A0A077ZAE3_TRITR Loading...

Ras protein Rab 28

AlphaFold DB , UniProt , Accession A0A077ZAE3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 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
1M44.4Very low50.7Low232 Ų232138.2 Ų138.2100%1.14375%0.751SS**  0107.70-74.4164.4160.400104.7D3M1-D3 PolarHBondContact O-N 3.25Å
2S46.2Very low53.8Low117 Ų117138.4 Ų138.482%0.81873%0.733SS**  trans-75104.4173.151.40000105.8S4S2-S4 PolarHBondContact O-N 2.91Å
3D44.6Very low56.9Low142 Ų142135.7 Ų135.776%0.75971%0.713SS**  trans-62.1100.4163.5-70.1-27.4000105.3M1 D5M1-D3 PolarHBondContact O-N 3.25Å; D3-D5 PolarHBondContact O-N 2.82Å
4S48.5Very low59.7Low95 Ų95126.5 Ų126.566%0.66467%0.665SS**  trans-61.497.8159.143.90000104.4S2 D6S2-S4 PolarHBondContact O-N 2.91Å; S4-D6 VanDerWaalsContact C-N 3.27Å; S4-D6 PolarHBondContact O-N 2.97Å
5D49.9Very low62.1Low147 Ų147119.9 Ų119.979%0.78663%0.629SS**  trans-46.8104.2161.8-72.6-38000105.4D3 E7D3-D5 PolarHBondContact O-N 2.82Å; D5-E7 VanDerWaalsContact C-N 3.33Å; D5-E7 PolarHBondContact O-N 2.69Å
6D47.6Very low64.4Low140 Ų140112.6 Ų112.675%0.74959%0.591SS**  trans-50.4108.7170.3-74.6-44.7000104.5S4 V8S4-D6 VanDerWaalsContact C-N 3.27Å; S4-D6 PolarHBondContact O-N 2.97Å; D6-V8 PolarHBondContact O-N 2.71Å
7E46.3Very low66.3Low178 Ų178106 Ų10683%0.83256%0.556SS**  trans-56.197.9168.7-77.8-174.5166.900104.5D5 I9D5-E7 VanDerWaalsContact C-N 3.33Å; D5-E7 PolarHBondContact O-N 2.69Å; E7-I9 PolarHBondContact O-N 2.83Å
8V45.2Very low68.1Low116 Ų116100.1 Ų100.170%0.70353%0.525SS*.  trans-61.894.2172.1178.40000103.7D6 N10D6-V8 PolarHBondContact O-N 2.71Å; V8-N10 PolarHBondContact O-N 2.71Å
9I53.6Low69.6Low140 Ų14094.8 Ų94.872%0.71850%0.497SS*.  trans-58.7100.9169.7-60.2174.6000103.2E7 E11E7-I9 PolarHBondContact O-N 2.83Å; I9-E11 PolarHBondContact O-N 2.78Å
10N58.8Low70.9Confident144 Ų14490.1 Ų90.177%0.7747%0.473SS*.  trans-67.674.6173.3-95.3-24.4000107V8 R12V8-N10 PolarHBondContact O-N 2.71Å; N10-R12 PolarHBondContact O-N 3.36Å; N10-R12 VanDerWaalsContact O-N 3.07Å
11E72.3Confident72.1Confident69 Ų6987.7 Ų87.732%0.32246%0.459SS..  trans-63111.6171.7-170.3171.6-166.400106.5I9 H13 T54I9-E11 PolarHBondContact O-N 2.78Å; E11-H13 PolarHBondContact O-CD2 3.45Å; E11-H13 PolarHBondContact O-N 3.37Å; E11-T54 WeakPolarHBondContact OE1-CG2 3.46Å; E11-T54 PolarHBondContact OE1-OG1 3.07Å
12R88.4Confident74.4Confident141 Ų14178.8 Ų78.853%0.53242%0.419SS..EExtended strand (participates in β ladder)trans-74.4123.3178.1-70.6-168.8-179-169.93.3108.1N10 V63 G64N10-R12 PolarHBondContact O-N 3.36Å; N10-R12 VanDerWaalsContact O-N 3.07Å; R12-V63 CarbonylContact O-C 3.56Å; R12-V63 WeakPolarHBondContact O-CA 3.28Å; R12-G64 PolarHBondContact O-N 2.84Å
13H93.7Very high76.7Confident103 Ų10374.3 Ų74.348%0.47739%0.392SS..EExtended strand (participates in β ladder)trans-96.5132173.2-63.2-74.8000110.5E11 G64E11-H13 PolarHBondContact O-CD2 3.45Å; E11-H13 PolarHBondContact O-N 3.37Å; H13-G64 CarbonylContact C-O 3.52Å; H13-G64 WeakPolarHBondContact CA-O 3.39Å
14L96.1Very high79.1Confident7 Ų767.6 Ų67.64%0.03736%0.356CS..EExtended strand (participates in β ladder)trans-114.5126174.5-57.9-175.3000110.3V63 G64 L65 Q66 D88 A176 V179 L180L14-V63 HydrophobicContact CD1-CG1 3.71Å; L14-V63 HydrophobicContact CG-CG1 3.69Å; L14-G64 PolarHBondContact N-O 2.93Å; L14-L65 HydrophobicContact CB-CD2 3.98Å; L14-L65 HydrophobicContact CD1-CD2 4.06Å; L14-L65 HydrophobicContact CG-CD2 4.39Å; L14-Q66 PolarHBondContact O-N 2.83Å; L14-D88 WeakPolarHBondContact CA-OD2 3.32Å; L14-D88 HydrophobicContact CB-CB 4.36Å; L14-D88 HydrophobicContact CD2-CB 4.41Å; L14-A176 HydrophobicContact CD1-CB 3.87Å; L14-V179 HydrophobicContact CD1-CB 4.13Å; L14-V179 HydrophobicContact CD1-CG1 3.95Å; L14-V179 HydrophobicContact CD2-CG1 3.61Å; L14-V179 HydrophobicContact CG-CG1 4.36Å; L14-L180 HydrophobicContact CD1-CD1 4.03Å; L14-L180 HydrophobicContact CD1-CG 4.02Å; L14-L180 HydrophobicContact CD2-CD2 4.02Å; L14-L180 HydrophobicContact CD2-CG 4.38Å
15K96.5Very high81.4Confident28 Ų2864 Ų6412%0.12233%0.334CS..EExtended strand (participates in β ladder)trans-86.2111.6173.7-178.6173.8175.6-173.70110.5V17 Y83 L85 D88 A89K15-V17 HydrophobicContact CG-CG2 4.3Å; K15-Y83 WeakPolarHBondContact CE-O 3.3Å; K15-Y83 PolarHBondContact NZ-O 2.69Å; K15-L85 PolarHBondContact NZ-O 3.49Å; K15-D88 PolarHBondContact N-OD2 3.48Å; K15-D88 WeakPolarHBondContact O-CB 3.4Å; K15-D88 PolarHBondContact O-N 3.3Å; K15-A89 PolarHBondContact O-N 3.05Å; K15-A89 VanDerWaalsContact O-N 3.1Å
16V97.9Very high83.7Confident3 Ų357.4 Ų57.42%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-111122177.9-174.40000109.4L18 Q66 I67 W68 A89 I91 F172V16-L18 HydrophobicContact CG1-CD1 4.31Å; V16-Q66 PolarHBondContact N-O 2.87Å; V16-I67 HydrophobicContact CB-CG1 4.34Å; V16-I67 CarbonylContact O-C 3.5Å; V16-I67 WeakPolarHBondContact O-CA 3.32Å; V16-W68 PolarHBondContact O-N 3.48Å; V16-A89 WeakPolarHBondContact CA-O 2.99Å; V16-A89 HydrophobicContact CG1-CB 4.39Å; V16-A89 HydrophobicContact CG2-CB 4.34Å; V16-I91 HydrophobicContact CG1-CD1 3.61Å; V16-I91 HydrophobicContact CG1-CG1 3.95Å; V16-F172 HydrophobicContact CG1-CE1 4.38Å
17V97.5Very high86Confident0 Ų052.5 Ų52.50%027%0.273CS..EExtended strand (participates in β ladder)trans-112128.4-179.6-173.10000110.1K15 L19 W68 V70 Y83 A87 A89 I90 I91K15-V17 HydrophobicContact CG-CG2 4.3Å; V17-L19 HydrophobicContact CG1-CD2 3.84Å; V17-L19 HydrophobicContact CG1-CG 4.14Å; V17-W68 HydrophobicContact CB-CB 4.43Å; V17-W68 HydrophobicContact CG1-CB 4.28Å; V17-W68 HydrophobicContact CG2-CB 4.18Å; V17-W68 HydrophobicContact CG2-CG 4.43Å; V17-V70 HydrophobicContact CG1-CG2 3.77Å; V17-Y83 WeakPolarHBondContact CG2-O 3.37Å; V17-A87 HydrophobicContact CG2-CB 3.76Å; V17-A89 PolarHBondContact N-O 3.04Å; V17-I90 HydrophobicContact CB-CD1 3.71Å; V17-I90 HydrophobicContact CG1-CD1 4.47Å; V17-I90 HydrophobicContact CG2-CD1 4.14Å; V17-I90 WeakPolarHBondContact O-CA 3.18Å; V17-I91 PolarHBondContact O-N 3.45Å
18L98Very high88.5Confident0 Ų045.2 Ų45.20%024%0.244CC..EExtended strand (participates in β ladder)trans-98.6122.7176.6-73.975000109.8V16 K26 F29 C30 I67 W68 V70 I91V16-L18 HydrophobicContact CG1-CD1 4.31Å; L18-K26 HydrophobicContact CB-CD 4.06Å; L18-K26 HydrophobicContact CB-CG 4.42Å; L18-K26 HydrophobicContact CD2-CB 4.22Å; L18-F29 HydrophobicContact CD2-CD1 3.71Å; L18-F29 HydrophobicContact CD2-CE1 4.16Å; L18-C30 WeakPolarHBondContact CD2-SG 3.17Å; L18-I67 HydrophobicContact CD1-CG2 3.53Å; L18-W68 PolarHBondContact N-O 3.39Å; L18-V70 WeakPolarHBondContact O-CB 3.37Å; L18-V70 PolarHBondContact O-N 2.86Å; L18-I91 WeakPolarHBondContact CA-O 3.25Å; L18-I91 HydrophobicContact CD1-CD1 4.44Å; L18-I91 HydrophobicContact CG-CB 4.09Å; L18-I91 HydrophobicContact CG-CG2 4.31Å
19L96.8Very high91Very high0 Ų039.8 Ų39.80%021%0.21CC..EExtended strand (participates in β ladder)trans-123.8146.7-179.1-59.7-179.6000110.4V17 V70 L80 V84 I90 I91 F92 A93 W108 V112V17-L19 HydrophobicContact CG1-CD2 3.84Å; V17-L19 HydrophobicContact CG1-CG 4.14Å; L19-V70 HydrophobicContact CD2-CB 3.98Å; L19-V70 HydrophobicContact CD2-CG1 4.26Å; L19-V70 HydrophobicContact CD2-CG2 3.92Å; L19-L80 HydrophobicContact CD2-CD1 3.92Å; L19-V84 HydrophobicContact CD1-CG2 4.1Å; L19-V84 HydrophobicContact CD2-CG2 4.48Å; L19-I90 HydrophobicContact CD1-CG2 3.81Å; L19-I90 HydrophobicContact CG-CG2 4.2Å; L19-I91 PolarHBondContact N-O 2.91Å; L19-F92 HydrophobicContact CB-CD1 4.23Å; L19-F92 HydrophobicContact CB-CE1 4.47Å; L19-F92 HydrophobicContact CD1-CE1 4.16Å; L19-F92 CarbonylContact O-C 3.59Å; L19-F92 WeakPolarHBondContact O-CA 3.43Å; L19-A93 PolarHBondContact O-N 2.57Å; L19-W108 HydrophobicContact CB-CD2 4.09Å; L19-W108 HydrophobicContact CB-CE3 3.78Å; L19-W108 HydrophobicContact CB-CZ3 4.2Å; L19-W108 HydrophobicContact CD1-CE3 4.03Å; L19-W108 HydrophobicContact CD1-CZ3 4.49Å; L19-W108 HydrophobicContact CD2-CE3 4.12Å; L19-W108 HydrophobicContact CD2-CZ3 3.82Å; L19-W108 HydrophobicContact CG-CE3 4.2Å; L19-W108 HydrophobicContact CG-CZ3 4.39Å; L19-V112 HydrophobicContact CD1-CG2 3.47Å; L19-V112 VanDerWaalsContact CD1-CG2 3.47Å
20G96.5Very high93.1Very high0 Ų033.1 Ų33.10%018%0.176CC..  trans153.9169.1-179.600000112.2K26 A93G20-K26 PolarHBondContact O-NZ 3.23Å; G20-A93 WeakPolarHBondContact CA-O 3.47Å
21E94.9Very high94.9Very high40 Ų4027.6 Ų27.619%0.18715%0.147CC..  trans-57.2158.6-178.6-80.5-60.9133.800113.8C24 K26 R104E21-C24 PolarHBondContact O-SG 2.81Å; E21-K26 PolarHBondContact O-NZ 2.63Å; E21-R104 HydrophobicContact CG-CB 3.84Å; E21-R104 HydrophobicContact CG-CG 3.93Å; E21-R104 IonicContact OE1-CZ 2.66Å; E21-R104 VanDerWaalsContact OE1-CZ 3.28Å; E21-R104 IonicContact OE1-NE 3.6Å; E21-R104 IonicContact OE1-NH1 3.7Å; E21-R104 PolarHBondContact OE1-NH1 3.39Å; E21-R104 VanDerWaalsContact OE1-NH1 3.11Å; E21-R104 IonicContact OE1-NH2 3.6Å
22S93.3Very high96.1Very high44 Ų4426.1 Ų26.131%0.30814%0.138SC..THydrogen-bonded Turntrans-65.2136.8175.9-158.50000110.2C24 Y42S22-C24 VanDerWaalsContact C-N 3.29Å; S22-C24 PolarHBondContact O-N 3.16Å; S22-Y42 PolarHBondContact OG-OH 3.38Å
23G93.7Very high96.5Very high24 Ų2420 Ų2025%0.24712%0.115CC..THydrogen-bonded Turntrans77.74.6176.100000115.8G25 Y42 K132G23-G25 VanDerWaalsContact C-N 3.26Å; G23-G25 PolarHBondContact O-N 2.88Å; G23-Y42 VanDerWaalsContact CA-CE2 3.45Å; G23-Y42 PolarHBondContact N-OH 2.85Å; G23-K132 PolarHBondContact O-NZ 2.85Å
24C95.8Very high96.6Very high1 Ų116.7 Ų16.71%0.00710%0.101CC..SBendtrans-70.3-21.5176.567.20000113.9E21 S22 A93 D95 M131 K132E21-C24 PolarHBondContact O-SG 2.81Å; S22-C24 VanDerWaalsContact C-N 3.29Å; S22-C24 PolarHBondContact O-N 3.16Å; C24-A93 PolarHBondContact SG-O 2.85Å; C24-A93 VanDerWaalsContact SG-O 3.39Å; C24-D95 HydrophobicContact CB-CB 4.11Å; C24-M131 WeakPolarHBondContact O-CB 3.38Å; C24-K132 WeakPolarHBondContact O-CE 3.32Å
25G96.8Very high96.5Very high19 Ų1920.8 Ų20.820%0.19612%0.12CC..SBendtrans122.86.9174.900000116.4G23 T27 A28 F29 M131G23-G25 VanDerWaalsContact C-N 3.26Å; G23-G25 PolarHBondContact O-N 2.88Å; G25-T27 PolarHBondContact O-N 2.81Å; G25-A28 PolarHBondContact O-N 3.11Å; G25-F29 WeakPolarHBondContact O-CB 3.38Å; G25-F29 PolarHBondContact O-N 3.25Å; G25-M131 VanDerWaalsContact CA-SD 3.59Å
26K97.1Very high96.5Very high8 Ų825.1 Ų25.14%0.03514%0.144CC..Hα-helixtrans-50.3-52.4-177.6-62.6-175.6-56.3-70.80114L18 G20 E21 A28 F29 C30 D69 V70 A93L18-K26 HydrophobicContact CB-CD 4.06Å; L18-K26 HydrophobicContact CB-CG 4.42Å; L18-K26 HydrophobicContact CD2-CB 4.22Å; G20-K26 PolarHBondContact O-NZ 3.23Å; E21-K26 PolarHBondContact O-NZ 2.63Å; K26-A28 PolarHBondContact O-N 2.84Å; K26-F29 WeakPolarHBondContact O-CB 3.46Å; K26-F29 PolarHBondContact O-N 3.06Å; K26-C30 PolarHBondContact O-N 2.87Å; K26-C30 PolarHBondContact O-SG 3.05Å; K26-C30 VanDerWaalsContact O-SG 3.41Å; K26-D69 WeakPolarHBondContact CB-OD1 3.4Å; K26-V70 WeakPolarHBondContact CE-O 3.35Å; K26-A93 HydrophobicContact CD-CB 4.24Å; K26-A93 HydrophobicContact CG-CB 3.73Å
27T97Very high96.3Very high38 Ų3829 Ų2923%0.23316%0.163CC..Hα-helixtrans-62.5-44.4179.7-46.20000112.3G25 F29 C30 L31 T45 D69G25-T27 PolarHBondContact O-N 2.81Å; T27-F29 VanDerWaalsContact C-N 3.27Å; T27-F29 PolarHBondContact O-N 3.22Å; T27-C30 PolarHBondContact O-N 2.72Å; T27-L31 HydrophobicContact CG2-CD1 4.16Å; T27-L31 HydrophobicContact CG2-CG 4.49Å; T27-L31 WeakPolarHBondContact O-CG 3.05Å; T27-L31 PolarHBondContact O-N 3.34Å; T27-T45 PolarHBondContact OG1-OG1 3.3Å; T27-D69 VanDerWaalsContact CA-OD2 3.24Å; T27-D69 WeakPolarHBondContact CA-OD2 3.31Å; T27-D69 VanDerWaalsContact CB-OD2 3.25Å; T27-D69 WeakPolarHBondContact CB-OD2 3.49Å; T27-D69 PolarHBondContact OG1-OD2 3.25Å
28A97.6Very high96.2Very high25 Ų2532.1 Ų32.121%0.20718%0.176CC..Hα-helixtrans-62-37.4176.400000111.7G25 K26 R32 F38 A162G25-A28 PolarHBondContact O-N 3.11Å; K26-A28 PolarHBondContact O-N 2.84Å; A28-R32 VanDerWaalsContact O-CB 3.29Å; A28-R32 WeakPolarHBondContact O-CB 3.22Å; A28-R32 PolarHBondContact O-N 3.22Å; A28-F38 HydrophobicContact CB-CD2 4.21Å; A28-F38 HydrophobicContact CB-CE2 4.18Å; A28-A162 HydrophobicContact CB-CB 3.94Å
29F98.1Very high96Very high1 Ų137.9 Ų37.90%0.00420%0.201CC..Hα-helixtrans-66.4-42.9175.1176.8-99.6000112.5L18 G25 K26 T27 F33 I91 V129 M131 T160 V168 C171 F172L18-F29 HydrophobicContact CD2-CD1 3.71Å; L18-F29 HydrophobicContact CD2-CE1 4.16Å; G25-F29 WeakPolarHBondContact O-CB 3.38Å; G25-F29 PolarHBondContact O-N 3.25Å; K26-F29 WeakPolarHBondContact O-CB 3.46Å; K26-F29 PolarHBondContact O-N 3.06Å; T27-F29 VanDerWaalsContact C-N 3.27Å; T27-F29 PolarHBondContact O-N 3.22Å; F29-F33 PolarHBondContact O-N 3.45Å; F29-I91 HydrophobicContact CE1-CD1 4.5Å; F29-V129 HydrophobicContact CE2-CG1 4.45Å; F29-M131 HydrophobicContact CB-CE 3.24Å; F29-M131 HydrophobicContact CB-SD 4.47Å; F29-M131 HydrophobicContact CD1-CE 3.76Å; F29-M131 HydrophobicContact CD2-CE 3.77Å; F29-M131 HydrophobicContact CG-CE 3.33Å; F29-T160 HydrophobicContact CE2-CG2 3.92Å; F29-V168 HydrophobicContact CD2-CB 4.28Å; F29-V168 HydrophobicContact CD2-CG1 3.83Å; F29-V168 HydrophobicContact CD2-CG2 3.81Å; F29-V168 HydrophobicContact CE2-CB 4.02Å; F29-V168 HydrophobicContact CE2-CG1 3.73Å; F29-V168 HydrophobicContact CE2-CG2 3.89Å; F29-V168 HydrophobicContact CG-CG1 4.47Å; F29-V168 HydrophobicContact CZ-CG1 4.31Å; F29-C171 HydrophobicContact CZ-CB 4.05Å; F29-F172 AromaticContact CD1-CE2 3.83Å; F29-F172 HydrophobicContact CD1-CE2 3.83Å; F29-F172 AromaticContact CD1-CZ 3.93Å; F29-F172 HydrophobicContact CD1-CZ 3.93Å; F29-F172 HydrophobicContact CE1-CD2 4.13Å; F29-F172 HydrophobicContact CE1-CE1 4.41Å; F29-F172 AromaticContact CE1-CE2 3.18Å; F29-F172 HydrophobicContact CE1-CE2 3.18Å; F29-F172 AromaticContact CE1-CZ 3.36Å; F29-F172 HydrophobicContact CE1-CZ 3.36Å; F29-F172 HydrophobicContact CE2-CE2 4.45Å; F29-F172 HydrophobicContact CZ-CD2 4.1Å; F29-F172 AromaticContact CZ-CE2 3.54Å; F29-F172 HydrophobicContact CZ-CE2 3.54Å; F29-F172 HydrophobicContact CZ-CZ 4.15Å
