident80.2Confident40 Ų4081.2 Ų81.221%0.20942%0.422CS..  trans-59.9117.2177.7-178.267.5000110.2F114 V118 P129 E130 F712 E726F114-L724 HydrophobicContact CE1-CD2 3.83Å; F114-L724 HydrophobicContact CE1-CG 4.33Å; F114-L724 HydrophobicContact CZ-CD1 4.15Å; F114-L724 HydrophobicContact CZ-CD2 3.73Å; F114-L724 HydrophobicContact CZ-CG 4.2Å; V118-L724 HydrophobicContact CG2-CD2 3.49Å; V118-L724 VanDerWaalsContact CG2-CD2 3.49Å; P129-L724 HydrophobicContact CG-CD2 4.03Å; E130-L724 HydrophobicContact CB-CD1 3.95Å; E130-L724 HydrophobicContact CG-CD1 4.26Å; E130-L724 WeakPolarHBondContact OE2-CD1 3.22Å; F712-L724 HydrophobicContact CE1-CD1 3.74Å; F712-L724 HydrophobicContact CZ-CD1 3.73Å; L724-E726 HydrophobicContact CD2-CG 4.41Å; L724-E726 HydrophobicContact CG-CG 4.48Å; L724-E726 PolarHBondContact O-N 2.98Å; L724-E726 VanDerWaalsContact O-N 3.09Å
725N89.3Confident79.4Confident81 Ų8178 Ų7843%0.43340%0.402SS..  trans-83.783.6178.5-169.8-25.6000110.5F712 C723 E727 L728 F729F712-N725 HydrophobicContact CE2-CB 4.45Å; F712-N725 VanDerWaalsContact CE2-O 3.31Å; F712-N725 WeakPolarHBondContact CE2-O 3.45Å; C723-N725 PolarHBondContact O-N 2.95Å; C723-N725 VanDerWaalsContact O-N 3.13Å; N725-E727 VanDerWaalsContact C-N 3.27Å; N725-E727 PolarHBondContact O-N 3.4Å; N725-E727 PolarHBondContact OD1-N 3.31Å; N725-L728 HydrophobicContact CB-CB 4.04Å; N725-L728 VanDerWaalsContact CG-CB 3.43Å; N725-L728 PolarHBondContact O-N 2.79Å; N725-L728 WeakPolarHBondContact OD1-CB 3.49Å; N725-L728 PolarHBondContact OD1-N 2.9Å; N725-F729 PolarHBondContact O-N 3.43Å
726E91.3Very high77.8Confident65 Ų6582.8 Ų82.830%0.30442%0.415SS..Hα-helixtrans-59-37.6-179.9-58.6-171.8-173.500112.5F114 L724 F729 H730F114-E726 HydrophobicContact CD1-CG 4.43Å; F114-E726 HydrophobicContact CE1-CB 4.28Å; F114-E726 HydrophobicContact CE1-CG 4.02Å; L724-E726 HydrophobicContact CD2-CG 4.41Å; L724-E726 HydrophobicContact CG-CG 4.48Å; L724-E726 PolarHBondContact O-N 2.98Å; L724-E726 VanDerWaalsContact O-N 3.09Å; E726-F729 WeakPolarHBondContact O-CB 3.08Å; E726-F729 PolarHBondContact O-N 2.71Å; E726-H730 PolarHBondContact O-CD2 3Å; E726-H730 PolarHBondContact O-N 2.95Å
727E91.7Very high75.9Confident161 Ų16190.5 Ų90.575%0.75246%0.455SS*.Hα-helixtrans-62.5-47179.3-173-174.1166.300111.1N725 F729 H730 K731N725-E727 VanDerWaalsContact C-N 3.27Å; N725-E727 PolarHBondContact O-N 3.4Å; N725-E727 PolarHBondContact OD1-N 3.31Å; E727-F729 VanDerWaalsContact C-N 3.34Å; E727-H730 PolarHBondContact O-N 3.07Å; E727-K731 WeakPolarHBondContact O-CB 3.06Å; E727-K731 PolarHBondContact O-N 2.67Å