30C97.6Very high95.6Very high0 Ų045.2 Ų45.20%024%0.236CC..Hα-helixtrans-60.9-50.6172.2-68.90000111.6L18 K26 T27 R32 F33 I34 Y51L18-C30 WeakPolarHBondContact CD2-SG 3.17Å; K26-C30 PolarHBondContact O-N 2.87Å; K26-C30 PolarHBondContact O-SG 3.05Å; K26-C30 VanDerWaalsContact O-SG 3.41Å; T27-C30 PolarHBondContact O-N 2.72Å; C30-R32 VanDerWaalsContact C-N 3.33Å; C30-R32 PolarHBondContact O-N 3.01Å; C30-F33 PolarHBondContact O-N 3.05Å; C30-F33 VanDerWaalsContact O-N 3.09Å; C30-I34 WeakPolarHBondContact O-CB 3.49Å; C30-I34 VanDerWaalsContact O-CG1 3.23Å; C30-I34 WeakPolarHBondContact O-CG1 3.44Å; C30-I34 PolarHBondContact O-N 2.84Å; C30-Y51 HydrophobicContact CB-CD2 4Å; C30-Y51 HydrophobicContact CB-CE2 3.88Å
31L96.5Very high95.2Very high28 Ų2848.4 Ų48.415%0.14727%0.269CS..Hα-helixtrans-63.1-39.2-179-69.5174.4000112.1T27 F33 I34 Q35 D36 Q37 F39 Y51T27-L31 HydrophobicContact CG2-CD1 4.16Å; T27-L31 HydrophobicContact CG2-CG 4.49Å; T27-L31 WeakPolarHBondContact O-CG 3.05Å; T27-L31 PolarHBondContact O-N 3.34Å; L31-F33 VanDerWaalsContact C-N 3.34Å; L31-F33 PolarHBondContact O-N 3.45Å; L31-I34 PolarHBondContact O-N 3.12Å; L31-Q35 WeakPolarHBondContact O-CA 3.49Å; L31-Q35 PolarHBondContact O-N 2.79Å; L31-D36 PolarHBondContact O-N 3.03Å; L31-Q37 CarbonylContact C-O 3.39Å; L31-F39 HydrophobicContact CD1-CD2 4Å; L31-F39 HydrophobicContact CD1-CE2 4.16Å; L31-Y51 HydrophobicContact CD2-CE1 3.91Å
32R97.4Very high94.9Very high39 Ų3952.8 Ų52.815%0.14728%0.284CS..Hα-helixtrans-59.5-45.9171.8173.657.271.1-1671.6111A28 C30 D36 Q37 F38 A162 K163 V168A28-R32 VanDerWaalsContact O-CB 3.29Å; A28-R32 WeakPolarHBondContact O-CB 3.22Å; A28-R32 PolarHBondContact O-N 3.22Å; C30-R32 VanDerWaalsContact C-N 3.33Å; C30-R32 PolarHBondContact O-N 3.01Å; R32-D36 WeakPolarHBondContact CD-OD1 3.45Å; R32-D36 IonicContact CZ-OD1 3.15Å; R32-D36 PolarHBondContact NH1-O 3.19Å; R32-D36 IonicContact NH1-OD1 3.19Å; R32-D36 PolarHBondContact NH1-OD1 2.86Å; R32-D36 WeakPolarHBondContact O-CA 3.37Å; R32-D36 PolarHBondContact O-N 2.87Å; R32-D36 VanDerWaalsContact O-N 3.08Å; R32-Q37 VanDerWaalsContact CA-O 3.25Å; R32-Q37 WeakPolarHBondContact CA-O 3.43Å; R32-Q37 PolarHBondContact N-O 3.1Å; R32-F38 VanDerWaalsContact NH2-CB 3.29Å; R32-A162 HydrophobicContact CB-CB 4.33Å; R32-A162 PolarHBondContact NE-O 2.95Å; R32-A162 PolarHBondContact NH2-O 3.41Å; R32-K163 PolarHBondContact NH2-O 3.18Å; R32-V168 HydrophobicContact CB-CG1 4.32Å; R32-V168 HydrophobicContact CG-CB 4.11Å; R32-V168 HydrophobicContact CG-CG1 3.95Å; R32-V168 HydrophobicContact CG-CG2 3.95Å
33F97.1Very high94.6Very high11 Ų1158.8 Ų58.85%0.04831%0.307CS..Hα-helixtrans-66.5-45.9179.2178.1-117000113F29 C30 L31 K53 L65 I67 V168 A169 F172F29-F33 PolarHBondContact O-N 3.45Å; C30-F33 PolarHBondContact O-N 3.05Å; C30-F33 VanDerWaalsContact O-N 3.09Å; L31-F33 VanDerWaalsContact C-N 3.34Å; L31-F33 PolarHBondContact O-N 3.45Å; F33-K53 HydrophobicContact CD1-CD 4.31Å; F33-K53 HydrophobicContact CE1-CB 4.35Å; F33-K53 HydrophobicContact CE1-CD 3.91Å; F33-K53 HydrophobicContact CE1-CG 4.35Å; F33-K53 HydrophobicContact CZ-CD 4.12Å; F33-K53 PolarHBondContact O-NZ 2.87Å; F33-L65 HydrophobicContact CE1-CD1 3.9Å; F33-L65 HydrophobicContact CZ-CD1 3.82Å; F33-I67 HydrophobicContact CD1-CD1 3.58Å; F33-I67 HydrophobicContact CE1-CD1 3.62Å; F33-V168 HydrophobicContact CB-CG1 3.8Å; F33-A169 HydrophobicContact CD2-CB 4.2Å; F33-A169 HydrophobicContact CE2-CB 4.32Å; F33-F172 HydrophobicContact CB-CD2 3.75Å; F33-F172 HydrophobicContact CB-CE2 3.46Å; F33-F172 VanDerWaalsContact CB-CE2 3.46Å; F33-F172 HydrophobicContact CB-CZ 4.29Å; F33-F172 HydrophobicContact CD1-CD1 4.17Å; F33-F172 AromaticContact CD1-CD2 3.63Å; F33-F172 HydrophobicContact CD1-CD2 3.63Å; F33-F172 HydrophobicContact CD1-CE1 4.25Å; F33-F172 AromaticContact CD1-CE2 3.72Å; F33-F172 HydrophobicContact CD1-CE2 3.72Å; F33-F172 AromaticContact CD1-CG 3.86Å; F33-F172 HydrophobicContact CD1-CG 3.86Å; F33-F172 HydrophobicContact CD1-CZ 4.03Å; F33-F172 HydrophobicContact CD2-CB 4.11Å; F33-F172 AromaticContact CD2-CD2 3.43Å; F33-F172 HydrophobicContact CD2-CD2 3.43Å; F33-F172 VanDerWaalsContact CD2-CD2 3.43Å; F33-F172 HydrophobicContact CD2-CE2 4.08Å; F33-F172 AromaticContact CD2-CG 3.96Å; F33-F172 HydrophobicContact CD2-CG 3.96Å; F33-F172 HydrophobicContact CE1-CB 4.11Å; F33-F172 HydrophobicContact CE1-CD1 4.07Å; F33-F172 HydrophobicContact CE1-CD2 4.05Å; F33-F172 HydrophobicContact CE1-CE2 4.49Å; F33-F172 AromaticContact CE1-CG 3.81Å; F33-F172 HydrophobicContact CE1-CG 3.81Å; F33-F172 HydrophobicContact CE2-CB 3.63Å; F33-F172 AromaticContact CE2-CD2 3.88Å; F33-F172 HydrophobicContact CE2-CD2 3.88Å; F33-F172 AromaticContact CE2-CG 3.92Å; F33-F172 HydrophobicContact CE2-CG 3.92Å; F33-F172 AromaticContact CG-CD2 3.28Å; F33-F172 HydrophobicContact CG-CD2 3.28Å; F33-F172 AromaticContact CG-CE2 3.47Å; F33-F172 HydrophobicContact CG-CE2 3.47Å; F33-F172 VanDerWaalsContact CG-CE2 3.47Å; F33-F172 AromaticContact CG-CG 3.93Å; F33-F172 HydrophobicContact CG-CG 3.93Å; F33-F172 HydrophobicContact CG-CZ 4.23Å; F33-F172 HydrophobicContact CZ-CB 3.63Å; F33-F172 HydrophobicContact CZ-CD1 4.44Å; F33-F172 HydrophobicContact CZ-CD2 4.16Å; F33-F172 AromaticContact CZ-CG 3.84Å; F33-F172 HydrophobicContact CZ-CG 3.84Å
34I96.2Very high94.4Very high34 Ų3460.5 Ų60.517%0.17431%0.314CS..Hα-helixtrans-75.8-49.3-171.8-60.1-69.5000110.8C30 L31 Y51 K53 I67C30-I34 WeakPolarHBondContact O-CB 3.49Å; C30-I34 VanDerWaalsContact O-CG1 3.23Å; C30-I34 WeakPolarHBondContact O-CG1 3.44Å; C30-I34 PolarHBondContact O-N 2.84Å; L31-I34 PolarHBondContact O-N 3.12Å; I34-Y51 HydrophobicContact CG1-CD1 4.35Å; I34-Y51 HydrophobicContact CG1-CG 4.22Å; I34-K53 HydrophobicContact CD1-CB 3.47Å; I34-K53 VanDerWaalsContact CD1-CB 3.47Å; I34-K53 HydrophobicContact CD1-CD 4.02Å; I34-K53 HydrophobicContact CD1-CG 4.4Å; I34-K53 PolarHBondContact O-NZ 3.11Å; I34-I67 HydrophobicContact CD1-CD1 3.88Å
35Q94.7Very high94Very high94 Ų9461.7 Ų61.744%0.43932%0.321SS..Hα-helixtrans-114.5-3.1-165.6-56.4177.73.800113.6L31 Q37L31-Q35 WeakPolarHBondContact O-CA 3.49Å; L31-Q35 PolarHBondContact O-N 2.79Å; Q35-Q37 HydrophobicContact CB-CB 4.31Å; Q35-Q37 HydrophobicContact CB-CG 4.18Å; Q35-Q37 PolarHBondContact O-N 2.81Å
36D95.2Very high93.4Very high119 Ų11969 Ų6964%0.63635%0.352SS*.SBendtrans54.439.2-170.8-163.129.6000113.3L31 R32L31-D36 PolarHBondContact O-N 3.03Å; R32-D36 WeakPolarHBondContact CD-OD1 3.45Å; R32-D36 IonicContact CZ-OD1 3.15Å; R32-D36 PolarHBondContact NH1-O 3.19Å; R32-D36 IonicContact NH1-OD1 3.19Å; R32-D36 PolarHBondContact NH1-OD1 2.86Å; R32-D36 WeakPolarHBondContact O-CA 3.37Å; R32-D36 PolarHBondContact O-N 2.87Å; R32-D36 VanDerWaalsContact O-N 3.08Å
37Q94.9Very high93Very high85 Ų8569.4 Ų69.440%0.39736%0.359SS..  trans-121.6150.9-178.7-70.9179.35.900112.3L31 R32 Q35 F39L31-Q37 CarbonylContact C-O 3.39Å; R32-Q37 VanDerWaalsContact CA-O 3.25Å; R32-Q37 WeakPolarHBondContact CA-O 3.43Å; R32-Q37 PolarHBondContact N-O 3.1Å; Q35-Q37 HydrophobicContact CB-CB 4.31Å; Q35-Q37 HydrophobicContact CB-CG 4.18Å; Q35-Q37 PolarHBondContact O-N 2.81Å; Q37-F39 HydrophobicContact CB-CE2 4.03Å; Q37-F39 HydrophobicContact CB-CZ 4.28Å
38F95.4Very high92.7Very high65 Ų6569.3 Ų69.329%0.28536%0.359SS..  trans-137.9132.9172.1175.2-100.3000109.8A28 R32 E40 A162 K163A28-F38 HydrophobicContact CB-CD2 4.21Å; A28-F38 HydrophobicContact CB-CE2 4.18Å; R32-F38 VanDerWaalsContact NH2-CB 3.29Å; F38-E40 HydrophobicContact CD1-CG 4.44Å; F38-E40 HydrophobicContact CE1-CG 3.76Å; F38-A162 HydrophobicContact CD2-CB 4.04Å; F38-A162 HydrophobicContact CE2-CB 4.29Å; F38-K163 HydrophobicContact CD1-CB 4.14Å; F38-K163 HydrophobicContact CD1-CG 3.96Å; F38-K163 HydrophobicContact CD2-CB 4.26Å; F38-K163 HydrophobicContact CE1-CB 3.81Å; F38-K163 HydrophobicContact CE1-CD 3.89Å; F38-K163 HydrophobicContact CE1-CG 3.63Å; F38-K163 HydrophobicContact CE2-CB 3.96Å; F38-K163 HydrophobicContact CG-CB 4.34Å; F38-K163 HydrophobicContact CZ-CB 3.73Å; F38-K163 HydrophobicContact CZ-CD 4.21Å; F38-K163 HydrophobicContact CZ-CG 4.04Å
39F93.7Very high92.5Very high120 Ų12072.4 Ų72.453%0.52637%0.369SS..  trans-119.1129.1178.7-58.7-79.5000109.1L31 Q37 G41L31-F39 HydrophobicContact CD1-CD2 4Å; L31-F39 HydrophobicContact CD1-CE2 4.16Å; Q37-F39 HydrophobicContact CB-CE2 4.03Å; Q37-F39 HydrophobicContact CB-CZ 4.28Å; F39-G41 VanDerWaalsContact C-N 3.32Å; F39-G41 PolarHBondContact O-N 2.99Å
40E89.2Confident92.4Very high155 Ų15577.4 Ų77.472%0.72439%0.391SS*.SBendtrans-73-24.1-177.6-69.1-166.815400113.4F38 K163F38-E40 HydrophobicContact CD1-CG 4.44Å; F38-E40 HydrophobicContact CE1-CG 3.76Å; E40-K163 IonicContact OE1-NZ 2.83Å; E40-K163 PolarHBondContact OE1-NZ 2.83Å; E40-K163 VanDerWaalsContact OE1-NZ 3.15Å
41G87.8Confident92.3Very high67 Ų6779 Ų7969%0.69140%0.397SS*.  trans-69.4136.8178.200000112.5F39F39-G41 VanDerWaalsContact C-N 3.32Å; F39-G41 PolarHBondContact O-N 2.99Å
42Y87.3Confident92.3Very high132 Ų13280.9 Ų80.952%0.51842%0.417SS..  trans-100.4120.7173174.2-115.7000111.4S22 G23 P44S22-Y42 PolarHBondContact OG-OH 3.38Å; G23-Y42 VanDerWaalsContact CA-CE2 3.45Å; G23-Y42 PolarHBondContact N-OH 2.85Å; Y42-P44 HydrophobicContact CE1-CG 3.75Å
43Q88Confident92.2Very high170 Ų17082.5 Ų82.579%0.79443%0.425SS*.  trans-120.1127.3163.8-68.9-174.5-16.900109T45Q43-T45 PolarHBondContact O-N 2.77Å
44P89.1Confident92Very high60 Ų6085.7 Ų85.739%0.3945%0.445SS..  trans-62.4127.9173.9-19.329.3000111.4Y42 M46Y42-P44 HydrophobicContact CE1-CG 3.75Å; P44-M46 PolarHBondContact O-N 2.89Å
45T86.8Confident91.7Very high25 Ų2585.3 Ų85.315%0.15344%0.443CS..  trans-60.3122.5171.9-37.30000110.3T27 Q43 E49T27-T45 PolarHBondContact OG1-OG1 3.3Å; Q43-T45 PolarHBondContact O-N 2.77Å; T45-E49 HydrophobicContact CG2-CB 4.3Å; T45-E49 HydrophobicContact CG2-CG 3.57Å
46M85Confident91.4Very high172 Ų17288.3 Ų88.385%0.84745%0.45SS*.  trans-90.4105.9176.1-73.9-176.342.300109.8P44P44-M46 PolarHBondContact O-N 2.89Å
47G87.7Confident91Very high18 Ų1882.8 Ų82.819%0.18642%0.42CS..SBendtrans83.5-120.1-178.900000111.7G71 Q74G47-G71 PolarHBondContact O-N 3.4Å; G47-Q74 WeakPolarHBondContact O-CG 3.27Å
48V92Very high90.5Very high36 Ų3681.2 Ų81.222%0.21841%0.414CS..EExtended strand (participates in β ladder)trans-136.3135.5-179.567.10000109.9W68 D69 V70 Y83V48-W68 HydrophobicContact CG2-CB 4.27Å; V48-W68 HydrophobicContact CG2-CE3 3.92Å; V48-D69 WeakPolarHBondContact CA-O 3.42Å; V48-D69 WeakPolarHBondContact CG2-O 3.37Å; V48-V70 HydrophobicContact CG2-CG2 4.08Å; V48-Y83 HydrophobicContact CB-CE1 4.26Å; V48-Y83 HydrophobicContact CB-CE2 4.21Å; V48-Y83 HydrophobicContact CG1-CD1 4.13Å; V48-Y83 HydrophobicContact CG1-CE1 3.53Å; V48-Y83 HydrophobicContact CG1-CE2 4.24Å
49E93.9Very high89.7Confident90 Ų9082.7 Ų82.742%0.42143%0.425SS..EExtended strand (participates in β ladder)trans-105.3137.5171.6-68.2-65.1154.800109.3T45 Y51 D69T45-E49 HydrophobicContact CG2-CB 4.3Å; T45-E49 HydrophobicContact CG2-CG 3.57Å; E49-Y51 HydrophobicContact CB-CE2 3.78Å; E49-D69 HydrophobicContact CB-CB 4.27Å; E49-D69 PolarHBondContact N-O 2.83Å; E49-D69 PolarHBondContact O-N 3.43Å
50F94.6Very high89Confident105 Ų10585.6 Ų85.646%0.46144%0.44SS..EExtended strand (participates in β ladder)trans-109.3129-179173.5-96.1000110.5A52 Q66 W68F50-A52 HydrophobicContact CE1-CB 4Å; F50-A52 HydrophobicContact CZ-CB 4.08Å; F50-Q66 HydrophobicContact CE2-CB 3.86Å; F50-Q66 HydrophobicContact CE2-CG 4.04Å; F50-Q66 HydrophobicContact CZ-CB 4.35Å; F50-Q66 HydrophobicContact CZ-CG 4.09Å; F50-W68 HydrophobicContact CD2-CD2 4.36Å; F50-W68 AromaticContact CD2-CE2 3.96Å; F50-W68 HydrophobicContact CD2-CZ2 4.22Å; F50-W68 HydrophobicContact CE2-CZ2 4.43Å
51Y96.8Very high88.8Confident35 Ų3580.7 Ų80.714%0.13742%0.418CS..EExtended strand (participates in β ladder)trans-124.7144.9173.2-53.3-86.3000110C30 L31 I34 E49 I67 D69C30-Y51 HydrophobicContact CB-CD2 4Å; C30-Y51 HydrophobicContact CB-CE2 3.88Å; L31-Y51 HydrophobicContact CD2-CE1 3.91Å; I34-Y51 HydrophobicContact CG1-CD1 4.35Å; I34-Y51 HydrophobicContact CG1-CG 4.22Å; E49-Y51 HydrophobicContact CB-CE2 3.78Å; Y51-I67 HydrophobicContact CD2-CG2 4.49Å; Y51-I67 PolarHBondContact N-O 3.04Å; Y51-I67 PolarHBondContact O-N 2.94Å; Y51-D69 HydrophobicContact CD2-CB 4.47Å; Y51-D69 HydrophobicContact CE2-CB 3.94Å
52A95Very high88.9Confident67 Ų6780 Ų8055%0.55440%0.403SS*.EExtended strand (participates in β ladder)trans-125.3135.2173.200000110F50 L65F50-A52 HydrophobicContact CE1-CB 4Å; F50-A52 HydrophobicContact CZ-CB 4.08Å; A52-L65 VanDerWaalsContact CA-O 3.3Å; A52-L65 WeakPolarHBondContact CA-O 3.41Å
53K95.1Very high89.2Confident73 Ų7373.9 Ų73.932%0.31738%0.379SS..EExtended strand (participates in β ladder)trans-148.9125.2173.3176.3162.2180165.20110.6F33 I34 L65F33-K53 HydrophobicContact CD1-CD 4.31Å; F33-K53 HydrophobicContact CE1-CB 4.35Å; F33-K53 HydrophobicContact CE1-CD 3.91Å; F33-K53 HydrophobicContact CE1-CG 4.35Å; F33-K53 HydrophobicContact CZ-CD 4.12Å; F33-K53 PolarHBondContact O-NZ 2.87Å; I34-K53 HydrophobicContact CD1-CB 3.47Å; I34-K53 VanDerWaalsContact CD1-CB 3.47Å; I34-K53 HydrophobicContact CD1-CD 4.02Å; I34-K53 HydrophobicContact CD1-CG 4.4Å; I34-K53 PolarHBondContact O-NZ 3.11Å; K53-L65 PolarHBondContact N-O 3.26Å; K53-L65 WeakPolarHBondContact O-CB 3.43Å; K53-L65 PolarHBondContact O-N 3.43Å
54T93.4Very high89.5Confident77 Ų7766 Ų6647%0.47234%0.344SS..EExtended strand (participates in β ladder)trans-76.6124.3169.3-57.80000109.2E11 V63E11-T54 WeakPolarHBondContact OE1-CG2 3.46Å; E11-T54 PolarHBondContact OE1-OG1 3.07Å; T54-V63 CarbonylContact C-O 3.57Å; T54-V63 WeakPolarHBondContact CA-O 3.33Å
55Q89.8Confident89.9Confident27 Ų2763.2 Ų63.213%0.12633%0.326CS..EExtended strand (participates in β ladder)trans-111.1136.5174.1-176.5171.949.700109V63 L65Q55-V63 PolarHBondContact N-O 3.38Å; Q55-V63 PolarHBondContact O-N 3.43Å; Q55-L65 HydrophobicContact CB-CD1 4.2Å
56R87.9Confident90.4Very high157 Ų15765 Ų6559%0.59233%0.332SS*.EExtended strand (participates in β ladder)trans-88.1134.4173.3-158.1178.2-175.5133.4-1.1109.2N59 M61R56-N59 VanDerWaalsContact CZ-O 3.27Å; R56-N59 VanDerWaalsContact NE-C 3.3Å; R56-N59 PolarHBondContact NE-O 2.84Å; R56-N59 PolarHBondContact NH2-O 2.95Å; R56-M61 CarbonylContact C-O 3.59Å; R56-M61 WeakPolarHBondContact CA-O 3.37Å
57L87.2Confident91Very high2 Ų256.8 Ų56.81%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-125.4133179.3-17456.2000110.1N59 Q60 M61 V63 L173 S177 L180 V182 P184L57-N59 PolarHBondContact O-N 2.83Å; L57-N59 VanDerWaalsContact O-N 3.13Å; L57-Q60 PolarHBondContact O-N 3.11Å; L57-M61 HydrophobicContact CB-CE 4.28Å; L57-M61 HydrophobicContact CD2-CE 3.77Å; L57-M61 HydrophobicContact CG-CE 4.28Å; L57-M61 PolarHBondContact N-O 2.88Å; L57-M61 PolarHBondContact O-N 3.27Å; L57-V63 HydrophobicContact CB-CG2 4.47Å; L57-L173 HydrophobicContact CD1-CD1 3.63Å; L57-S177 VanDerWaalsContact CD1-OG 3.27Å; L57-S177 WeakPolarHBondContact CD1-OG 3.45Å; L57-L180 HydrophobicContact CD2-CD1 4.13Å; L57-V182 HydrophobicContact CD2-CG2 3.28Å; L57-V182 HydrophobicContact CG-CG2 4.01Å; L57-P184 HydrophobicContact CD1-CB 4.09Å
58N85.4Confident91.5Very high52 Ų5258.8 Ų58.828%0.27829%0.294SS..THydrogen-bonded Turntrans50.629.9-173.7-67.2-19.6000114.2Q60 L183 P184 H185 E188N58-Q60 WeakPolarHBondContact O-CG 3.3Å; N58-Q60 PolarHBondContact O-N 3.39Å; N58-L183 PolarHBondContact ND2-O 3.22Å; N58-L183 PolarHBondContact OD1-O 3.02Å; N58-L183 VanDerWaalsContact OD1-O 3.08Å; N58-P184 WeakPolarHBondContact OD1-CA 3.44Å; N58-H185 PolarHBondContact OD1-N 3.1Å; N58-E188 WeakPolarHBondContact CA-OE1 3.46Å; N58-E188 PolarHBondContact N-OE1 2.94Å; N58-E188 PolarHBondContact N-OE2 2.8Å
59N77.6Confident91.6Very high97 Ų9757.1 Ų57.152%0.51928%0.283SS..THydrogen-bonded Turntrans53.27-173.5-66.8-26.5000116.3R56 L57 E188R56-N59 VanDerWaalsContact CZ-O 3.27Å; R56-N59 VanDerWaalsContact NE-C 3.3Å; R56-N59 PolarHBondContact NE-O 2.84Å; R56-N59 PolarHBondContact NH2-O 2.95Å; L57-N59 PolarHBondContact O-N 2.83Å; L57-N59 VanDerWaalsContact O-N 3.13Å; N59-E188 PolarHBondContact N-OE1 3.3Å
60Q78.7Confident91.6Very high180 Ų18052.8 Ų52.884%0.84126%0.263SS*.THydrogen-bonded Turntrans-121.4-33.4-172.9-71.2178.4-2.300112.5L57 N58L57-Q60 PolarHBondContact O-N 3.11Å; N58-Q60 WeakPolarHBondContact O-CG 3.3Å; N58-Q60 PolarHBondContact O-N 3.39Å
61M85.6Confident91.2Very high52 Ų5247.8 Ų47.826%0.25624%0.242SC..EExtended strand (participates in β ladder)trans-110.8125.6-174.1-17517155.500110.7R56 L57 V63 L180 V182R56-M61 CarbonylContact C-O 3.59Å; R56-M61 WeakPolarHBondContact CA-O 3.37Å; L57-M61 HydrophobicContact CB-CE 4.28Å; L57-M61 HydrophobicContact CD2-CE 3.77Å; L57-M61 HydrophobicContact CG-CE 4.28Å; L57-M61 PolarHBondContact N-O 2.88Å; L57-M61 PolarHBondContact O-N 3.27Å; M61-V63 HydrophobicContact CE-CG2 3.95Å; M61-V63 HydrophobicContact CG-CG2 3.95Å; M61-V63 HydrophobicContact SD-CG2 4.3Å; M61-L180 HydrophobicContact CE-CD1 3.61Å; M61-L180 HydrophobicContact SD-CD1 4.41Å; M61-V182 HydrophobicContact CE-CG1 4.48Å; M61-V182 HydrophobicContact CE-CG2 4.29Å
62S90.2Very high90.3Very high54 Ų5446.5 Ų46.538%0.37824%0.239SC..EExtended strand (participates in β ladder)trans-88.5128.6166.5-70.70000109.6
63V93.3Very high89.7Confident2 Ų251.1 Ų51.11%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-123.1119-179.5-176.40000108.4R12 L14 T54 Q55 L57 M61 L65 L180R12-V63 CarbonylContact O-C 3.56Å; R12-V63 WeakPolarHBondContact O-CA 3.28Å; L14-V63 HydrophobicContact CD1-CG1 3.71Å; L14-V63 HydrophobicContact CG-CG1 3.69Å; T54-V63 CarbonylContact C-O 3.57Å; T54-V63 WeakPolarHBondContact CA-O 3.33Å; Q55-V63 PolarHBondContact N-O 3.38Å; Q55-V63 PolarHBondContact O-N 3.43Å; L57-V63 HydrophobicContact CB-CG2 4.47Å; M61-V63 HydrophobicContact CE-CG2 3.95Å; M61-V63 HydrophobicContact CG-CG2 3.95Å; M61-V63 HydrophobicContact SD-CG2 4.3Å; V63-L65 HydrophobicContact CG1-CD2 4.03Å; V63-L65 PolarHBondContact O-N 2.89Å; V63-L180 HydrophobicContact CB-CD1 4.4Å; V63-L180 HydrophobicContact CG1-CD1 3.97Å; V63-L180 HydrophobicContact CG2-CD1 3.51Å
64G95.2Very high89.1Confident5 Ų549.4 Ų49.45%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-80.8106.6175.500000110.9R12 H13 L14R12-G64 PolarHBondContact O-N 2.84Å; H13-G64 CarbonylContact C-O 3.52Å; H13-G64 WeakPolarHBondContact CA-O 3.39Å; L14-G64 PolarHBondContact N-O 2.93Å
65L97Very high88.5Confident1 Ų147.8 Ų47.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-84.3121.9174.8-58.3-178.7000110.2L14 F33 A52 K53 Q55 V63 I67 F172 A176L14-L65 HydrophobicContact CB-CD2 3.98Å; L14-L65 HydrophobicContact CD1-CD2 4.06Å; L14-L65 HydrophobicContact CG-CD2 4.39Å; F33-L65 HydrophobicContact CE1-CD1 3.9Å; F33-L65 HydrophobicContact CZ-CD1 3.82Å; A52-L65 VanDerWaalsContact CA-O 3.3Å; A52-L65 WeakPolarHBondContact CA-O 3.41Å; K53-L65 PolarHBondContact N-O 3.26Å; K53-L65 WeakPolarHBondContact O-CB 3.43Å; K53-L65 PolarHBondContact O-N 3.43Å; Q55-L65 HydrophobicContact CB-CD1 4.2Å; V63-L65 HydrophobicContact CG1-CD2 4.03Å; V63-L65 PolarHBondContact O-N 2.89Å; L65-I67 HydrophobicContact CB-CD1 4.28Å; L65-I67 HydrophobicContact CB-CG1 4.32Å; L65-F172 HydrophobicContact CD1-CB 4.29Å; L65-F172 HydrophobicContact CD1-CD1 4.39Å; L65-A176 HydrophobicContact CD2-CB 3.97Å
66Q97.2Very high88.1Confident63 Ų6354.8 Ų54.829%0.29426%0.259SS..EExtended strand (participates in β ladder)trans-101.9104.3171.9-70.2-176.8-7.500108.7L14 V16 F50L14-Q66 PolarHBondContact O-N 2.83Å; V16-Q66 PolarHBondContact N-O 2.87Å; F50-Q66 HydrophobicContact CE2-CB 3.86Å; F50-Q66 HydrophobicContact CE2-CG 4.04Å; F50-Q66 HydrophobicContact CZ-CB 4.35Å; F50-Q66 HydrophobicContact CZ-CG 4.09Å
67I97.9Very high87.8Confident0 Ų048.8 Ų48.80%024%0.241CC..EExtended strand (participates in β ladder)trans-103.8119.4-171.3-65.8162.6000109.6V16 L18 F33 I34 Y51 L65 F172V16-I67 HydrophobicContact CB-CG1 4.34Å; V16-I67 CarbonylContact O-C 3.5Å; V16-I67 WeakPolarHBondContact O-CA 3.32Å; L18-I67 HydrophobicContact CD1-CG2 3.53Å; F33-I67 HydrophobicContact CD1-CD1 3.58Å; F33-I67 HydrophobicContact CE1-CD1 3.62Å; I34-I67 HydrophobicContact CD1-CD1 3.88Å; Y51-I67 HydrophobicContact CD2-CG2 4.49Å; Y51-I67 PolarHBondContact N-O 3.04Å; Y51-I67 PolarHBondContact O-N 2.94Å; L65-I67 HydrophobicContact CB-CD1 4.28Å; L65-I67 HydrophobicContact CB-CG1 4.32Å; I67-F172 HydrophobicContact CD1-CD1 3.97Å; I67-F172 HydrophobicContact CD1-CE1 3.47Å; I67-F172 VanDerWaalsContact CD1-CE1 3.47Å; I67-F172 HydrophobicContact CD1-CZ 3.97Å; I67-F172 HydrophobicContact CG1-CD1 4.48Å; I67-F172 HydrophobicContact CG1-CE1 3.84Å; I67-F172 HydrophobicContact CG2-CE1 4.42Å
68W96.9Very high87.6Confident60 Ų6053.6 Ų53.623%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-105.8101.8-179.3-63.170.7000109.2V16 V17 L18 V48 F50 V70 Y83V16-W68 PolarHBondContact O-N 3.48Å; V17-W68 HydrophobicContact CB-CB 4.43Å; V17-W68 HydrophobicContact CG1-CB 4.28Å; V17-W68 HydrophobicContact CG2-CB 4.18Å; V17-W68 HydrophobicContact CG2-CG 4.43Å; L18-W68 PolarHBondContact N-O 3.39Å; V48-W68 HydrophobicContact CG2-CB 4.27Å; V48-W68 HydrophobicContact CG2-CE3 3.92Å; F50-W68 HydrophobicContact CD2-CD2 4.36Å; F50-W68 AromaticContact CD2-CE2 3.96Å; F50-W68 HydrophobicContact CD2-CZ2 4.22Å; F50-W68 HydrophobicContact CE2-CZ2 4.43Å; W68-V70 PolarHBondContact O-N 3Å; W68-Y83 HydrophobicContact CE3-CD1 4.1Å; W68-Y83 AromaticContact CZ3-CD1 4Å; W68-Y83 HydrophobicContact CZ3-CD1 4Å; W68-Y83 HydrophobicContact CZ3-CE1 4.46Å
69D95.8Very high87.6Confident0 Ų054.3 Ų54.30%028%0.277CS..EExtended strand (participates in β ladder)trans-86102.2175.6177.627.3000110.1K26 T27 V48 E49 Y51K26-D69 WeakPolarHBondContact CB-OD1 3.4Å; T27-D69 VanDerWaalsContact CA-OD2 3.24Å; T27-D69 WeakPolarHBondContact CA-OD2 3.31Å; T27-D69 VanDerWaalsContact CB-OD2 3.25Å; T27-D69 WeakPolarHBondContact CB-OD2 3.49Å; T27-D69 PolarHBondContact OG1-OD2 3.25Å; V48-D69 WeakPolarHBondContact CA-O 3.42Å; V48-D69 WeakPolarHBondContact CG2-O 3.37Å; E49-D69 HydrophobicContact CB-CB 4.27Å; E49-D69 PolarHBondContact N-O 2.83Å; E49-D69 PolarHBondContact O-N 3.43Å; Y51-D69 HydrophobicContact CD2-CB 4.47Å; Y51-D69 HydrophobicContact CE2-CB 3.94Å
70V92.2Very high88Confident0 Ų049.7 Ų49.70%025%0.253CS..EExtended strand (participates in β ladder)trans-88.9124.1-176.3-178.30000110.2V17 L18 L19 K26 V48 W68 G72 Q74 L80V17-V70 HydrophobicContact CG1-CG2 3.77Å; L18-V70 WeakPolarHBondContact O-CB 3.37Å; L18-V70 PolarHBondContact O-N 2.86Å; L19-V70 HydrophobicContact CD2-CB 3.98Å; L19-V70 HydrophobicContact CD2-CG1 4.26Å; L19-V70 HydrophobicContact CD2-CG2 3.92Å; K26-V70 WeakPolarHBondContact CE-O 3.35Å; V48-V70 HydrophobicContact CG2-CG2 4.08Å; W68-V70 PolarHBondContact O-N 3Å; V70-G72 PolarHBondContact O-N 3.16Å; V70-Q74 HydrophobicContact CG1-CB 3.68Å; V70-Q74 HydrophobicContact CG1-CG 4.15Å; V70-L80 HydrophobicContact CG1-CD1 4.08Å
71G88Confident88.5Confident0 Ų045.1 Ų45.10%023%0.234CC..  trans-60.8137.9174.700000111.9G47 K73 Q74G47-G71 PolarHBondContact O-N 3.4Å; G71-K73 PolarHBondContact O-N 3.23Å; G71-K73 VanDerWaalsContact O-N 3.08Å; G71-Q74 VanDerWaalsContact O-CB 3.25Å; G71-Q74 WeakPolarHBondContact O-CB 3.43Å; G71-Q74 WeakPolarHBondContact O-CG 3.18Å; G71-Q74 PolarHBondContact O-N 3.15Å
72G78Confident88.6Confident8 Ų849.1 Ų49.18%0.08225%0.25CC..G310 helixtrans-59.4-27.5-175.200000114.1V70 Q74 F75V70-G72 PolarHBondContact O-N 3.16Å; G72-Q74 PolarHBondContact O-N 3.4Å; G72-F75 PolarHBondContact O-N 2.99Å
73K81.6Confident88.6Confident164 Ų16448.1 Ų48.171%0.71324%0.238SC*.G310 helixtrans-67.5-14174.1-65.1-174.3177.4-179.10113.8G71 F75G71-K73 PolarHBondContact O-N 3.23Å; G71-K73 VanDerWaalsContact O-N 3.08Å; K73-F75 PolarHBondContact O-N 3.29Å
74Q82.2Confident88.6Confident36 Ų3648.1 Ų48.117%0.16824%0.238CC..G310 helixtrans-78.8-1.7177.7-61-60.9-51.500113.2G47 V70 G71 G72 E76 S77G47-Q74 WeakPolarHBondContact O-CG 3.27Å; V70-Q74 HydrophobicContact CG1-CB 3.68Å; V70-Q74 HydrophobicContact CG1-CG 4.15Å; G71-Q74 VanDerWaalsContact O-CB 3.25Å; G71-Q74 WeakPolarHBondContact O-CB 3.43Å; G71-Q74 WeakPolarHBondContact O-CG 3.18Å; G71-Q74 PolarHBondContact O-N 3.15Å; G72-Q74 PolarHBondContact O-N 3.4Å; Q74-E76 PolarHBondContact O-N 2.99Å; Q74-E76 VanDerWaalsContact O-N 3.16Å; Q74-S77 VanDerWaalsContact O-CB 3.27Å; Q74-S77 WeakPolarHBondContact O-CB 3.47Å; Q74-S77 PolarHBondContact O-N 3.32Å; Q74-S77 PolarHBondContact OE1-OG 3.29Å
75F81.8Confident88.3Confident43 Ų4352.3 Ų52.319%0.18926%0.258CS..G310 helixtrans-51.7-38.4177.8-177.8-103.2000113.2G72 K73 D107 W108 L111G72-F75 PolarHBondContact O-N 2.99Å; K73-F75 PolarHBondContact O-N 3.29Å; F75-D107 HydrophobicContact CE2-CB 4.11Å; F75-D107 HydrophobicContact CZ-CB 3.77Å; F75-W108 HydrophobicContact CB-CH2 3.6Å; F75-W108 HydrophobicContact CB-CZ2 3.66Å; F75-W108 HydrophobicContact CB-CZ3 4.33Å; F75-W108 AromaticContact CD2-CD2 3.58Å; F75-W108 HydrophobicContact CD2-CD2 3.58Å; F75-W108 AromaticContact CD2-CE2 3.48Å; F75-W108 VanDerWaalsContact CD2-CE2 3.48Å; F75-W108 AromaticContact CD2-CE3 3.64Å; F75-W108 HydrophobicContact CD2-CE3 3.64Å; F75-W108 HydrophobicContact CD2-CG 4.35Å; F75-W108 AromaticContact CD2-CH2 3.63Å; F75-W108 HydrophobicContact CD2-CH2 3.63Å; F75-W108 AromaticContact CD2-CZ2 3.52Å; F75-W108 HydrophobicContact CD2-CZ2 3.52Å; F75-W108 AromaticContact CD2-CZ3 3.67Å; F75-W108 HydrophobicContact CD2-CZ3 3.67Å; F75-W108 AromaticContact CE2-CD2 3.94Å; F75-W108 HydrophobicContact CE2-CD2 3.94Å; F75-W108 HydrophobicContact CE2-CE3 4.12Å; F75-W108 HydrophobicContact CE2-CG 4.3Å; F75-W108 HydrophobicContact CG-CH2 4.11Å; F75-W108 HydrophobicContact CG-CZ2 4.01Å; F75-W108 HydrophobicContact CG-CZ3 4.49Å; F75-L111 HydrophobicContact CE2-CD1 4.3Å
76E80.1Confident88.1Confident174 Ų17453.2 Ų53.281%0.81327%0.269SS*.G310 helixtrans-99.52.4-178.7-57.9180175.700112.9Q74Q74-E76 PolarHBondContact O-N 2.99Å; Q74-E76 VanDerWaalsContact O-N 3.16Å
77S82.2Confident88Confident32 Ų3250.3 Ų50.322%0.22426%0.255CS..  trans-76.1135-177.1-179.40000110.8Q74 M79 L80Q74-S77 VanDerWaalsContact O-CB 3.27Å; Q74-S77 WeakPolarHBondContact O-CB 3.47Å; Q74-S77 PolarHBondContact O-N 3.32Å; Q74-S77 PolarHBondContact OE1-OG 3.29Å; S77-M79 PolarHBondContact O-N 3.13Å; S77-M79 PolarHBondContact OG-N 2.91Å; S77-L80 WeakPolarHBondContact O-CB 3.25Å; S77-L80 PolarHBondContact O-N 2.89Å; S77-L80 VanDerWaalsContact O-N 3.1Å