728L92Very high76.3Confident43 Ų4392.8 Ų92.823%0.22546%0.462CS..Hα-helixtrans-64.4-40.4176.2178.963.7000111.5F712 M715 N725 H730 K731 L732F712-L728 HydrophobicContact CD2-CD2 4.24Å; F712-L728 HydrophobicContact CD2-CG 4.09Å; F712-L728 HydrophobicContact CE2-CB 4.18Å; F712-L728 HydrophobicContact CE2-CD2 4.2Å; F712-L728 HydrophobicContact CE2-CG 4.18Å; M715-L728 HydrophobicContact CE-CD2 3.66Å; M715-L728 HydrophobicContact SD-CD2 4.04Å; N725-L728 HydrophobicContact CB-CB 4.04Å; N725-L728 VanDerWaalsContact CG-CB 3.43Å; N725-L728 PolarHBondContact O-N 2.79Å; N725-L728 WeakPolarHBondContact OD1-CB 3.49Å; N725-L728 PolarHBondContact OD1-N 2.9Å; L728-H730 VanDerWaalsContact C-N 3.35Å; L728-H730 PolarHBondContact O-N 2.96Å; L728-K731 WeakPolarHBondContact O-CB 3.38Å; L728-K731 PolarHBondContact O-N 2.88Å; L728-L732 HydrophobicContact CD1-CD1 4.06Å; L728-L732 HydrophobicContact CD1-CG 4.19Å; L728-L732 HydrophobicContact CG-CD1 4.02Å; L728-L732 WeakPolarHBondContact O-CG 3.37Å; L728-L732 PolarHBondContact O-N 3.01Å
729F93.9Very high77Confident2 Ų288.8 Ų88.81%0.00945%0.448CS..Hα-helixtrans-57.3-49.8175.2-178.1-89.6000110.6F114 F333 F712 N725 E726 E727 K731 L732 T733F114-F729 HydrophobicContact CB-CD1 4.31Å; F114-F729 HydrophobicContact CB-CE1 4.01Å; F114-F729 AromaticContact CD1-CD1 3.69Å; F114-F729 HydrophobicContact CD1-CD1 3.69Å; F114-F729 HydrophobicContact CD1-CE1 4.13Å; F114-F729 HydrophobicContact CD1-CG 4.2Å; F114-F729 AromaticContact CD2-CD1 3.63Å; F114-F729 HydrophobicContact CD2-CD1 3.63Å; F114-F729 HydrophobicContact CD2-CD2 4.35Å; F114-F729 AromaticContact CD2-CE1 3.24Å; F114-F729 HydrophobicContact CD2-CE1 3.24Å; F114-F729 HydrophobicContact CD2-CE2 4.02Å; F114-F729 HydrophobicContact CD2-CG 4.18Å; F114-F729 AromaticContact CD2-CZ 3.45Å; F114-F729 HydrophobicContact CD2-CZ 3.45Å; F114-F729 VanDerWaalsContact CD2-CZ 3.45Å; F114-F729 HydrophobicContact CE1-CB 3.95Å; F114-F729 AromaticContact CE1-CD1 3.77Å; F114-F729 HydrophobicContact CE1-CD1 3.77Å; F114-F729 HydrophobicContact CE1-CD2 4.4Å; F114-F729 HydrophobicContact CE1-CE1 4.4Å; F114-F729 AromaticContact CE1-CG 3.78Å; F114-F729 HydrophobicContact CE1-CG 3.78Å; F114-F729 AromaticContact CE2-CD1 3.69Å; F114-F729 HydrophobicContact CE2-CD1 3.69Å; F114-F729 AromaticContact CE2-CD2 3.65Å; F114-F729 HydrophobicContact CE2-CD2 3.65Å; F114-F729 AromaticContact CE2-CE1 3.57Å; F114-F729 HydrophobicContact CE2-CE1 3.57Å; F114-F729 AromaticContact CE2-CE2 3.51Å; F114-F729 HydrophobicContact CE2-CE2 3.51Å; F114-F729 AromaticContact CE2-CG 3.73Å; F114-F729 HydrophobicContact CE2-CG 3.73Å; F114-F729 AromaticContact CE2-CZ 3.46Å; F114-F729 HydrophobicContact CE2-CZ 3.46Å; F114-F729 VanDerWaalsContact CE2-CZ 3.46Å; F114-F729 AromaticContact CG-CD1 3.61Å; F114-F729 HydrophobicContact CG-CD1 3.61Å; F114-F729 AromaticContact CG-CE1 3.54Å; F114-F729 HydrophobicContact CG-CE1 3.54Å; F114-F729 HydrophobicContact CG-CG 4.37Å; F114-F729 HydrophobicContact CG-CZ 4.22Å; F114-F729 HydrophobicContact CZ-CB 3.99Å; F114-F729 AromaticContact CZ-CD1 3.76Å; F114-F729 HydrophobicContact CZ-CD1 