78S81.7Confident87.9Confident102 Ų10251.1 Ų51.171%0.71326%0.259SS*.THydrogen-bonded Turntrans-61.9-12.4170.957.40000113.6
79M85.5Confident87.9Confident67 Ų6748.2 Ų48.233%0.3325%0.248SC..THydrogen-bonded Turntrans-83.7-17177.2-66.9-67-72.400113.4S77 D81 K82 Y83S77-M79 PolarHBondContact O-N 3.13Å; S77-M79 PolarHBondContact OG-N 2.91Å; M79-D81 PolarHBondContact O-N 2.75Å; M79-K82 HydrophobicContact CE-CD 4.01Å; M79-K82 WeakPolarHBondContact O-CB 3.46Å; M79-K82 PolarHBondContact O-N 3.13Å; M79-K82 HydrophobicContact SD-CD 3.91Å; M79-Y83 HydrophobicContact CB-CE2 3.81Å; M79-Y83 WeakPolarHBondContact O-CD2 3.49Å; M79-Y83 PolarHBondContact O-N 3.28Å
80L86.7Confident88Confident1 Ų148.3 Ų48.31%0.00525%0.249CC..Hα-helixtrans-57.7-37.5-176.9-178.758.8000112.1L19 V70 S77 K82 Y83 V84 W108 L111L19-L80 HydrophobicContact CD2-CD1 3.92Å; V70-L80 HydrophobicContact CG1-CD1 4.08Å; S77-L80 WeakPolarHBondContact O-CB 3.25Å; S77-L80 PolarHBondContact O-N 2.89Å; S77-L80 VanDerWaalsContact O-N 3.1Å; L80-K82 VanDerWaalsContact C-N 3.27Å; L80-K82 PolarHBondContact O-N 3.22Å; L80-Y83 PolarHBondContact O-N 3.46Å; L80-V84 HydrophobicContact CD1-CG2 4.01Å; L80-V84 HydrophobicContact CG-CG2 4.33Å; L80-V84 WeakPolarHBondContact O-CG2 3.42Å; L80-V84 PolarHBondContact O-N 3.33Å; L80-W108 HydrophobicContact CD1-CZ3 4.08Å; L80-W108 HydrophobicContact CD2-CE3 4.42Å; L80-W108 HydrophobicContact CD2-CH2 4.46Å; L80-W108 HydrophobicContact CD2-CZ3 3.66Å; L80-L111 HydrophobicContact CD2-CD1 3.48Å; L80-L111 VanDerWaalsContact CD2-CD1 3.48Å; L80-L111 HydrophobicContact CD2-CD2 3.58Å; L80-L111 HydrophobicContact CD2-CG 4.2Å; L80-L111 HydrophobicContact CG-CD2 3.98Å
81D88.6Confident88.3Confident83 Ų8348.3 Ų48.344%0.44425%0.249SC..Hα-helixtrans-54.8-44.1176.9-62.86.4000111.6M79 Y83 V84 L85 L115M79-D81 PolarHBondContact O-N 2.75Å; D81-Y83 VanDerWaalsContact C-N 3.33Å; D81-Y83 PolarHBondContact O-N 2.83Å; D81-V84 PolarHBondContact O-N 3.08Å; D81-L85 WeakPolarHBondContact O-CB 3.4Å; D81-L85 PolarHBondContact O-N 2.83Å; D81-L115 HydrophobicContact CB-CD1 4.4Å; D81-L115 HydrophobicContact CB-CD2 3.96Å; D81-L115 VanDerWaalsContact CG-CD2 3.45Å; D81-L115 WeakPolarHBondContact OD1-CD2 3.41Å
82K88.6Confident88.8Confident136 Ų13648.3 Ų48.359%0.59125%0.249SC*.Hα-helixtrans-69-31.2179.2-62.3178-175173.90112.5M79 L80M79-K82 HydrophobicContact CE-CD 4.01Å; M79-K82 WeakPolarHBondContact O-CB 3.46Å; M79-K82 PolarHBondContact O-N 3.13Å; M79-K82 HydrophobicContact SD-CD 3.91Å; L80-K82 VanDerWaalsContact C-N 3.27Å; L80-K82 PolarHBondContact O-N 3.22Å
83Y90.3Very high89.8Confident33 Ų3347.9 Ų47.913%0.12925%0.245CC..Hα-helixtrans-74.1-38.9177.9-56.3-38.6000111.5K15 V17 V48 W68 M79 L80 D81K15-Y83 WeakPolarHBondContact CE-O 3.3Å; K15-Y83 PolarHBondContact NZ-O 2.69Å; V17-Y83 WeakPolarHBondContact CG2-O 3.37Å; V48-Y83 HydrophobicContact CB-CE1 4.26Å; V48-Y83 HydrophobicContact CB-CE2 4.21Å; V48-Y83 HydrophobicContact CG1-CD1 4.13Å; V48-Y83 HydrophobicContact CG1-CE1 3.53Å; V48-Y83 HydrophobicContact CG1-CE2 4.24Å; W68-Y83 HydrophobicContact CE3-CD1 4.1Å; W68-Y83 AromaticContact CZ3-CD1 4Å; W68-Y83 HydrophobicContact CZ3-CD1 4Å; W68-Y83 HydrophobicContact CZ3-CE1 4.46Å; M79-Y83 HydrophobicContact CB-CE2 3.81Å; M79-Y83 WeakPolarHBondContact O-CD2 3.49Å; M79-Y83 PolarHBondContact O-N 3.28Å; L80-Y83 PolarHBondContact O-N 3.46Å; D81-Y83 VanDerWaalsContact C-N 3.33Å; D81-Y83 PolarHBondContact O-N 2.83Å
84V92.1Very high90.6Very high2 Ų240.1 Ų40.11%0.01221%0.211CC..Hα-helixtrans-80.1-33.2-178.3176.40000112.7L19 L80 D81 G86 A87 I90 V112 L115L19-V84 HydrophobicContact CD1-CG2 4.1Å; L19-V84 HydrophobicContact CD2-CG2 4.48Å; L80-V84 HydrophobicContact CD1-CG2 4.01Å; L80-V84 HydrophobicContact CG-CG2 4.33Å; L80-V84 WeakPolarHBondContact O-CG2 3.42Å; L80-V84 PolarHBondContact O-N 3.33Å; D81-V84 PolarHBondContact O-N 3.08Å; V84-G86 PolarHBondContact O-N 2.9Å; V84-A87 WeakPolarHBondContact O-CB 3.27Å; V84-A87 PolarHBondContact O-N 2.89Å; V84-A87 VanDerWaalsContact O-N 3.11Å; V84-I90 HydrophobicContact CG1-CD1 4.23Å; V84-V112 HydrophobicContact CG1-CG2 4.19Å; V84-L115 HydrophobicContact CB-CD1 3.77Å; V84-L115 HydrophobicContact CG1-CB 4.31Å; V84-L115 HydrophobicContact CG1-CD1 3.9Å; V84-L115 HydrophobicContact CG2-CD1 4.18Å
85L90.7Very high91.4Very high93 Ų9338.9 Ų38.949%0.48721%0.205SC..THydrogen-bonded Turntrans-56.6135.5-179.4-166.874.9000111.8K15 D81 A87 E119K15-L85 PolarHBondContact NZ-O 3.49Å; D81-L85 WeakPolarHBondContact O-CB 3.4Å; D81-L85 PolarHBondContact O-N 2.83Å; L85-A87 PolarHBondContact O-N 3.4Å; L85-E119 HydrophobicContact CD1-CG 4.02Å; L85-E119 WeakPolarHBondContact CD1-OE1 3.25Å; L85-E119 VanDerWaalsContact CG-OE1 3.28Å; L85-E119 WeakPolarHBondContact CG-OE1 3.23Å
86G91.4Very high92.2Very high21 Ų2136.8 Ų36.822%0.21620%0.196CC..THydrogen-bonded Turntrans67.214.7-178.100000115.3V84 E119V84-G86 PolarHBondContact O-N 2.9Å; G86-E119 PolarHBondContact N-OE1 2.67Å
87A95.4Very high93Very high1 Ų130.3 Ų30.31%0.00817%0.168CC..  trans-66.2134.6173.200000111.2V17 V84 L85 I90 V124V17-A87 HydrophobicContact CG2-CB 3.76Å; V84-A87 WeakPolarHBondContact O-CB 3.27Å; V84-A87 PolarHBondContact O-N 2.89Å; V84-A87 VanDerWaalsContact O-N 3.11Å; L85-A87 PolarHBondContact O-N 3.4Å; A87-I90 HydrophobicContact CB-CD1 3.6Å; A87-I90 HydrophobicContact CB-CG1 4.5Å; A87-V124 WeakPolarHBondContact O-CG2 3.34Å
88D95.7Very high93.8Very high17 Ų1732.1 Ų32.19%0.09118%0.176CC..SBendtrans-79.4-37.2169.8-71.3-66.6000111.7L14 K15 R122 Q125 V179L14-D88 WeakPolarHBondContact CA-OD2 3.32Å; L14-D88 HydrophobicContact CB-CB 4.36Å; L14-D88 HydrophobicContact CD2-CB 4.41Å; K15-D88 PolarHBondContact N-OD2 3.48Å; K15-D88 WeakPolarHBondContact O-CB 3.4Å; K15-D88 PolarHBondContact O-N 3.3Å; D88-R122 IonicContact OD1-CZ 3.31Å; D88-R122 VanDerWaalsContact OD1-CZ 3.31Å; D88-R122 IonicContact OD1-NE 2.79Å; D88-R122 PolarHBondContact OD1-NE 2.93Å; D88-R122 IonicContact OD1-NH2 2.63Å; D88-R122 PolarHBondContact OD1-NH2 3.36Å; D88-R122 IonicContact OD2-NH2 3.23Å; D88-R122 PolarHBondContact OD2-NH2 2.89Å; D88-Q125 PolarHBondContact O-N 2.69Å; D88-V179 HydrophobicContact CB-CG1 3.88Å; D88-V179 HydrophobicContact CB-CG2 4.36Å
89A97.6Very high94.5Very high0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-140.4145.1177.600000112.2K15 V16 V17 Q125 T175 V179K15-A89 PolarHBondContact O-N 3.05Å; K15-A89 VanDerWaalsContact O-N 3.1Å; V16-A89 WeakPolarHBondContact CA-O 2.99Å; V16-A89 HydrophobicContact CG1-CB 4.39Å; V16-A89 HydrophobicContact CG2-CB 4.34Å; V17-A89 PolarHBondContact N-O 3.04Å; A89-Q125 CarbonylContact C-O 3.54Å; A89-Q125 WeakPolarHBondContact CA-O 3.31Å; A89-Q125 HydrophobicContact CB-CB 4.1Å; A89-T175 HydrophobicContact CB-CG2 3.4Å; A89-T175 VanDerWaalsContact CB-CG2 3.4Å; A89-V179 HydrophobicContact CB-CG2 3.97Å
90I97.9Very high95.1Very high1 Ų130.7 Ų30.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-115128.7169.2-55.6-61.6000108.9V17 L19 V84 A87 F92 V112 V124 Q125 L126 T127V17-I90 HydrophobicContact CB-CD1 3.71Å; V17-I90 HydrophobicContact CG1-CD1 4.47Å; V17-I90 HydrophobicContact CG2-CD1 4.14Å; V17-I90 WeakPolarHBondContact O-CA 3.18Å; L19-I90 HydrophobicContact CD1-CG2 3.81Å; L19-I90 HydrophobicContact CG-CG2 4.2Å; V84-I90 HydrophobicContact CG1-CD1 4.23Å; A87-I90 HydrophobicContact CB-CD1 3.6Å; A87-I90 HydrophobicContact CB-CG1 4.5Å; I90-F92 HydrophobicContact CB-CE2 4.38Å; I90-F92 HydrophobicContact CB-CZ 4.36Å; I90-F92 HydrophobicContact CG2-CD1 4.08Å; I90-F92 HydrophobicContact CG2-CD2 4.21Å; I90-F92 HydrophobicContact CG2-CE1 3.68Å; I90-F92 HydrophobicContact CG2-CE2 3.83Å; I90-F92 HydrophobicContact CG2-CG 4.33Å; I90-F92 HydrophobicContact CG2-CZ 3.55Å; I90-V112 HydrophobicContact CG1-CG1 3.97Å; I90-V112 HydrophobicContact CG1-CG2 4.37Å; I90-V112 HydrophobicContact CG2-CG2 4.24Å; I90-V124 HydrophobicContact CD1-CG1 4.48Å; I90-V124 HydrophobicContact CG1-CG1 3.68Å; I90-Q125 PolarHBondContact N-O 3.37Å; I90-L126 HydrophobicContact CB-CD2 3.95Å; I90-L126 HydrophobicContact CG1-CD2 4.19Å; I90-T127 PolarHBondContact O-N 3.39Å
91I98.6Very high95.6Very high0 Ų030.7 Ų30.70%017%0.168CC..EExtended strand (participates in β ladder)trans-106.3111.1171.2-63.8177.9000108.2V16 V17 L18 L19 F29 T127 V129 F172V16-I91 HydrophobicContact CG1-CD1 3.61Å; V16-I91 HydrophobicContact CG1-CG1 3.95Å; V17-I91 PolarHBondContact O-N 3.45Å; L18-I91 WeakPolarHBondContact CA-O 3.25Å; L18-I91 HydrophobicContact CD1-CD1 4.44Å; L18-I91 HydrophobicContact CG-CB 4.09Å; L18-I91 HydrophobicContact CG-CG2 4.31Å; L19-I91 PolarHBondContact N-O 2.91Å; F29-I91 HydrophobicContact CE1-CD1 4.5Å; I91-T127 CarbonylContact C-O 3.59Å; I91-T127 WeakPolarHBondContact CA-O 3.32Å; I91-V129 HydrophobicContact CG2-CB 4.23Å; I91-V129 HydrophobicContact CG2-CG2 3.57Å; I91-F172 HydrophobicContact CD1-CD1 4.39Å; I91-F172 HydrophobicContact CD1-CE1 4.01Å; I91-F172 HydrophobicContact CD1-CZ 4.45Å
92F98.4Very high96Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-86.4116171.1-63.5-68.1000109.8L19 I90 I105 W108 Y109 V112 L126 T127 L128 V129 M155L19-F92 HydrophobicContact CB-CD1 4.23Å; L19-F92 HydrophobicContact CB-CE1 4.47Å; L19-F92 HydrophobicContact CD1-CE1 4.16Å; L19-F92 CarbonylContact O-C 3.59Å; L19-F92 WeakPolarHBondContact O-CA 3.43Å; I90-F92 HydrophobicContact CB-CE2 4.38Å; I90-F92 HydrophobicContact CB-CZ 4.36Å; I90-F92 HydrophobicContact CG2-CD1 4.08Å; I90-F92 HydrophobicContact CG2-CD2 4.21Å; I90-F92 HydrophobicContact CG2-CE1 3.68Å; I90-F92 HydrophobicContact CG2-CE2 3.83Å; I90-F92 HydrophobicContact CG2-CG 4.33Å; I90-F92 HydrophobicContact CG2-CZ 3.55Å; F92-I105 HydrophobicContact CB-CD1 4.22Å; F92-I105 HydrophobicContact CB-CG2 3.92Å; F92-I105 HydrophobicContact CG-CG2 4.21Å; F92-W108 HydrophobicContact CD1-CB 3.8Å; F92-W108 HydrophobicContact CE1-CB 3.75Å; F92-Y109 HydrophobicContact CE2-CD2 4.28Å; F92-Y109 HydrophobicContact CZ-CD2 4.36Å; F92-V112 HydrophobicContact CE1-CG2 3.9Å; F92-V112 HydrophobicContact CZ-CB 4.11Å; F92-V112 HydrophobicContact CZ-CG1 4.43Å; F92-V112 HydrophobicContact CZ-CG2 3.81Å; F92-L126 HydrophobicContact CE2-CB 4.41Å; F92-L126 HydrophobicContact CE2-CD2 4.09Å; F92-T127 PolarHBondContact N-O 2.97Å; F92-L128 HydrophobicContact CB-CD1 4.11Å; F92-V129 PolarHBondContact O-N 3.28Å; F92-M155 HydrophobicContact CD2-CE 3.67Å; F92-M155 HydrophobicContact CD2-SD 3.93Å; F92-M155 HydrophobicContact CE2-CE 3.59Å; F92-M155 HydrophobicContact CE2-SD 4.38Å
93A98.4Very high96.4Very high0 Ų024.7 Ų24.70%014%0.143CC..EExtended strand (participates in β ladder)trans-113.9130.1-174.500000111.9L19 G20 C24 K26 V129 M131L19-A93 PolarHBondContact O-N 2.57Å; G20-A93 WeakPolarHBondContact CA-O 3.47Å; C24-A93 PolarHBondContact SG-O 2.85Å; C24-A93 VanDerWaalsContact SG-O 3.39Å; K26-A93 HydrophobicContact CD-CB 4.24Å; K26-A93 HydrophobicContact CG-CB 3.73Å; A93-V129 WeakPolarHBondContact CA-O 3.24Å; A93-M131 HydrophobicContact CB-CE 3.81Å; A93-M131 HydrophobicContact CB-CG 4.28Å; A93-M131 HydrophobicContact CB-SD 3.77Å
94Y98.6Very high96.7Very high0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-133.4159.1173.275.3-83.4000110.5V96 F102 L128 V129 G130 M131 I141 H146 Q159Y94-V96 HydrophobicContact CE2-CG1 4.11Å; Y94-F102 AromaticContact CD1-CD2 3.71Å; Y94-F102 HydrophobicContact CD1-CD2 3.71Å; Y94-F102 HydrophobicContact CD1-CE2 4.31Å; Y94-F102 HydrophobicContact CD2-CB 3.78Å; Y94-F102 AromaticContact CD2-CD2 3.67Å; Y94-F102 HydrophobicContact CD2-CD2 3.67Å; Y94-F102 HydrophobicContact CD2-CG 4.22Å; Y94-F102 AromaticContact CE1-CD2 3.64Å; Y94-F102 HydrophobicContact CE1-CD2 3.64Å; Y94-F102 AromaticContact CE1-CE2 3.91Å; Y94-F102 HydrophobicContact CE1-CE2 3.91Å; Y94-F102 HydrophobicContact CE2-CB 4.31Å; Y94-F102 AromaticContact CE2-CD2 3.6Å; Y94-F102 HydrophobicContact CE2-CD2 3.6Å; Y94-F102 HydrophobicContact CE2-CE2 4.4Å; Y94-F102 HydrophobicContact CE2-CG 4.38Å; Y94-F102 HydrophobicContact CG-CB 4.09Å; Y94-F102 AromaticContact CG-CD2 3.72Å; Y94-F102 HydrophobicContact CG-CD2 3.72Å; Y94-F102 HydrophobicContact CG-CG 4.42Å; Y94-F102 AromaticContact CZ-CD2 3.58Å; Y94-F102 AromaticContact CZ-CE2 3.97Å; Y94-L128 HydrophobicContact CD1-CD1 4.05Å; Y94-L128 HydrophobicContact CE1-CD1 4.17Å; Y94-L128 HydrophobicContact CE1-CG 4.23Å; Y94-V129 VanDerWaalsContact CD1-O 3.25Å; Y94-V129 WeakPolarHBondContact CD1-O 3.36Å; Y94-V129 PolarHBondContact N-O 2.83Å; Y94-V129 VanDerWaalsContact N-O 3.08Å; Y94-G130 VanDerWaalsContact CZ-CA 3.48Å; Y94-M131 VanDerWaalsContact O-CB 3.31Å; Y94-M131 WeakPolarHBondContact O-CB 3.48Å; Y94-M131 PolarHBondContact O-N 2.9Å; Y94-I141 HydrophobicContact CD2-CG1 4.48Å; Y94-I141 HydrophobicContact CE2-CB 4.04Å; Y94-I141 HydrophobicContact CE2-CG1 4.15Å; Y94-I141 HydrophobicContact CE2-CG2 3.96Å; Y94-H146 AromaticContact CE1-ND1 3.44Å; Y94-H146 WeakPolarHBondContact CE1-ND1 3.38Å; Y94-H146 AromaticContact CZ-ND1 3.59Å; Y94-H146 PolarHBondContact OH-ND1 2.81Å; Y94-Q159 PolarHBondContact OH-NE2 3.38Å
95D98.4Very high97Very high10 Ų1026.3 Ų26.35%0.05315%0.148CC..EExtended strand (participates in β ladder)trans-91.3125.8175.9176.9-12.2000109.7C24 T97 N98 S101 K132C24-D95 HydrophobicContact CB-CB 4.11Å; D95-T97 PolarHBondContact O-N 2.94Å; D95-T97 VanDerWaalsContact O-N 3.14Å; D95-T97 WeakPolarHBondContact OD1-CB 3.35Å; D95-T97 PolarHBondContact OD1-N 3.41Å; D95-T97 PolarHBondContact OD1-OG1 2.99Å; D95-T97 PolarHBondContact OD2-OG1 2.92Å; D95-N98 HydrophobicContact CB-CB 4.05Å; D95-N98 PolarHBondContact O-N 3.35Å; D95-S101 PolarHBondContact N-OG 2.99Å; D95-S101 PolarHBondContact O-OG 3.08Å; D95-K132 WeakPolarHBondContact OD2-CD 3.24Å; D95-K132 VanDerWaalsContact OD2-CE 3.27Å; D95-K132 WeakPolarHBondContact OD2-CE 3.29Å; D95-K132 IonicContact OD2-NZ 2.94Å; D95-K132 PolarHBondContact OD2-NZ 3Å
96V98.6Very high97.2Very high0 Ų025.9 Ų25.90%014%0.143CC..THydrogen-bonded Turntrans-62.3-21.6-178.1-61.30000113.7Y94 M131 K132 A140 I141 Q159Y94-V96 HydrophobicContact CE2-CG1 4.11Å; V96-M131 WeakPolarHBondContact CG1-O 3.42Å; V96-M131 WeakPolarHBondContact CG2-O 3.44Å; V96-M131 PolarHBondContact N-O 2.76Å; V96-K132 VanDerWaalsContact CG2-O 3.25Å; V96-K132 WeakPolarHBondContact CG2-O 3.35Å; V96-A140 PolarHBondContact O-N 3.14Å; V96-I141 PolarHBondContact O-N 3.44Å; V96-I141 VanDerWaalsContact O-N 3.16Å; V96-Q159 VanDerWaalsContact CG1-OE1 3.3Å
97T98.2Very high97.4Very high37 Ų3727.2 Ų27.223%0.22715%0.145CC..THydrogen-bonded Turntrans-87.8-11178.271.90000112.9D95 L135 Q138 A140D95-T97 PolarHBondContact O-N 2.94Å; D95-T97 VanDerWaalsContact O-N 3.14Å; D95-T97 WeakPolarHBondContact OD1-CB 3.35Å; D95-T97 PolarHBondContact OD1-N 3.41Å; D95-T97 PolarHBondContact OD1-OG1 2.99Å; D95-T97 PolarHBondContact OD2-OG1 2.92Å; T97-L135 HydrophobicContact CG2-CB 3.6Å; T97-L135 HydrophobicContact CG2-CD1 3.91Å; T97-L135 HydrophobicContact CG2-CG 4.43Å; T97-Q138 WeakPolarHBondContact CA-O 2.88Å; T97-Q138 HydrophobicContact CG2-CB 3.72Å; T97-A140 WeakPolarHBondContact O-CB 3.21Å
98N97.8Very high97.3Very high70 Ų7027.2 Ų27.237%0.37415%0.145SC..  trans-121.8104.1-174.8-177.2-21.7000111.3D95 V100 S101D95-N98 HydrophobicContact CB-CB 4.05Å; D95-N98 PolarHBondContact O-N 3.35Å; N98-V100 VanDerWaalsContact C-N 3.33Å; N98-V100 PolarHBondContact O-N 2.87Å; N98-V100 WeakPolarHBondContact OD1-CB 3.44Å; N98-V100 PolarHBondContact OD1-N 3.5Å; N98-S101 WeakPolarHBondContact O-CB 3.43Å; N98-S101 PolarHBondContact O-N 2.86Å; N98-S101 PolarHBondContact O-OG 3.35Å; N98-S101 PolarHBondContact OD1-N 2.89Å; N98-S101 VanDerWaalsContact OD1-N 3.16Å
99S97.5Very high97.3Very high53 Ų5328.3 Ų28.337%0.37115%0.148SC..Hα-helixtrans-63-35.9-179.256.30000114.1S101 F102 D103S99-S101 VanDerWaalsContact C-N 3.27Å; S99-S101 PolarHBondContact O-N 2.86Å; S99-F102 WeakPolarHBondContact O-CB 3.42Å; S99-F102 PolarHBondContact O-N 3.24Å; S99-F102 VanDerWaalsContact O-N 3.11Å; S99-D103 PolarHBondContact O-N 2.84Å
100V96.8Very high97.2Very high86 Ų8634.3 Ų34.352%0.52117%0.17SC..Hα-helixtrans-60.4-40.7177.5-179.10000110.3N98 F102 D103 R104N98-V100 VanDerWaalsContact C-N 3.33Å; N98-V100 PolarHBondContact O-N 2.87Å; N98-V100 WeakPolarHBondContact OD1-CB 3.44Å; N98-V100 PolarHBondContact OD1-N 3.5Å; V100-F102 PolarHBondContact O-N 3.45Å; V100-D103 PolarHBondContact O-N 2.78Å; V100-R104 HydrophobicContact CG1-CG 4.38Å; V100-R104 VanDerWaalsContact O-CG 3.31Å; V100-R104 WeakPolarHBondContact O-CG 3.31Å; V100-R104 PolarHBondContact O-N 3.36Å; V100-R104 VanDerWaalsContact O-N 3.09Å
101S97.4Very high96.8Very high1 Ų135 Ų351%0.00717%0.174CC..Hα-helixtrans-61.5-33.6178.478.20000113D95 N98 S99D95-S101 PolarHBondContact N-OG 2.99Å; D95-S101 PolarHBondContact O-OG 3.08Å; N98-S101 WeakPolarHBondContact O-CB 3.43Å; N98-S101 PolarHBondContact O-N 2.86Å; N98-S101 PolarHBondContact O-OG 3.35Å; N98-S101 PolarHBondContact OD1-N 2.89Å; N98-S101 VanDerWaalsContact OD1-N 3.16Å; S99-S101 VanDerWaalsContact C-N 3.27Å; S99-S101 PolarHBondContact O-N 2.86Å
102F98.4Very high96.5Very high7 Ų735 Ų353%0.03117%0.174CC..Hα-helixtrans-74.6-44.2174.8-176-89.6000111.9Y94 S99 V100 R104 I105 L128 I141 K145 F149Y94-F102 AromaticContact CD1-CD2 3.71Å; Y94-F102 HydrophobicContact CD1-CD2 3.71Å; Y94-F102 HydrophobicContact CD1-CE2 4.31Å; Y94-F102 HydrophobicContact CD2-CB 3.78Å; Y94-F102 AromaticContact CD2-CD2 3.67Å; Y94-F102 HydrophobicContact CD2-CD2 3.67Å; Y94-F102 HydrophobicContact CD2-CG 4.22Å; Y94-F102 AromaticContact CE1-CD2 3.64Å; Y94-F102 HydrophobicContact CE1-CD2 3.64Å; Y94-F102 AromaticContact CE1-CE2 3.91Å; Y94-F102 HydrophobicContact CE1-CE2 3.91Å; Y94-F102 HydrophobicContact CE2-CB 4.31Å; Y94-F102 AromaticContact CE2-CD2 3.6Å; Y94-F102 HydrophobicContact CE2-CD2 3.6Å; Y94-F102 HydrophobicContact CE2-CE2 4.4Å; Y94-F102 HydrophobicContact CE2-CG 4.38Å; Y94-F102 HydrophobicContact CG-CB 4.09Å; Y94-F102 AromaticContact CG-CD2 3.72Å; Y94-F102 HydrophobicContact CG-CD2 3.72Å; Y94-F102 HydrophobicContact CG-CG 4.42Å; Y94-F102 AromaticContact CZ-CD2 3.58Å; Y94-F102 AromaticContact CZ-CE2 3.97Å; S99-F102 WeakPolarHBondContact O-CB 3.42Å; S99-F102 PolarHBondContact O-N 3.24Å; S99-F102 VanDerWaalsContact O-N 3.11Å; V100-F102 PolarHBondContact O-N 3.45Å; F102-R104 PolarHBondContact O-N 3.19Å; F102-I105 VanDerWaalsContact O-CB 3.24Å; F102-I105 WeakPolarHBondContact O-CB 3.43Å; F102-I105 WeakPolarHBondContact O-CG1 3.47Å; F102-I105 PolarHBondContact O-N 3.02Å; F102-L128 HydrophobicContact CE2-CD2 4.33Å; F102-I141 HydrophobicContact CB-CD1 3.91Å; F102-I141 HydrophobicContact CB-CG1 3.84Å; F102-I141 HydrophobicContact CD1-CD1 4.5Å; F102-I141 HydrophobicContact CD2-CG2 3.97Å; F102-I141 HydrophobicContact CE2-CG2 4.24Å; F102-I141 HydrophobicContact CG-CD1 4.23Å; F102-I141 HydrophobicContact CG-CG1 4.24Å; F102-I141 HydrophobicContact CG-CG2 4.15Å; F102-K145 HydrophobicContact CD1-CD 4.1Å; F102-K145 HydrophobicContact CE1-CD 3.82Å; F102-K145 VanDerWaalsContact CE1-CE 3.42Å; F102-K145 HydrophobicContact CE1-CG 3.81Å; F102-K145 HydrophobicContact CZ-CD 4.47Å; F102-K145 HydrophobicContact CZ-CG 4.08Å; F102-F149 HydrophobicContact CE1-CD2 4.21Å; F102-F149 HydrophobicContact CZ-CB 3.79Å; F102-F149 HydrophobicContact CZ-CD2 4.07Å; F102-F149 AromaticContact CZ-CG 3.98Å; F102-F149 HydrophobicContact CZ-CG 3.98Å
103D97.1Very high96.2Very high86 Ų8638.9 Ų38.946%0.4619%0.192SC..Hα-helixtrans-63-32.4-177-66.4-24.2000111.5S99 V100 I105 K145S99-D103 PolarHBondContact O-N 2.84Å; V100-D103 PolarHBondContact O-N 2.78Å; D103-I105 VanDerWaalsContact C-N 3.28Å; D103-I105 PolarHBondContact O-N 2.94Å; D103-K145 IonicContact OD1-NZ 3.82Å; D103-K145 PolarHBondContact OD1-NZ 2.85Å
104R95.8Very high95.9Very high70 Ų7047.4 Ų47.426%0.26422%0.224SC..THydrogen-bonded Turntrans-69.6-16.3174.1-65.2-60.6-62.7-80.1-0.3114.5E21 V100 F102 K106 D107 W108E21-R104 HydrophobicContact CG-CB 3.84Å; E21-R104 HydrophobicContact CG-CG 3.93Å; E21-R104 IonicContact OE1-CZ 2.66Å; E21-R104 VanDerWaalsContact OE1-CZ 3.28Å; E21-R104 IonicContact OE1-NE 3.6Å; E21-R104 IonicContact OE1-NH1 3.7Å; E21-R104 PolarHBondContact OE1-NH1 3.39Å; E21-R104 VanDerWaalsContact OE1-NH1 3.11Å; E21-R104 IonicContact OE1-NH2 3.6Å; V100-R104 HydrophobicContact CG1-CG 4.38Å; V100-R104 VanDerWaalsContact O-CG 3.31Å; V100-R104 WeakPolarHBondContact O-CG 3.31Å; V100-R104 PolarHBondContact O-N 3.36Å; V100-R104 VanDerWaalsContact O-N 3.09Å; F102-R104 PolarHBondContact O-N 3.19Å; R104-K106 PolarHBondContact O-N 2.77Å; R104-D107 IonicContact NE-OD2 2.78Å; R104-D107 PolarHBondContact NE-OD2 3.08Å; R104-D107 PolarHBondContact O-N 3.32Å; R104-W108 VanDerWaalsContact O-CD1 3.23Å; R104-W108 PolarHBondContact O-N 3.39Å
105I97.6Very high95.4Very high0 Ų048.9 Ų48.90%023%0.232CC..Hα-helixtrans-59.1-33.4177-63.3-50.7000111.7F92 F102 D103 D107 W108 Y109 L128 F149F92-I105 HydrophobicContact CB-CD1 4.22Å; F92-I105 HydrophobicContact CB-CG2 3.92Å; F92-I105 HydrophobicContact CG-CG2 4.21Å; F102-I105 VanDerWaalsContact O-CB 3.24Å; F102-I105 WeakPolarHBondContact O-CB 3.43Å; F102-I105 WeakPolarHBondContact O-CG1 3.47Å; F102-I105 PolarHBondContact O-N 3.02Å; D103-I105 VanDerWaalsContact C-N 3.28Å; D103-I105 PolarHBondContact O-N 2.94Å; I105-D107 PolarHBondContact O-N 3.36Å; I105-W108 PolarHBondContact O-N 2.88Å; I105-Y109 WeakPolarHBondContact O-CB 3.49Å; I105-Y109 PolarHBondContact O-N 3.47Å; I105-L128 HydrophobicContact CG1-CD1 4.41Å; I105-L128 HydrophobicContact CG2-CD1 3.88Å; I105-F149 HydrophobicContact CB-CZ 4.38Å; I105-F149 HydrophobicContact CG2-CE1 3.72Å; I105-F149 HydrophobicContact CG2-CZ 3.77Å
106K96.4Very high94.7Very high84 Ų8449.4 Ų49.437%0.36524%0.236SC..Hα-helixtrans-62.2-34.8176.7-168.2178.3-173.5-179.10112.2R104 R110 F149R104-K106 PolarHBondContact O-N 2.77Å; K106-R110 VanDerWaalsContact CE-NH2 3.33Å; K106-R110 WeakPolarHBondContact O-CD 3.26Å; K106-R110 VanDerWaalsContact O-CG 3.26Å; K106-R110 WeakPolarHBondContact O-CG 3.37Å; K106-R110 PolarHBondContact O-N 3.12Å; K106-F149 HydrophobicContact CB-CE2 4.38Å
107D94.7Very high94Very high49 Ų4952.9 Ų52.926%0.26227%0.265SS..Hα-helixtrans-75.4-41.8179.7-58.1-34000111.1F75 R104 I105 Y109 R110 L111F75-D107 HydrophobicContact CE2-CB 4.11Å; F75-D107 HydrophobicContact CZ-CB 3.77Å; R104-D107 IonicContact NE-OD2 2.78Å; R104-D107 PolarHBondContact NE-OD2 3.08Å; R104-D107 PolarHBondContact O-N 3.32Å; I105-D107 PolarHBondContact O-N 3.36Å; D107-Y109 VanDerWaalsContact C-N 3.32Å; D107-Y109 PolarHBondContact O-N 3.28Å; D107-R110 PolarHBondContact O-N 3.12Å; D107-R110 IonicContact OD1-NH1 3.22Å; D107-R110 PolarHBondContact OD1-NH1 3.09Å; D107-L111 WeakPolarHBondContact O-CB 3.47Å; D107-L111 PolarHBondContact O-N 3.02Å
108W94.4Very high92.9Very high1 Ų155.2 Ų55.20%0.00429%0.288CS..Hα-helixtrans-56.7-45.7169.7-72.6108.7000111.9L19 F75 L80 F92 R104 I105 L111 V112L19-W108 HydrophobicContact CB-CD2 4.09Å; L19-W108 HydrophobicContact CB-CE3 3.78Å; L19-W108 HydrophobicContact CB-CZ3 4.2Å; L19-W108 HydrophobicContact CD1-CE3 4.03Å; L19-W108 HydrophobicContact CD1-CZ3 4.49Å; L19-W108 HydrophobicContact CD2-CE3 4.12Å; L19-W108 HydrophobicContact CD2-CZ3 3.82Å; L19-W108 HydrophobicContact CG-CE3 4.2Å; L19-W108 HydrophobicContact CG-CZ3 4.39Å; F75-W108 HydrophobicContact CB-CH2 3.6Å; F75-W108 HydrophobicContact CB-CZ2 3.66Å; F75-W108 HydrophobicContact CB-CZ3 4.33Å; F75-W108 AromaticContact CD2-CD2 3.58Å; F75-W108 HydrophobicContact CD2-CD2 3.58Å; F75-W108 AromaticContact CD2-CE2 3.48Å; F75-W108 VanDerWaalsContact CD2-CE2 3.48Å; F75-W108 AromaticContact CD2-CE3 3.64Å; F75-W108 HydrophobicContact CD2-CE3 3.64Å; F75-W108 HydrophobicContact CD2-CG 4.35Å; F75-W108 AromaticContact CD2-CH2 3.63Å; F75-W108 HydrophobicContact CD2-CH2 3.63Å; F75-W108 AromaticContact CD2-CZ2 3.52Å; F75-W108 HydrophobicContact CD2-CZ2 3.52Å; F75-W108 AromaticContact CD2-CZ3 3.67Å; F75-W108 HydrophobicContact CD2-CZ3 3.67Å; F75-W108 AromaticContact CE2-CD2 3.94Å; F75-W108 HydrophobicContact CE2-CD2 3.94Å; F75-W108 HydrophobicContact CE2-CE3 4.12Å; F75-W108 HydrophobicContact CE2-CG 4.3Å; F75-W108 HydrophobicContact CG-CH2 4.11Å; F75-W108 HydrophobicContact CG-CZ2 4.01Å; F75-W108 HydrophobicContact CG-CZ3 4.49Å; L80-W108 HydrophobicContact CD1-CZ3 4.08Å; L80-W108 HydrophobicContact CD2-CE3 4.42Å; L80-W108 HydrophobicContact CD2-CH2 4.46Å; L80-W108 HydrophobicContact CD2-CZ3 3.66Å; F92-W108 HydrophobicContact CD1-CB 3.8Å; F92-W108 HydrophobicContact CE1-CB 3.75Å; R104-W108 VanDerWaalsContact O-CD1 3.23Å; R104-W108 PolarHBondContact O-N 3.39Å; I105-W108 PolarHBondContact O-N 2.88Å; W108-L111 PolarHBondContact O-N 3.41Å; W108-V112 WeakPolarHBondContact O-CG2 3.21Å; W108-V112 PolarHBondContact O-N 3.44Å
109Y95.6Very high91.9Very high40 Ų4053.9 Ų53.916%0.15728%0.28CS..Hα-helixtrans-59.6-49.3176.6173.2-100.3000112F92 I105 D107 L111 V112 Q113 L126 Y153 M155F92-Y109 HydrophobicContact CE2-CD2 4.28Å; F92-Y109 HydrophobicContact CZ-CD2 4.36Å; I105-Y109 WeakPolarHBondContact O-CB 3.49Å; I105-Y109 PolarHBondContact O-N 3.47Å; D107-Y109 VanDerWaalsContact C-N 3.32Å; D107-Y109 PolarHBondContact O-N 3.28Å; Y109-L111 VanDerWaalsContact C-N 3.25Å; Y109-L111 PolarHBondContact O-N 2.91Å; Y109-V112 PolarHBondContact O-N 3.38Å; Y109-Q113 HydrophobicContact CD1-CG 4.13Å; Y109-Q113 HydrophobicContact CD2-CG 4.22Å; Y109-Q113 HydrophobicContact CE1-CG 3.66Å; Y109-Q113 HydrophobicContact CE2-CG 3.79Å; Y109-Q113 HydrophobicContact CG-CG 4.39Å; Y109-Q113 VanDerWaalsContact CZ-CG 3.48Å; Y109-Q113 VanDerWaalsContact O-CG 3.3Å; Y109-Q113 WeakPolarHBondContact O-CG 2.98Å; Y109-Q113 PolarHBondContact O-N 3.23Å; Y109-L126 HydrophobicContact CD2-CD1 4.12Å; Y109-L126 HydrophobicContact CE2-CD1 3.67Å; Y109-Y153 HydrophobicContact CD1-CD1 4.06Å; Y109-Y153 AromaticContact CD1-CE1 3.99Å; Y109-Y153 HydrophobicContact CD1-CE1 3.99Å; Y109-Y153 AromaticContact CE1-CD1 3.44Å; Y109-Y153 HydrophobicContact CE1-CD1 3.44Å; Y109-Y153 VanDerWaalsContact CE1-CD1 3.44Å; Y109-Y153 AromaticContact CE1-CE1 3.51Å; Y109-Y153 HydrophobicContact CE1-CE1 3.51Å; Y109-Y153 HydrophobicContact CE1-CG 4.36Å; Y109-Y153 HydrophobicContact CE2-CD1 4.05Å; Y109-Y153 HydrophobicContact CE2-CG 4.37Å; Y109-Y153 AromaticContact CZ-CD1 3.43Å; Y109-Y153 VanDerWaalsContact CZ-CD1 3.43Å; Y109-M155 HydrophobicContact CD2-CE 3.32Å; Y109-M155 HydrophobicContact CE2-CE 3.81Å; Y109-M155 HydrophobicContact CG-CE 4.14Å
110R93.8Very high90.4Very high125 Ų12560.5 Ų60.547%0.47231%0.305SS..Hα-helixtrans-59.6-37.2178-74.6164.7173.8159.1-12.4112.5K106 D107 R114K106-R110 VanDerWaalsContact CE-NH2 3.33Å; K106-R110 WeakPolarHBondContact O-CD 3.26Å; K106-R110 VanDerWaalsContact O-CG 3.26Å; K106-R110 WeakPolarHBondContact O-CG 3.37Å; K106-R110 PolarHBondContact O-N 3.12Å; D107-R110 PolarHBondContact O-N 3.12Å; D107-R110 IonicContact OD1-NH1 3.22Å; D107-R110 PolarHBondContact OD1-NH1 3.09Å; R110-R114 PolarHBondContact O-N 3.46Å; R110-R114 VanDerWaalsContact O-N 3.13Å