3.76Å; F114-F729 AromaticContact CZ-CD2 3.68Å; F114-F729 HydrophobicContact CZ-CD2 3.68Å; F114-F729 HydrophobicContact CZ-CE1 4.14Å; F114-F729 HydrophobicContact CZ-CE2 4.05Å; F114-F729 AromaticContact CZ-CG 3.51Å; F114-F729 HydrophobicContact CZ-CG 3.51Å; F114-F729 HydrophobicContact CZ-CZ 4.27Å; F333-F729 HydrophobicContact CE2-CE2 4.37Å; F333-F729 HydrophobicContact CE2-CZ 4.49Å; F712-F729 HydrophobicContact CB-CD2 4.31Å; F712-F729 AromaticContact CD1-CD2 3.72Å; F712-F729 HydrophobicContact CD1-CD2 3.72Å; F712-F729 HydrophobicContact CD1-CE2 4.49Å; F712-F729 HydrophobicContact CD2-CB 3.96Å; F712-F729 HydrophobicContact CD2-CD2 4.25Å; F712-F729 HydrophobicContact CE1-CB 4.47Å; F712-F729 HydrophobicContact CE1-CD2 4.03Å; F712-F729 HydrophobicContact CE2-CB 3.75Å; F712-F729 HydrophobicContact CG-CB 4.4Å; F712-F729 AromaticContact CG-CD2 3.83Å; F712-F729 HydrophobicContact CG-CD2 3.83Å; F712-F729 HydrophobicContact CZ-CB 4.02Å; F712-F729 HydrophobicContact CZ-CD2 4.42Å; N725-F729 PolarHBondContact O-N 3.43Å; E726-F729 WeakPolarHBondContact O-CB 3.08Å; E726-F729 PolarHBondContact O-N 2.71Å; E727-F729 VanDerWaalsContact C-N 3.34Å; F729-K731 VanDerWaalsContact C-N 3.34Å; F729-K731 PolarHBondContact O-N 2.82Å; F729-L732 PolarHBondContact O-N 3.13Å; F729-T733 HydrophobicContact CD1-CG2 4.28Å; F729-T733 WeakPolarHBondContact CD1-OG1 3.35Å; F729-T733 HydrophobicContact CD2-CG2 4.31Å; F729-T733 HydrophobicContact CE1-CG2 3.9Å; F729-T733 WeakPolarHBondContact CE1-OG1 3.38Å; F729-T733 HydrophobicContact CE2-CG2 3.96Å; F729-T733 HydrophobicContact CG-CG2 4.47Å; F729-T733 HydrophobicContact CZ-CG2 3.74Å; F729-T733 WeakPolarHBondContact O-CB 3.35Å; F729-T733 WeakPolarHBondContact O-CG2 3.28Å; F729-T733 PolarHBondContact O-N 3.47Å; F729-T733 PolarHBondContact O-OG1 3.33Å
730H94.4Very high78Confident45 Ų4586.7 Ų86.721%0.20844%0.435CS..Hα-helixtrans-68.2-30.5178.2-72.8-57.4000113.2F114 S312 S313 E726 E727 L728 L732 G734F114-H730 AromaticContact CD1-NE2 3.95Å; S312-H730 PolarHBondContact O-CE1 2.94Å; S313-H730 PolarHBondContact OG-ND1 3.12Å; E726-H730 PolarHBondContact O-CD2 3Å; E726-H730 PolarHBondContact O-N 2.95Å; E727-H730 PolarHBondContact O-N 3.07Å; L728-H730 VanDerWaalsContact C-N 3.35Å; L728-H730 PolarHBondContact O-N 2.96Å; H730-L732 VanDerWaalsContact C-N 3.33Å; H730-L732 PolarHBondContact O-N 2.95Å; H730-G734 WeakPolarHBondContact O-CA 3.35Å; H730-G734 PolarHBondContact O-N 2.85Å
731K92.3Very high79.6Confident143 Ų14381.9 Ų81.962%0.62242%0.415SS*.Hα-helixtrans-63.3-39.7172.7-175.4177.3-179.5176.90111.9E727 L728 F729E727-K731 WeakPolarHBondContact O-CB 3.06Å; E727-K731 PolarHBondContact O-N 2.67Å; L728-K731 WeakPolarHBondContact O-CB 3.38Å; L728-K731 PolarHBondContact O-N 2.88Å; F729-K731 VanDerWaalsContact C-N 3.34Å; F729-K731 PolarHBondContact O-N 2.82Å