111L90.9Very high89.3Confident16 Ų1665.9 Ų65.98%0.08432%0.324CS..Hα-helixtrans-64.9-50.6176.7-174.1148.7000110.5F75 L80 D107 W108 Y109 Q113 R114 L115F75-L111 HydrophobicContact CE2-CD1 4.3Å; L80-L111 HydrophobicContact CD2-CD1 3.48Å; L80-L111 VanDerWaalsContact CD2-CD1 3.48Å; L80-L111 HydrophobicContact CD2-CD2 3.58Å; L80-L111 HydrophobicContact CD2-CG 4.2Å; L80-L111 HydrophobicContact CG-CD2 3.98Å; D107-L111 WeakPolarHBondContact O-CB 3.47Å; D107-L111 PolarHBondContact O-N 3.02Å; W108-L111 PolarHBondContact O-N 3.41Å; Y109-L111 VanDerWaalsContact C-N 3.25Å; Y109-L111 PolarHBondContact O-N 2.91Å; L111-Q113 VanDerWaalsContact C-N 3.34Å; L111-Q113 PolarHBondContact O-N 3.17Å; L111-R114 WeakPolarHBondContact O-CB 3.41Å; L111-R114 PolarHBondContact O-N 2.87Å; L111-R114 VanDerWaalsContact O-N 3.15Å; L111-L115 HydrophobicContact CD2-CD1 3.51Å; L111-L115 HydrophobicContact CD2-CG 4.28Å; L111-L115 HydrophobicContact CG-CD1 4.47Å; L111-L115 WeakPolarHBondContact O-CG 3.41Å; L111-L115 PolarHBondContact O-N 3.43Å; L111-L115 VanDerWaalsContact O-N 3.11Å
112V92.9Very high88.2Confident0 Ų071.4 Ų71.40%035%0.345CS..Hα-helixtrans-57.4-46.8176.7169.60000111.2L19 V84 I90 F92 W108 Y109 R114 L115 S116 L126L19-V112 HydrophobicContact CD1-CG2 3.47Å; L19-V112 VanDerWaalsContact CD1-CG2 3.47Å; V84-V112 HydrophobicContact CG1-CG2 4.19Å; I90-V112 HydrophobicContact CG1-CG1 3.97Å; I90-V112 HydrophobicContact CG1-CG2 4.37Å; I90-V112 HydrophobicContact CG2-CG2 4.24Å; F92-V112 HydrophobicContact CE1-CG2 3.9Å; F92-V112 HydrophobicContact CZ-CB 4.11Å; F92-V112 HydrophobicContact CZ-CG1 4.43Å; F92-V112 HydrophobicContact CZ-CG2 3.81Å; W108-V112 WeakPolarHBondContact O-CG2 3.21Å; W108-V112 PolarHBondContact O-N 3.44Å; Y109-V112 PolarHBondContact O-N 3.38Å; V112-R114 VanDerWaalsContact C-N 3.27Å; V112-R114 PolarHBondContact O-N 2.95Å; V112-L115 PolarHBondContact O-N 3.41Å; V112-L115 VanDerWaalsContact O-N 3.12Å; V112-S116 WeakPolarHBondContact O-CB 3.37Å; V112-S116 PolarHBondContact O-N 3.44Å; V112-S116 PolarHBondContact O-OG 2.94Å; V112-L126 HydrophobicContact CG1-CD2 4.39Å
113Q92.1Very high87.7Confident81 Ų8179.1 Ų79.138%0.37938%0.378SS..Hα-helixtrans-58.2-39.6178.5-70.3-62.7-59.800112.6Y109 L111 A117Y109-Q113 HydrophobicContact CD1-CG 4.13Å; Y109-Q113 HydrophobicContact CD2-CG 4.22Å; Y109-Q113 HydrophobicContact CE1-CG 3.66Å; Y109-Q113 HydrophobicContact CE2-CG 3.79Å; Y109-Q113 HydrophobicContact CG-CG 4.39Å; Y109-Q113 VanDerWaalsContact CZ-CG 3.48Å; Y109-Q113 VanDerWaalsContact O-CG 3.3Å; Y109-Q113 WeakPolarHBondContact O-CG 2.98Å; Y109-Q113 PolarHBondContact O-N 3.23Å; L111-Q113 VanDerWaalsContact C-N 3.34Å; L111-Q113 PolarHBondContact O-N 3.17Å; Q113-A117 WeakPolarHBondContact O-CB 3.5Å; Q113-A117 PolarHBondContact O-N 2.97Å
114R90.3Very high87.6Confident180 Ų18076 Ų7668%0.67936%0.362SS*.Hα-helixtrans-64.8-40.4177.3-168-166.2-43.3159.210.1112R110 L111 V112R110-R114 PolarHBondContact O-N 3.46Å; R110-R114 VanDerWaalsContact O-N 3.13Å; L111-R114 WeakPolarHBondContact O-CB 3.41Å; L111-R114 PolarHBondContact O-N 2.87Å; L111-R114 VanDerWaalsContact O-N 3.15Å; V112-R114 VanDerWaalsContact C-N 3.27Å; V112-R114 PolarHBondContact O-N 2.95Å
115L88.4Confident87.6Confident30 Ų3073.4 Ų73.416%0.15735%0.353CS..Hα-helixtrans-74.7-43.1-179-64.1177.9000111.9D81 V84 L111 V112 A117 A118D81-L115 HydrophobicContact CB-CD1 4.4Å; D81-L115 HydrophobicContact CB-CD2 3.96Å; D81-L115 VanDerWaalsContact CG-CD2 3.45Å; D81-L115 WeakPolarHBondContact OD1-CD2 3.41Å; V84-L115 HydrophobicContact CB-CD1 3.77Å; V84-L115 HydrophobicContact CG1-CB 4.31Å; V84-L115 HydrophobicContact CG1-CD1 3.9Å; V84-L115 HydrophobicContact CG2-CD1 4.18Å; L111-L115 HydrophobicContact CD2-CD1 3.51Å; L111-L115 HydrophobicContact CD2-CG 4.28Å; L111-L115 HydrophobicContact CG-CD1 4.47Å; L111-L115 WeakPolarHBondContact O-CG 3.41Å; L111-L115 PolarHBondContact O-N 3.43Å; L111-L115 VanDerWaalsContact O-N 3.11Å; V112-L115 PolarHBondContact O-N 3.41Å; V112-L115 VanDerWaalsContact O-N 3.12Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 3.39Å; L115-A118 PolarHBondContact O-N 3.46Å
116S85.1Confident87.6Confident21 Ų2174.2 Ų74.215%0.14736%0.357CS..Hα-helixtrans-72.7-21.8179.5-58.30000113.3V112 A118 E119V112-S116 WeakPolarHBondContact O-CB 3.37Å; V112-S116 PolarHBondContact O-N 3.44Å; V112-S116 PolarHBondContact O-OG 2.94Å; S116-A118 PolarHBondContact O-N 3.2Å; S116-A118 VanDerWaalsContact O-N 3.16Å; S116-E119 PolarHBondContact O-N 3.24Å
117A82.1Confident87.7Confident73 Ų7370.2 Ų70.260%0.60334%0.34SS*.THydrogen-bonded Turntrans-61.1-22.2174.600000113.4Q113 L115 E119Q113-A117 WeakPolarHBondContact O-CB 3.5Å; Q113-A117 PolarHBondContact O-N 2.97Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 3.39Å; A117-E119 VanDerWaalsContact C-N 3.3Å
118A76.7Confident87.9Confident86 Ų8667.9 Ų67.971%0.71133%0.327SS*.THydrogen-bonded Turntrans-75.4-18.8173.200000112.9L115 S116L115-A118 PolarHBondContact O-N 3.46Å; S116-A118 PolarHBondContact O-N 3.2Å; S116-A118 VanDerWaalsContact O-N 3.16Å
119E75.7Confident88.1Confident43 Ų4367.8 Ų67.820%0.20133%0.327CS..  trans-101.878.3-179.6-61.8-173157.800109.9L85 G86 S116 A117 E121L85-E119 HydrophobicContact CD1-CG 4.02Å; L85-E119 WeakPolarHBondContact CD1-OE1 3.25Å; L85-E119 VanDerWaalsContact CG-OE1 3.28Å; L85-E119 WeakPolarHBondContact CG-OE1 3.23Å; G86-E119 PolarHBondContact N-OE1 2.67Å; S116-E119 PolarHBondContact O-N 3.24Å; A117-E119 VanDerWaalsContact C-N 3.3Å; E119-E121 PolarHBondContact O-N 3.37Å
120Q67.2Low88.3Confident192 Ų19265.9 Ų65.990%0.89732%0.32SS*.THydrogen-bonded Turntrans-60.3-18-174.7-83.9169.5-27.300115.1
121E71.9Confident88.5Confident199 Ų19960.2 Ų60.293%0.9330%0.299SS*.THydrogen-bonded Turntrans-107.6-8.5-169.6-64.2-178.7175.400114.4E119E119-E121 PolarHBondContact O-N 3.37Å
122R75.3Confident88.8Confident116 Ų11662.4 Ų62.444%0.43831%0.308SS..  trans-115.8114.9-174.3-160-176.1-161131-4.4112.2D88 V124D88-R122 IonicContact OD1-CZ 3.31Å; D88-R122 VanDerWaalsContact OD1-CZ 3.31Å; D88-R122 IonicContact OD1-NE 2.79Å; D88-R122 PolarHBondContact OD1-NE 2.93Å; D88-R122 IonicContact OD1-NH2 2.63Å; D88-R122 PolarHBondContact OD1-NH2 3.36Å; D88-R122 IonicContact OD2-NH2 3.23Å; D88-R122 PolarHBondContact OD2-NH2 2.89Å; R122-V124 PolarHBondContact O-N 3.17Å
123K87.3Confident89.1Confident170 Ų17063.4 Ų63.474%0.73932%0.315SS*.PPolyproline II helixtrans-76.1116.9169.1-175.1-173.4175.5-1640109.2
124V94.6Very high89.3Confident20 Ų2061.8 Ų61.812%0.12131%0.308CS..PPolyproline II helixtrans-89.1125.4175.1-173.60000109.8A87 I90 R122 L126A87-V124 WeakPolarHBondContact O-CG2 3.34Å; I90-V124 HydrophobicContact CD1-CG1 4.48Å; I90-V124 HydrophobicContact CG1-CG1 3.68Å; R122-V124 PolarHBondContact O-N 3.17Å; V124-L126 HydrophobicContact CG1-CD2 4.18Å; V124-L126 PolarHBondContact O-N 2.89Å
125Q96.6Very high89.6Confident16 Ų1655.4 Ų55.48%0.07529%0.287CS..EExtended strand (participates in β ladder)trans-75.9123.5177.818052.735.500111.2D88 A89 I90 E178 V179D88-Q125 PolarHBondContact O-N 2.69Å; A89-Q125 CarbonylContact C-O 3.54Å; A89-Q125 WeakPolarHBondContact CA-O 3.31Å; A89-Q125 HydrophobicContact CB-CB 4.1Å; I90-Q125 PolarHBondContact N-O 3.37Å; Q125-E178 HydrophobicContact CG-CB 4.14Å; Q125-E178 HydrophobicContact CG-CG 3.87Å; Q125-V179 HydrophobicContact CB-CG2 3.49Å; Q125-V179 VanDerWaalsContact CB-CG2 3.49Å; Q125-V179 HydrophobicContact CG-CG2 4.16Å
126L98Very high90Very high16 Ų1658.5 Ų58.58%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-102134.2-179-52.5-176.3000111.1I90 F92 Y109 V112 V124 M155 L156I90-L126 HydrophobicContact CB-CD2 3.95Å; I90-L126 HydrophobicContact CG1-CD2 4.19Å; F92-L126 HydrophobicContact CE2-CB 4.41Å; F92-L126 HydrophobicContact CE2-CD2 4.09Å; Y109-L126 HydrophobicContact CD2-CD1 4.12Å; Y109-L126 HydrophobicContact CE2-CD1 3.67Å; V112-L126 HydrophobicContact CG1-CD2 4.39Å; V124-L126 HydrophobicContact CG1-CD2 4.18Å; V124-L126 PolarHBondContact O-N 2.89Å; L126-M155 HydrophobicContact CB-CB 4.43Å; L126-M155 HydrophobicContact CB-CE 4.45Å; L126-M155 HydrophobicContact CB-CG 3.82Å; L126-M155 HydrophobicContact CD1-CE 4.23Å; L126-M155 VanDerWaalsContact O-CA 3.31Å; L126-M155 WeakPolarHBondContact O-CA 3.29Å; L126-L156 PolarHBondContact O-N 3.25Å
127T98.7Very high90.6Very high0 Ų064.8 Ų64.80%033%0.328CS..EExtended strand (participates in β ladder)trans-132.7132.7178.6-54.20000109.7I90 I91 F92 V129 L156 F158 T175I90-T127 PolarHBondContact O-N 3.39Å; I91-T127 CarbonylContact C-O 3.59Å; I91-T127 WeakPolarHBondContact CA-O 3.32Å; F92-T127 PolarHBondContact N-O 2.97Å; T127-V129 HydrophobicContact CG2-CG2 3.95Å; T127-L156 CarbonylContact C-O 3.47Å; T127-L156 WeakPolarHBondContact CA-O 3.37Å; T127-L156 HydrophobicContact CG2-CB 3.97Å; T127-F158 HydrophobicContact CG2-CD2 3.65Å; T127-F158 HydrophobicContact CG2-CE2 3.81Å; T127-T175 PolarHBondContact OG1-OG1 2.78Å
128L98.8Very high91.4Very high0 Ų066.2 Ų66.20%032%0.322CS..EExtended strand (participates in β ladder)trans-104.9126.8173.5-177.867.2000110F92 Y94 F102 I105 F149 M155 L156 S157 F158F92-L128 HydrophobicContact CB-CD1 4.11Å; Y94-L128 HydrophobicContact CD1-CD1 4.05Å; Y94-L128 HydrophobicContact CE1-CD1 4.17Å; Y94-L128 HydrophobicContact CE1-CG 4.23Å; F102-L128 HydrophobicContact CE2-CD2 4.33Å; I105-L128 HydrophobicContact CG1-CD1 4.41Å; I105-L128 HydrophobicContact CG2-CD1 3.88Å; L128-F149 HydrophobicContact CD2-CB 4.39Å; L128-F149 HydrophobicContact CD2-CD1 3.87Å; L128-F149 HydrophobicContact CD2-CG 4.49Å; L128-M155 HydrophobicContact CB-CB 4.28Å; L128-M155 HydrophobicContact CB-SD 3.97Å; L128-L156 PolarHBondContact N-O 3.15Å; L128-S157 WeakPolarHBondContact O-CA 3.38Å; L128-F158 PolarHBondContact O-N 2.99Å
129V98.8Very high92.4Very high0 Ų064.3 Ų64.30%030%0.296CS..EExtended strand (participates in β ladder)trans-125.5116.8-176.7-1780000110.3F29 I91 F92 A93 Y94 T127 M131 F158 T160F29-V129 HydrophobicContact CE2-CG1 4.45Å; I91-V129 HydrophobicContact CG2-CB 4.23Å; I91-V129 HydrophobicContact CG2-CG2 3.57Å; F92-V129 PolarHBondContact O-N 3.28Å; A93-V129 WeakPolarHBondContact CA-O 3.24Å; Y94-V129 VanDerWaalsContact CD1-O 3.25Å; Y94-V129 WeakPolarHBondContact CD1-O 3.36Å; Y94-V129 PolarHBondContact N-O 2.83Å; Y94-V129 VanDerWaalsContact N-O 3.08Å; T127-V129 HydrophobicContact CG2-CG2 3.95Å; V129-M131 HydrophobicContact CG1-CE 4.36Å; V129-M131 HydrophobicContact CG1-CG 4.12Å; V129-F158 WeakPolarHBondContact CA-O 3.46Å; V129-F158 HydrophobicContact CG2-CB 4.38Å; V129-T160 HydrophobicContact CG1-CG2 3.66Å; V129-T160 WeakPolarHBondContact CG1-OG1 3.23Å
130G98.6Very high93.5Very high0 Ų064.8 Ų64.80%031%0.308CS..EExtended strand (participates in β ladder)trans-80.4120.9162.900000109.6Y94 F158 Q159 T160Y94-G130 VanDerWaalsContact CZ-CA 3.48Å; G130-F158 PolarHBondContact N-O 2.81Å; G130-Q159 CarbonylContact O-C 3.58Å; G130-Q159 WeakPolarHBondContact O-CA 3.35Å; G130-T160 PolarHBondContact O-N 2.77Å; G130-T160 PolarHBondContact O-OG1 3.37Å
131M98.4Very high94.9Very high5 Ų555.8 Ų55.83%0.02527%0.266CS..EExtended strand (participates in β ladder)trans-100.7159.6-178.9-59.4-163.9140.400111.5C24 G25 F29 A93 Y94 V96 V129 S133 T160C24-M131 WeakPolarHBondContact O-CB 3.38Å; G25-M131 VanDerWaalsContact CA-SD 3.59Å; F29-M131 HydrophobicContact CB-CE 3.24Å; F29-M131 HydrophobicContact CB-SD 4.47Å; F29-M131 HydrophobicContact CD1-CE 3.76Å; F29-M131 HydrophobicContact CD2-CE 3.77Å; F29-M131 HydrophobicContact CG-CE 3.33Å; A93-M131 HydrophobicContact CB-CE 3.81Å; A93-M131 HydrophobicContact CB-CG 4.28Å; A93-M131 HydrophobicContact CB-SD 3.77Å; Y94-M131 VanDerWaalsContact O-CB 3.31Å; Y94-M131 WeakPolarHBondContact O-CB 3.48Å; Y94-M131 PolarHBondContact O-N 2.9Å; V96-M131 WeakPolarHBondContact CG1-O 3.42Å; V96-M131 WeakPolarHBondContact CG2-O 3.44Å; V96-M131 PolarHBondContact N-O 2.76Å; V129-M131 HydrophobicContact CG1-CE 4.36Å; V129-M131 HydrophobicContact CG1-CG 4.12Å; M131-S133 VanDerWaalsContact C-N 3.35Å; M131-T160 CarbonylContact C-O 3.54Å; M131-T160 WeakPolarHBondContact CA-O 3.44Å
132K97.8Very high96.1Very high63 Ų6353.6 Ų53.627%0.27425%0.253SS..  trans62.838.8-179.6-45.8-174.1-166166.70112.6G23 C24 D95 V96 D134 L135 T160G23-K132 PolarHBondContact O-NZ 2.85Å; C24-K132 WeakPolarHBondContact O-CE 3.32Å; D95-K132 WeakPolarHBondContact OD2-CD 3.24Å; D95-K132 VanDerWaalsContact OD2-CE 3.27Å; D95-K132 WeakPolarHBondContact OD2-CE 3.29Å; D95-K132 IonicContact OD2-NZ 2.94Å; D95-K132 PolarHBondContact OD2-NZ 3Å; V96-K132 VanDerWaalsContact CG2-O 3.25Å; V96-K132 WeakPolarHBondContact CG2-O 3.35Å; K132-D134 WeakPolarHBondContact CA-OD1 3.45Å; K132-D134 PolarHBondContact O-N 3.11Å; K132-D134 VanDerWaalsContact O-N 3.12Å; K132-L135 HydrophobicContact CB-CD1 4.12Å; K132-L135 HydrophobicContact CB-CG 4.34Å; K132-L135 HydrophobicContact CD-CD1 4.21Å; K132-L135 WeakPolarHBondContact O-CB 3.31Å; K132-L135 PolarHBondContact O-N 3.26Å; K132-T160 PolarHBondContact N-O 2.87Å
133S97.9Very high97.2Very high21 Ų2151.3 Ų51.315%0.14725%0.249CC..G310 helixtrans-61.7-16.5177.7610000113.8M131 L135 E136 T160 S161M131-S133 VanDerWaalsContact C-N 3.35Å; S133-L135 PolarHBondContact O-N 3.22Å; S133-E136 PolarHBondContact O-N 3.49Å; S133-T160 PolarHBondContact N-O 3.27Å; S133-T160 PolarHBondContact OG-O 3.08Å; S133-T160 VanDerWaalsContact OG-O 3.12Å; S133-S161 PolarHBondContact OG-N 2.97Å
134D97.3Very high97.7Very high46 Ų4649 Ų4925%0.24624%0.241CC..G310 helixtrans-63.4-22169.354.1-70.8000113.2K132 E136 S161 L164K132-D134 WeakPolarHBondContact CA-OD1 3.45Å; K132-D134 PolarHBondContact O-N 3.11Å; K132-D134 VanDerWaalsContact O-N 3.12Å; D134-E136 PolarHBondContact O-N 3.09Å; D134-S161 WeakPolarHBondContact CB-OG 3.35Å; D134-S161 VanDerWaalsContact OD1-CB 3.31Å; D134-S161 WeakPolarHBondContact OD1-CB 3.34Å; D134-S161 PolarHBondContact OD1-OG 3.23Å; D134-L164 HydrophobicContact CB-CD1 3.69Å; D134-L164 HydrophobicContact CB-CG 3.96Å
135L97.2Very high97.9Very high46 Ų4652 Ų5224%0.24125%0.252CS..G310 helixtrans-90.740.4176.3-56.8-178.5000112.3T97 K132 S133 H137 Q138 R139T97-L135 HydrophobicContact CG2-CB 3.6Å; T97-L135 HydrophobicContact CG2-CD1 3.91Å; T97-L135 HydrophobicContact CG2-CG 4.43Å; K132-L135 HydrophobicContact CB-CD1 4.12Å; K132-L135 HydrophobicContact CB-CG 4.34Å; K132-L135 HydrophobicContact CD-CD1 4.21Å; K132-L135 WeakPolarHBondContact O-CB 3.31Å; K132-L135 PolarHBondContact O-N 3.26Å; S133-L135 PolarHBondContact O-N 3.22Å; L135-H137 VanDerWaalsContact C-N 3.25Å; L135-H137 PolarHBondContact O-N 3.34Å; L135-Q138 HydrophobicContact CB-CB 4.44Å; L135-Q138 CarbonylContact O-C 3.57Å; L135-Q138 WeakPolarHBondContact O-CA 3.46Å; L135-Q138 PolarHBondContact O-N 2.99Å; L135-R139 PolarHBondContact O-N 3.36Å
136E96.9Very high98Very high96 Ų9651.5 Ų51.545%0.44925%0.25SS..G310 helixtrans-55.1-39.2-175.4-172.259.5-149.400113S133 D134 Q138 R139S133-E136 PolarHBondContact O-N 3.49Å; D134-E136 PolarHBondContact O-N 3.09Å; E136-Q138 PolarHBondContact O-N 3.12Å; E136-Q138 VanDerWaalsContact O-N 3.14Å; E136-R139 WeakPolarHBondContact O-CB 3.32Å; E136-R139 PolarHBondContact O-N 3.01Å; E136-R139 WeakPolarHBondContact OE1-CD 3.27Å; E136-R139 IonicContact OE1-CZ 3.7Å; E136-R139 IonicContact OE1-NE 2.69Å; E136-R139 PolarHBondContact OE1-NE 3.29Å; E136-R139 IonicContact OE1-NH2 3.74Å; E136-R139 IonicContact OE2-CZ 3.75Å; E136-R139 IonicContact OE2-NE 2.73Å; E136-R139 PolarHBondContact OE2-NE 3.3Å; E136-R139 IonicContact OE2-NH2 3.4Å; E136-R139 PolarHBondContact OE2-NH2 3.24Å
137H97.2Very high98Very high153 Ų15355.2 Ų55.271%0.70827%0.267SS*.G310 helixtrans-64-16176.867.6-77.4000114.1L135L135-H137 VanDerWaalsContact C-N 3.25Å; L135-H137 PolarHBondContact O-N 3.34Å
138Q97.9Very high98Very high103 Ų10360.4 Ų60.448%0.48129%0.292SS..G310 helixtrans-108.48.9176.8-53.2-178.620.600112.3T97 L135 E136 A140T97-Q138 WeakPolarHBondContact CA-O 2.88Å; T97-Q138 HydrophobicContact CG2-CB 3.72Å; L135-Q138 HydrophobicContact CB-CB 4.44Å; L135-Q138 CarbonylContact O-C 3.57Å; L135-Q138 WeakPolarHBondContact O-CA 3.46Å; L135-Q138 PolarHBondContact O-N 2.99Å; E136-Q138 PolarHBondContact O-N 3.12Å; E136-Q138 VanDerWaalsContact O-N 3.14Å; Q138-A140 PolarHBondContact O-N 2.79Å; Q138-A140 VanDerWaalsContact O-N 3.13Å
139R98.5Very high98Very high45 Ų4561.6 Ų61.617%0.1730%0.297CS..  trans-58.8118.5-176.7177.1178.4-69.7-76.5-2.9111L135 E136 I141 Q159L135-R139 PolarHBondContact O-N 3.36Å; E136-R139 WeakPolarHBondContact O-CB 3.32Å; E136-R139 PolarHBondContact O-N 3.01Å; E136-R139 WeakPolarHBondContact OE1-CD 3.27Å; E136-R139 IonicContact OE1-CZ 3.7Å; E136-R139 IonicContact OE1-NE 2.69Å; E136-R139 PolarHBondContact OE1-NE 3.29Å; E136-R139 IonicContact OE1-NH2 3.74Å; E136-R139 IonicContact OE2-CZ 3.75Å; E136-R139 IonicContact OE2-NE 2.73Å; E136-R139 PolarHBondContact OE2-NE 3.3Å; E136-R139 IonicContact OE2-NH2 3.4Å; E136-R139 PolarHBondContact OE2-NH2 3.24Å; R139-I141 WeakPolarHBondContact CD-O 3.31Å; R139-I141 WeakPolarHBondContact CG-O 3.29Å; R139-I141 PolarHBondContact NH1-O 3.4Å; R139-Q159 VanDerWaalsContact NH1-OE1 3.08Å
140A98.1Very high97.9Very high53 Ų5361.8 Ų61.844%0.43830%0.298SS..  trans-94.9-19.8172.600000112.4V96 T97 Q138V96-A140 PolarHBondContact O-N 3.14Å; T97-A140 WeakPolarHBondContact O-CB 3.21Å; Q138-A140 PolarHBondContact O-N 2.79Å; Q138-A140 VanDerWaalsContact O-N 3.13Å
141I97.7Very high97.9Very high3 Ų369 Ų692%0.01533%0.329CS..SBendtrans-110.6111.6-179.1-58.8-55.2000111.3Y94 V96 F102 R139 K145Y94-I141 HydrophobicContact CD2-CG1 4.48Å; Y94-I141 HydrophobicContact CE2-CB 4.04Å; Y94-I141 HydrophobicContact CE2-CG1 4.15Å; Y94-I141 HydrophobicContact CE2-CG2 3.96Å; V96-I141 PolarHBondContact O-N 3.44Å; V96-I141 VanDerWaalsContact O-N 3.16Å; F102-I141 HydrophobicContact CB-CD1 3.91Å; F102-I141 HydrophobicContact CB-CG1 3.84Å; F102-I141 HydrophobicContact CD1-CD1 4.5Å; F102-I141 HydrophobicContact CD2-CG2 3.97Å; F102-I141 HydrophobicContact CE2-CG2 4.24Å; F102-I141 HydrophobicContact CG-CD1 4.23Å; F102-I141 HydrophobicContact CG-CG1 4.24Å; F102-I141 HydrophobicContact CG-CG2 4.15Å; R139-I141 WeakPolarHBondContact CD-O 3.31Å; R139-I141 WeakPolarHBondContact CG-O 3.29Å; R139-I141 PolarHBondContact NH1-O 3.4Å; I141-K145 HydrophobicContact CD1-CD 4.45Å; I141-K145 HydrophobicContact CG2-CB 4.45Å; I141-K145 HydrophobicContact CG2-CD 4.39Å
142K97.6Very high97.9Very high154 Ų15475.8 Ų75.867%0.6736%0.355SS*.  trans-55.4141.3173.4-69.9-169.6-179.1-175.50112.2E144 K145 H146K142-E144 WeakPolarHBondContact CB-OE2 3.27Å; K142-E144 PolarHBondContact O-N 2.86Å; K142-K145 HydrophobicContact CB-CB 4.46Å; K142-K145 WeakPolarHBondContact O-CB 3.41Å; K142-K145 PolarHBondContact O-N 3.46Å; K142-K145 VanDerWaalsContact O-N 3.14Å; K142-H146 PolarHBondContact O-N 3.47Å
143L97.8Very high97.8Very high68 Ų6874.8 Ų74.836%0.35635%0.35SS..Hα-helixtrans-61.6-32.9178.3-68.2176.2000111.6K145 H146 Q147 Q159L143-K145 PolarHBondContact O-N 3.4Å; L143-H146 WeakPolarHBondContact O-CB 3.35Å; L143-H146 PolarHBondContact O-N 3.21Å; L143-Q147 VanDerWaalsContact O-CG 3.32Å; L143-Q147 WeakPolarHBondContact O-CG 3.2Å; L143-Q147 PolarHBondContact O-N 2.96Å; L143-Q159 HydrophobicContact CD2-CG 3.86Å
144E98.2Very high97.7Very high122 Ų12281.9 Ų81.957%0.5738%0.38SS*.Hα-helixtrans-64.2-41.6176.9-5974-158.400111.2K142 H146 Q147 E148K142-E144 WeakPolarHBondContact CB-OE2 3.27Å; K142-E144 PolarHBondContact O-N 2.86Å; E144-H146 VanDerWaalsContact C-N 3.32Å; E144-H146 PolarHBondContact O-N 2.91Å; E144-Q147 PolarHBondContact O-N 3.2Å; E144-E148 WeakPolarHBondContact O-CB 3.25Å; E144-E148 PolarHBondContact O-N 3.35Å
145K98.1Very high97.8Very high81 Ų8180.3 Ų80.335%0.35237%0.371SS..Hα-helixtrans-62.4-41.3177.1-171-176.5-178.5-1670110.8F102 D103 I141 K142 L143 F149F102-K145 HydrophobicContact CD1-CD 4.1Å; F102-K145 HydrophobicContact CE1-CD 3.82Å; F102-K145 VanDerWaalsContact CE1-CE 3.42Å; F102-K145 HydrophobicContact CE1-CG 3.81Å; F102-K145 HydrophobicContact CZ-CD 4.47Å; F102-K145 HydrophobicContact CZ-CG 4.08Å; D103-K145 IonicContact OD1-NZ 3.82Å; D103-K145 PolarHBondContact OD1-NZ 2.85Å; I141-K145 HydrophobicContact CD1-CD 4.45Å; I141-K145 HydrophobicContact CG2-CB 4.45Å; I141-K145 HydrophobicContact CG2-CD 4.39Å; K142-K145 HydrophobicContact CB-CB 4.46Å; K142-K145 WeakPolarHBondContact O-CB 3.41Å; K142-K145 PolarHBondContact O-N 3.46Å; K142-K145 VanDerWaalsContact O-N 3.14Å; L143-K145 PolarHBondContact O-N 3.4Å; K145-F149 WeakPolarHBondContact O-CB 3.47Å; K145-F149 PolarHBondContact O-N 3.32Å; K145-F149 VanDerWaalsContact O-N 3.11Å
146H98.4Very high97.8Very high7 Ų780.2 Ų80.23%0.03237%0.371CS..Hα-helixtrans-61.7-50.2174.6172.796000111.8Y94 K142 L143 E144 F149 S150 S157 F158 Q159Y94-H146 AromaticContact CE1-ND1 3.44Å; Y94-H146 WeakPolarHBondContact CE1-ND1 3.38Å; Y94-H146 AromaticContact CZ-ND1 3.59Å; Y94-H146 PolarHBondContact OH-ND1 2.81Å; K142-H146 PolarHBondContact O-N 3.47Å; L143-H146 WeakPolarHBondContact O-CB 3.35Å; L143-H146 PolarHBondContact O-N 3.21Å; E144-H146 VanDerWaalsContact C-N 3.32Å; E144-H146 PolarHBondContact O-N 2.91Å; H146-F149 PolarHBondContact O-N 2.73Å; H146-S150 PolarHBondContact O-N 3.04Å; H146-S150 PolarHBondContact O-OG 3.37Å; H146-S157 VanDerWaalsContact NE2-CB 3.34Å; H146-S157 WeakPolarHBondContact NE2-CB 3.31Å; H146-F158 PolarHBondContact CE1-O 2.69Å; H146-Q159 PolarHBondContact CE1-NE2 3.49Å; H146-Q159 PolarHBondContact ND1-NE2 3.35Å; H146-Q159 VanDerWaalsContact ND1-NE2 3.16Å; H146-Q159 PolarHBondContact NE2-NE2 2.77Å
147Q98.4Very high97.9Very high93 Ų9378.3 Ų78.344%0.43537%0.368SS..Hα-helixtrans-65.3-39.4-179-71.8176.9-2.300112.7L143 E144 S150 K151L143-Q147 VanDerWaalsContact O-CG 3.32Å; L143-Q147 WeakPolarHBondContact O-CG 3.2Å; L143-Q147 PolarHBondContact O-N 2.96Å; E144-Q147 PolarHBondContact O-N 3.2Å; Q147-S150 PolarHBondContact O-OG 3.41Å; Q147-S150 VanDerWaalsContact O-OG 3.13Å; Q147-K151 WeakPolarHBondContact O-CB 3.33Å; Q147-K151 VanDerWaalsContact O-CG 3.23Å; Q147-K151 WeakPolarHBondContact O-CG 3.45Å; Q147-K151 PolarHBondContact O-N 3.25Å
148E98.3Very high97.9Very high110 Ų11071.9 Ų71.951%0.51434%0.338SS..Hα-helixtrans-63.4-45.2176.6-171-171.3164.600110.6E144 R152E144-E148 WeakPolarHBondContact O-CB 3.25Å; E144-E148 PolarHBondContact O-N 3.35Å; E148-R152 WeakPolarHBondContact O-CB 3.34Å; E148-R152 PolarHBondContact O-N 2.81Å; E148-R152 IonicContact OE1-CZ 3.11Å; E148-R152 IonicContact OE1-NH2 3.28Å; E148-R152 PolarHBondContact OE1-NH2 3.43Å
149F98.4Very high97.9Very high25 Ų2568.9 Ų68.911%0.1132%0.324CS..Hα-helixtrans-62.9-48178-169-77.8000111.5F102 I105 K106 L128 K145 H146 K151 R152 Y153 M155F102-F149 HydrophobicContact CE1-CD2 4.21Å; F102-F149 HydrophobicContact CZ-CB 3.79Å; F102-F149 HydrophobicContact CZ-CD2 4.07Å; F102-F149 AromaticContact CZ-CG 3.98Å; F102-F149 HydrophobicContact CZ-CG 3.98Å; I105-F149 HydrophobicContact CB-CZ 4.38Å; I105-F149 HydrophobicContact CG2-CE1 3.72Å; I105-F149 HydrophobicContact CG2-CZ 3.77Å; K106-F149 HydrophobicContact CB-CE2 4.38Å; L128-F149 HydrophobicContact CD2-CB 4.39Å; L128-F149 HydrophobicContact CD2-CD1 3.87Å; L128-F149 HydrophobicContact CD2-CG 4.49Å; K145-F149 WeakPolarHBondContact O-CB 3.47Å; K145-F149 PolarHBondContact O-N 3.32Å; K145-F149 VanDerWaalsContact O-N 3.11Å; H146-F149 PolarHBondContact O-N 2.73Å; F149-K151 PolarHBondContact O-N 3.48Å; F149-R152 PolarHBondContact O-N 3.49Å; F149-Y153 AromaticContact CD1-CD2 3.68Å; F149-Y153 HydrophobicContact CD1-CD2 3.68Å; F149-Y153 HydrophobicContact CD1-CE2 4.23Å; F149-Y153 HydrophobicContact CD2-CD2 4.12Å; F149-Y153 AromaticContact CD2-CE2 3.84Å; F149-Y153 HydrophobicContact CD2-CE2 3.84Å; F149-Y153 AromaticContact CE1-CD2 3.47Å; F149-Y153 HydrophobicContact CE1-CD2 3.47Å; F149-Y153 VanDerWaalsContact CE1-CD2 3.47Å; F149-Y153 AromaticContact CE1-CE2 3.91Å; F149-Y153 HydrophobicContact CE1-CE2 3.91Å; F149-Y153 HydrophobicContact CE1-CG 4.4Å; F149-Y153 AromaticContact CE2-CD2 3.94Å; F149-Y153 HydrophobicContact CE2-CD2 3.94Å; F149-Y153 AromaticContact CE2-CE2 3.49Å; F149-Y153 HydrophobicContact CE2-CE2 3.49Å; F149-Y153 VanDerWaalsContact CE2-CE2 3.49Å; F149-Y153 HydrophobicContact CG-CD2 4.01Å; F149-Y153 HydrophobicContact CG-CE2 4.2Å; F149-Y153 AromaticContact CZ-CD2 3.61Å; F149-Y153 HydrophobicContact CZ-CD2 3.61Å; F149-Y153 AromaticContact CZ-CE2 3.52Å; F149-Y153 HydrophobicContact CZ-CE2 3.52Å; F149-Y153 VanDerWaalsContact O-CD2 3.32Å; F149-Y153 WeakPolarHBondContact O-CD2 3.5Å; F149-Y153 PolarHBondContact O-N 3.13Å; F149-Y153 VanDerWaalsContact O-N 3.12Å; F149-M155 HydrophobicContact CD1-SD 4.41Å; F149-M155 HydrophobicContact CE1-CE 4.09Å; F149-M155 HydrophobicContact CE1-SD 4.12Å
150S98.2Very high97.9Very high4 Ų466.8 Ų66.83%0.02832%0.316CS..Hα-helixtrans-63.6-41.3-179.170.80000111.9H146 Q147 Y153 H154 M155H146-S150 PolarHBondContact O-N 3.04Å; H146-S150 PolarHBondContact O-OG 3.37Å; Q147-S150 PolarHBondContact O-OG 3.41Å; Q147-S150 VanDerWaalsContact O-OG 3.13Å; S150-Y153 CarbonylContact O-C 3.55Å; S150-Y153 PolarHBondContact O-N 2.89Å; S150-H154 PolarHBondContact O-N 3.27Å; S150-M155 PolarHBondContact O-N 3.15Å
151K98.1Very high97.9Very high151 Ų15164.3 Ų64.366%0.65730%0.296SS*.Hα-helixtrans-63.4-46174.7-74.1174.5-178.1177.40111.9Q147 F149 Y153 H154Q147-K151 WeakPolarHBondContact O-CB 3.33Å; Q147-K151 VanDerWaalsContact O-CG 3.23Å; Q147-K151 WeakPolarHBondContact O-CG 3.45Å; Q147-K151 PolarHBondContact O-N 3.25Å; F149-K151 PolarHBondContact O-N 3.48Å; K151-Y153 PolarHBondContact O-N 2.94Å; K151-H154 PolarHBondContact O-N 3.16Å
152R97.6Very high97.9Very high148 Ų14864.7 Ų64.756%0.55830%0.3SS*.Hα-helixtrans-59-35.2-179.1-177.9-179.9-65.1-170.6-0.5112.7E148 F149E148-R152 WeakPolarHBondContact O-CB 3.34Å; E148-R152 PolarHBondContact O-N 2.81Å; E148-R152 IonicContact OE1-CZ 3.11Å; E148-R152 IonicContact OE1-NH2 3.28Å; E148-R152 PolarHBondContact OE1-NH2 3.43Å; F149-R152 PolarHBondContact O-N 3.49Å