732L93.9Very high81.2Confident24 Ų2478.8 Ų78.813%0.12639%0.39CS..Hα-helixtrans-81.4-36.9-179.3-64.6169.5000112.4W673 H704 I711 F712 M715 L728 F729 H730W673-L732 HydrophobicContact CH2-CD2 3.78Å; W673-L732 HydrophobicContact CZ2-CD2 4.32Å; H704-L732 PolarHBondContact NE2-O 3.28Å; I711-L732 HydrophobicContact CG2-CD1 4.24Å; I711-L732 HydrophobicContact CG2-CD2 4.3Å; F712-L732 HydrophobicContact CB-CD1 3.85Å; F712-L732 HydrophobicContact CD2-CD1 4.08Å; F712-L732 HydrophobicContact CG-CD1 4.49Å; M715-L732 HydrophobicContact SD-CD1 4.21Å; L728-L732 HydrophobicContact CD1-CD1 4.06Å; L728-L732 HydrophobicContact CD1-CG 4.19Å; L728-L732 HydrophobicContact CG-CD1 4.02Å; L728-L732 WeakPolarHBondContact O-CG 3.37Å; L728-L732 PolarHBondContact O-N 3.01Å; F729-L732 PolarHBondContact O-N 3.13Å; H730-L732 VanDerWaalsContact C-N 3.33Å; H730-L732 PolarHBondContact O-N 2.95Å
733T94.6Very high82.6Confident0 Ų077.5 Ų77.50%039%0.386CS..Hα-helixtrans-99.2-25.2-172.960.90000113.8K701 H704 F729 G735K701-T733 PolarHBondContact NZ-O 2.8Å; H704-T733 PolarHBondContact CD2-O 2.96Å; H704-T733 PolarHBondContact NE2-O 3.24Å; F729-T733 HydrophobicContact CD1-CG2 4.28Å; F729-T733 WeakPolarHBondContact CD1-OG1 3.35Å; F729-T733 HydrophobicContact CD2-CG2 4.31Å; F729-T733 HydrophobicContact CE1-CG2 3.9Å; F729-T733 WeakPolarHBondContact CE1-OG1 3.38Å; F729-T733 HydrophobicContact CE2-CG2 3.96Å; F729-T733 HydrophobicContact CG-CG2 4.47Å; F729-T733 HydrophobicContact CZ-CG2 3.74Å; F729-T733 WeakPolarHBondContact O-CB 3.35Å; F729-T733 WeakPolarHBondContact O-CG2 3.28Å; F729-T733 PolarHBondContact O-N 3.47Å; F729-T733 PolarHBondContact O-OG1 3.33Å; T733-G735 VanDerWaalsContact C-N 3.35Å; T733-G735 PolarHBondContact O-N 3.18Å
734G85.3Confident83.1Confident17 Ų1774.7 Ų74.718%0.17536%0.357CS..SBendtrans-60.3-43-175.900000112.9S313 K701 H730S313-G734 WeakPolarHBondContact OG-CA 3.39Å; K701-G734 VanDerWaalsContact NZ-C 3.29Å; K701-G734 VanDerWaalsContact NZ-CA 3.33Å; K701-G734 PolarHBondContact NZ-O 3.14Å; H730-G734 WeakPolarHBondContact O-CA 3.35Å; H730-G734 PolarHBondContact O-N 2.85Å
735G70.5Confident82.9Confident12 Ų1277.4 Ų77.412%0.12437%0.368CS..  trans69.2127.5-164.600000108.3H704 T733 M737H704-G735 WeakPolarHBondContact NE2-CA 3.4Å; H704-G735 PolarHBondContact NE2-N 3.11Å; H704-G735 VanDerWaalsContact NE2-N 3.15Å; T733-G735 VanDerWaalsContact C-N 3.35Å; T733-G735 PolarHBondContact O-N 3.18Å; G735-M737 PolarHBondContact O-N 3.32Å
736W52.7Low82.4Confident201 Ų20177.1 Ų77.176%0.76136%0.363SS*.  trans-52.8113.9-179.1-61.281.4000109W677W677-W736 PolarHBondContact NE1-O 2.93Å
737M36.4Very low81.6Confident212 Ų21278.2 Ų78.2100%1.04437%0.368SS*.  trans-83.20157-85-168.4-78.300107.3G735G735-M737 PolarHBondContact O-N 3.32Å

Retrieved 737 of 737 residues in 404 ms (Link to these results)

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