153Y96.4Very high97.9Very high42 Ų4261.7 Ų61.717%0.16529%0.286CS..THydrogen-bonded Turntrans-109.216.8-178.2-62.5-69.8000113.6Y109 F149 S150 K151 M155Y109-Y153 HydrophobicContact CD1-CD1 4.06Å; Y109-Y153 AromaticContact CD1-CE1 3.99Å; Y109-Y153 HydrophobicContact CD1-CE1 3.99Å; Y109-Y153 AromaticContact CE1-CD1 3.44Å; Y109-Y153 HydrophobicContact CE1-CD1 3.44Å; Y109-Y153 VanDerWaalsContact CE1-CD1 3.44Å; Y109-Y153 AromaticContact CE1-CE1 3.51Å; Y109-Y153 HydrophobicContact CE1-CE1 3.51Å; Y109-Y153 HydrophobicContact CE1-CG 4.36Å; Y109-Y153 HydrophobicContact CE2-CD1 4.05Å; Y109-Y153 HydrophobicContact CE2-CG 4.37Å; Y109-Y153 AromaticContact CZ-CD1 3.43Å; Y109-Y153 VanDerWaalsContact CZ-CD1 3.43Å; F149-Y153 AromaticContact CD1-CD2 3.68Å; F149-Y153 HydrophobicContact CD1-CD2 3.68Å; F149-Y153 HydrophobicContact CD1-CE2 4.23Å; F149-Y153 HydrophobicContact CD2-CD2 4.12Å; F149-Y153 AromaticContact CD2-CE2 3.84Å; F149-Y153 HydrophobicContact CD2-CE2 3.84Å; F149-Y153 AromaticContact CE1-CD2 3.47Å; F149-Y153 HydrophobicContact CE1-CD2 3.47Å; F149-Y153 VanDerWaalsContact CE1-CD2 3.47Å; F149-Y153 AromaticContact CE1-CE2 3.91Å; F149-Y153 HydrophobicContact CE1-CE2 3.91Å; F149-Y153 HydrophobicContact CE1-CG 4.4Å; F149-Y153 AromaticContact CE2-CD2 3.94Å; F149-Y153 HydrophobicContact CE2-CD2 3.94Å; F149-Y153 AromaticContact CE2-CE2 3.49Å; F149-Y153 HydrophobicContact CE2-CE2 3.49Å; F149-Y153 VanDerWaalsContact CE2-CE2 3.49Å; F149-Y153 HydrophobicContact CG-CD2 4.01Å; F149-Y153 HydrophobicContact CG-CE2 4.2Å; F149-Y153 AromaticContact CZ-CD2 3.61Å; F149-Y153 HydrophobicContact CZ-CD2 3.61Å; F149-Y153 AromaticContact CZ-CE2 3.52Å; F149-Y153 HydrophobicContact CZ-CE2 3.52Å; F149-Y153 VanDerWaalsContact O-CD2 3.32Å; F149-Y153 WeakPolarHBondContact O-CD2 3.5Å; F149-Y153 PolarHBondContact O-N 3.13Å; F149-Y153 VanDerWaalsContact O-N 3.12Å; S150-Y153 CarbonylContact O-C 3.55Å; S150-Y153 PolarHBondContact O-N 2.89Å; K151-Y153 PolarHBondContact O-N 2.94Å; Y153-M155 VanDerWaalsContact C-N 3.28Å; Y153-M155 HydrophobicContact CG-CE 4.41Å; Y153-M155 WeakPolarHBondContact O-CG 3.41Å; Y153-M155 PolarHBondContact O-N 3.38Å
154H96.1Very high97.8Very high170 Ų17063.6 Ų63.679%0.78730%0.296SS*.THydrogen-bonded Turntrans51.541.9177-54.7-72.9000114.5S150 K151S150-H154 PolarHBondContact O-N 3.27Å; K151-H154 PolarHBondContact O-N 3.16Å
155M98Very high97.6Very high13 Ų1359 Ų596%0.06428%0.282CS..  trans-97143.6-179.9-54.6-177172.800110.9F92 Y109 L126 L128 F149 S150 Y153F92-M155 HydrophobicContact CD2-CE 3.67Å; F92-M155 HydrophobicContact CD2-SD 3.93Å; F92-M155 HydrophobicContact CE2-CE 3.59Å; F92-M155 HydrophobicContact CE2-SD 4.38Å; Y109-M155 HydrophobicContact CD2-CE 3.32Å; Y109-M155 HydrophobicContact CE2-CE 3.81Å; Y109-M155 HydrophobicContact CG-CE 4.14Å; L126-M155 HydrophobicContact CB-CB 4.43Å; L126-M155 HydrophobicContact CB-CE 4.45Å; L126-M155 HydrophobicContact CB-CG 3.82Å; L126-M155 HydrophobicContact CD1-CE 4.23Å; L126-M155 VanDerWaalsContact O-CA 3.31Å; L126-M155 WeakPolarHBondContact O-CA 3.29Å; L128-M155 HydrophobicContact CB-CB 4.28Å; L128-M155 HydrophobicContact CB-SD 3.97Å; F149-M155 HydrophobicContact CD1-SD 4.41Å; F149-M155 HydrophobicContact CE1-CE 4.09Å; F149-M155 HydrophobicContact CE1-SD 4.12Å; S150-M155 PolarHBondContact O-N 3.15Å; Y153-M155 VanDerWaalsContact C-N 3.28Å; Y153-M155 HydrophobicContact CG-CE 4.41Å; Y153-M155 WeakPolarHBondContact O-CG 3.41Å; Y153-M155 PolarHBondContact O-N 3.38Å
156L98.1Very high97.5Very high43 Ų4357.2 Ų57.223%0.22528%0.277CS..EExtended strand (participates in β ladder)trans-59.6148.3158.3-69177.7000109L126 T127 L128 F158 E178L126-L156 PolarHBondContact O-N 3.25Å; T127-L156 CarbonylContact C-O 3.47Å; T127-L156 WeakPolarHBondContact CA-O 3.37Å; T127-L156 HydrophobicContact CG2-CB 3.97Å; L128-L156 PolarHBondContact N-O 3.15Å; L156-F158 HydrophobicContact CB-CE2 3.96Å; L156-E178 HydrophobicContact CD1-CB 4.03Å; L156-E178 HydrophobicContact CD1-CG 4.27Å
157S98Very high97.4Very high57 Ų5758.4 Ų58.440%0.39929%0.286SS..EExtended strand (participates in β ladder)trans-129.6133.3-175.350.50000112.3L128 H146L128-S157 WeakPolarHBondContact O-CA 3.38Å; H146-S157 VanDerWaalsContact NE2-CB 3.34Å; H146-S157 WeakPolarHBondContact NE2-CB 3.31Å
158F98.5Very high97.4Very high18 Ų1854.1 Ų54.18%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-138.7148.6176.7-62.4-89000111.8T127 L128 V129 G130 H146 L156 T160 L170 C171 K174T127-F158 HydrophobicContact CG2-CD2 3.65Å; T127-F158 HydrophobicContact CG2-CE2 3.81Å; L128-F158 PolarHBondContact O-N 2.99Å; V129-F158 WeakPolarHBondContact CA-O 3.46Å; V129-F158 HydrophobicContact CG2-CB 4.38Å; G130-F158 PolarHBondContact N-O 2.81Å; H146-F158 PolarHBondContact CE1-O 2.69Å; L156-F158 HydrophobicContact CB-CE2 3.96Å; F158-T160 HydrophobicContact CB-CG2 3.9Å; F158-L170 HydrophobicContact CE1-CD2 4.48Å; F158-L170 HydrophobicContact CE1-CG 4.18Å; F158-C171 HydrophobicContact CD1-CB 4.12Å; F158-C171 HydrophobicContact CD2-CB 4.07Å; F158-C171 VanDerWaalsContact CD2-SG 3.54Å; F158-C171 HydrophobicContact CE1-CB 4.38Å; F158-C171 HydrophobicContact CE2-CB 4.32Å; F158-C171 HydrophobicContact CG-CB 3.98Å; F158-C171 HydrophobicContact CZ-CB 4.49Å; F158-K174 HydrophobicContact CE1-CD 3.89Å; F158-K174 HydrophobicContact CZ-CB 3.73Å; F158-K174 HydrophobicContact CZ-CD 3.64Å; F158-K174 HydrophobicContact CZ-CG 4.25Å
159Q98.2Very high97.3Very high40 Ų4050.4 Ų50.419%0.18725%0.254CS..EExtended strand (participates in β ladder)trans-111.1130.2159.8-61.8-65.5-58.800106.7Y94 V96 G130 R139 L143 H146 S167Y94-Q159 PolarHBondContact OH-NE2 3.38Å; V96-Q159 VanDerWaalsContact CG1-OE1 3.3Å; G130-Q159 CarbonylContact O-C 3.58Å; G130-Q159 WeakPolarHBondContact O-CA 3.35Å; R139-Q159 VanDerWaalsContact NH1-OE1 3.08Å; L143-Q159 HydrophobicContact CD2-CG 3.86Å; H146-Q159 PolarHBondContact CE1-NE2 3.49Å; H146-Q159 PolarHBondContact ND1-NE2 3.35Å; H146-Q159 VanDerWaalsContact ND1-NE2 3.16Å; H146-Q159 PolarHBondContact NE2-NE2 2.77Å; Q159-S167 WeakPolarHBondContact O-CB 3.2Å
160T98.2Very high97.1Very high1 Ų150.4 Ų50.41%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-137.8147.8-168.863.30000111.4F29 V129 G130 M131 K132 S133 F158 D166F29-T160 HydrophobicContact CE2-CG2 3.92Å; V129-T160 HydrophobicContact CG1-CG2 3.66Å; V129-T160 WeakPolarHBondContact CG1-OG1 3.23Å; G130-T160 PolarHBondContact O-N 2.77Å; G130-T160 PolarHBondContact O-OG1 3.37Å; M131-T160 CarbonylContact C-O 3.54Å; M131-T160 WeakPolarHBondContact CA-O 3.44Å; K132-T160 PolarHBondContact N-O 2.87Å; S133-T160 PolarHBondContact N-O 3.27Å; S133-T160 PolarHBondContact OG-O 3.08Å; S133-T160 VanDerWaalsContact OG-O 3.12Å; F158-T160 HydrophobicContact CB-CG2 3.9Å; T160-D166 VanDerWaalsContact CA-O 3.29Å; T160-D166 WeakPolarHBondContact CA-O 3.39Å
161S98.1Very high97.1Very high0 Ų050.2 Ų50.20%025%0.253CS..  trans-123.4112.3168.5178.30000109.2S133 D134 K163 L164 G165 D166S133-S161 PolarHBondContact OG-N 2.97Å; D134-S161 WeakPolarHBondContact CB-OG 3.35Å; D134-S161 VanDerWaalsContact OD1-CB 3.31Å; D134-S161 WeakPolarHBondContact OD1-CB 3.34Å; D134-S161 PolarHBondContact OD1-OG 3.23Å; S161-K163 PolarHBondContact O-N 3.4Å; S161-K163 PolarHBondContact OG-N 2.68Å; S161-L164 PolarHBondContact OG-N 2.88Å; S161-G165 CarbonylContact O-C 3.5Å; S161-G165 VanDerWaalsContact O-CA 3.27Å; S161-G165 WeakPolarHBondContact O-CA 3.46Å; S161-G165 PolarHBondContact O-N 3.2Å; S161-D166 PolarHBondContact N-O 3.35Å; S161-D166 VanDerWaalsContact N-O 3.16Å; S161-D166 PolarHBondContact O-N 2.93Å; S161-D166 VanDerWaalsContact O-N 3.13Å
162A97.3Very high97.1Very high12 Ų1243.1 Ų43.110%0.09922%0.223CC..THydrogen-bonded Turntrans-65.3-29.7169.400000111.4A28 R32 F38A28-A162 HydrophobicContact CB-CB 3.94Å; R32-A162 HydrophobicContact CB-CB 4.33Å; R32-A162 PolarHBondContact NE-O 2.95Å; R32-A162 PolarHBondContact NH2-O 3.41Å; F38-A162 HydrophobicContact CD2-CB 4.04Å; F38-A162 HydrophobicContact CE2-CB 4.29Å
163K96.9Very high97Very high90 Ų9036.2 Ų36.239%0.39120%0.197SC..THydrogen-bonded Turntrans-65-52177.8-175.7165.8179.7158.80111.1R32 F38 E40 S161R32-K163 PolarHBondContact NH2-O 3.18Å; F38-K163 HydrophobicContact CD1-CB 4.14Å; F38-K163 HydrophobicContact CD1-CG 3.96Å; F38-K163 HydrophobicContact CD2-CB 4.26Å; F38-K163 HydrophobicContact CE1-CB 3.81Å; F38-K163 HydrophobicContact CE1-CD 3.89Å; F38-K163 HydrophobicContact CE1-CG 3.63Å; F38-K163 HydrophobicContact CE2-CB 3.96Å; F38-K163 HydrophobicContact CG-CB 4.34Å; F38-K163 HydrophobicContact CZ-CB 3.73Å; F38-K163 HydrophobicContact CZ-CD 4.21Å; F38-K163 HydrophobicContact CZ-CG 4.04Å; E40-K163 IonicContact OE1-NZ 2.83Å; E40-K163 PolarHBondContact OE1-NZ 2.83Å; E40-K163 VanDerWaalsContact OE1-NZ 3.15Å; S161-K163 PolarHBondContact O-N 3.4Å; S161-K163 PolarHBondContact OG-N 2.68Å
164L95.9Very high97Very high108 Ų10838.1 Ų38.157%0.56521%0.206SC*.THydrogen-bonded Turntrans-86.8-17-177.7-56.6-178.7000113.9D134 S161 D166D134-L164 HydrophobicContact CB-CD1 3.69Å; D134-L164 HydrophobicContact CB-CG 3.96Å; S161-L164 PolarHBondContact OG-N 2.88Å; L164-D166 VanDerWaalsContact C-N 3.3Å
165G95.3Very high97Very high27 Ų2730 Ų3028%0.27817%0.169SC..  trans86.4-1.4-172.600000113.9S161 S167 V168S161-G165 CarbonylContact O-C 3.5Å; S161-G165 VanDerWaalsContact O-CA 3.27Å; S161-G165 WeakPolarHBondContact O-CA 3.46Å; S161-G165 PolarHBondContact O-N 3.2Å; G165-S167 PolarHBondContact O-N 3.46Å; G165-V168 PolarHBondContact O-N 2.96Å
166D95.9Very high96.9Very high43 Ų4329.6 Ų29.623%0.2317%0.167CC..THydrogen-bonded Turntrans-58.7123.8-173.2-66.6-21.2000112.6T160 S161 L164 V168T160-D166 VanDerWaalsContact CA-O 3.29Å; T160-D166 WeakPolarHBondContact CA-O 3.39Å; S161-D166 PolarHBondContact N-O 3.35Å; S161-D166 VanDerWaalsContact N-O 3.16Å; S161-D166 PolarHBondContact O-N 2.93Å; S161-D166 VanDerWaalsContact O-N 3.13Å; L164-D166 VanDerWaalsContact C-N 3.3Å; D166-V168 PolarHBondContact O-N 3.01Å
167S96.1Very high96.8Very high32 Ų3227.7 Ų27.722%0.22416%0.157CC..THydrogen-bonded Turntrans56.69.1175.6-59.50000115.8Q159 G165 C171Q159-S167 WeakPolarHBondContact O-CB 3.2Å; G165-S167 PolarHBondContact O-N 3.46Å; S167-C171 VanDerWaalsContact O-CB 3.31Å; S167-C171 WeakPolarHBondContact O-CB 3.47Å; S167-C171 PolarHBondContact O-N 3.29Å
168V97.5Very high96.6Very high2 Ų229.5 Ų29.51%0.01216%0.159CC..Hα-helixtrans-66.2-57.4-178175.50000110.6F29 R32 F33 G165 D166 L170 C171 F172F29-V168 HydrophobicContact CD2-CB 4.28Å; F29-V168 HydrophobicContact CD2-CG1 3.83Å; F29-V168 HydrophobicContact CD2-CG2 3.81Å; F29-V168 HydrophobicContact CE2-CB 4.02Å; F29-V168 HydrophobicContact CE2-CG1 3.73Å; F29-V168 HydrophobicContact CE2-CG2 3.89Å; F29-V168 HydrophobicContact CG-CG1 4.47Å; F29-V168 HydrophobicContact CZ-CG1 4.31Å; R32-V168 HydrophobicContact CB-CG1 4.32Å; R32-V168 HydrophobicContact CG-CB 4.11Å; R32-V168 HydrophobicContact CG-CG1 3.95Å; R32-V168 HydrophobicContact CG-CG2 3.95Å; F33-V168 HydrophobicContact CB-CG1 3.8Å; G165-V168 PolarHBondContact O-N 2.96Å; D166-V168 PolarHBondContact O-N 3.01Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 3.45Å; V168-C171 WeakPolarHBondContact O-CB 3.36Å; V168-C171 PolarHBondContact O-N 3.13Å; V168-F172 HydrophobicContact CG1-CE2 4.38Å; V168-F172 WeakPolarHBondContact O-CD2 3.49Å; V168-F172 PolarHBondContact O-N 3.16Å
169A95.8Very high96.5Very high32 Ų3230.5 Ų30.526%0.26417%0.167SC..Hα-helixtrans-67.3-33.3178.900000112.4F33 C171 F172 L173 N192F33-A169 HydrophobicContact CD2-CB 4.2Å; F33-A169 HydrophobicContact CE2-CB 4.32Å; A169-C171 VanDerWaalsContact C-N 3.33Å; A169-C171 PolarHBondContact O-N 3.11Å; A169-F172 PolarHBondContact O-N 3.36Å; A169-L173 WeakPolarHBondContact O-CB 3.5Å; A169-L173 PolarHBondContact O-N 2.99Å; A169-N192 WeakPolarHBondContact CB-OD1 3.27Å
170L95.7Very high96.2Very high25 Ų2530 Ų3013%0.13117%0.165CC..Hα-helixtrans-60.5-40.7172.7-173.759.3000112.5F158 V168 L173 K174 L189 N192F158-L170 HydrophobicContact CE1-CD2 4.48Å; F158-L170 HydrophobicContact CE1-CG 4.18Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 3.45Å; L170-L173 PolarHBondContact O-N 2.92Å; L170-K174 HydrophobicContact CD1-CD 4.29Å; L170-K174 HydrophobicContact CD1-CG 4.24Å; L170-K174 HydrophobicContact CG-CD 4.41Å; L170-K174 WeakPolarHBondContact O-CB 3.31Å; L170-K174 PolarHBondContact O-N 3.03Å; L170-L189 HydrophobicContact CD1-CD2 3.71Å; L170-N192 HydrophobicContact CB-CB 3.95Å; L170-N192 HydrophobicContact CD1-CB 4.16Å; L170-N192 PolarHBondContact N-OD1 2.86Å
171C97.8Very high95.9Very high0 Ų033.3 Ų33.30%020%0.2CC..Hα-helixtrans-59.2-54.3177.7-177.80000110.3F29 F158 S167 V168 A169 L173 K174 T175F29-C171 HydrophobicContact CZ-CB 4.05Å; F158-C171 HydrophobicContact CD1-CB 4.12Å; F158-C171 HydrophobicContact CD2-CB 4.07Å; F158-C171 VanDerWaalsContact CD2-SG 3.54Å; F158-C171 HydrophobicContact CE1-CB 4.38Å; F158-C171 HydrophobicContact CE2-CB 4.32Å; F158-C171 HydrophobicContact CG-CB 3.98Å; F158-C171 HydrophobicContact CZ-CB 4.49Å; S167-C171 VanDerWaalsContact O-CB 3.31Å; S167-C171 WeakPolarHBondContact O-CB 3.47Å; S167-C171 PolarHBondContact O-N 3.29Å; V168-C171 WeakPolarHBondContact O-CB 3.36Å; V168-C171 PolarHBondContact O-N 3.13Å; A169-C171 VanDerWaalsContact C-N 3.33Å; A169-C171 PolarHBondContact O-N 3.11Å; C171-L173 PolarHBondContact O-N 3.11Å; C171-K174 PolarHBondContact O-N 2.79Å; C171-T175 WeakPolarHBondContact O-CB 3.41Å; C171-T175 PolarHBondContact O-N 2.66Å; C171-T175 PolarHBondContact O-OG1 3.25Å
172F97.2Very high95.6Very high2 Ų235.5 Ų35.51%0.00921%0.213CC..Hα-helixtrans-61.1-42.7178.7-75.7-78000112.5V16 F29 F33 L65 I67 I91 V168 A169 K174 T175 A176V16-F172 HydrophobicContact CG1-CE1 4.38Å; F29-F172 AromaticContact CD1-CE2 3.83Å; F29-F172 HydrophobicContact CD1-CE2 3.83Å; F29-F172 AromaticContact CD1-CZ 3.93Å; F29-F172 HydrophobicContact CD1-CZ 3.93Å; F29-F172 HydrophobicContact CE1-CD2 4.13Å; F29-F172 HydrophobicContact CE1-CE1 4.41Å; F29-F172 AromaticContact CE1-CE2 3.18Å; F29-F172 HydrophobicContact CE1-CE2 3.18Å; F29-F172 AromaticContact CE1-CZ 3.36Å; F29-F172 HydrophobicContact CE1-CZ 3.36Å; F29-F172 HydrophobicContact CE2-CE2 4.45Å; F29-F172 HydrophobicContact CZ-CD2 4.1Å; F29-F172 AromaticContact CZ-CE2 3.54Å; F29-F172 HydrophobicContact CZ-CE2 3.54Å; F29-F172 HydrophobicContact CZ-CZ 4.15Å; F33-F172 HydrophobicContact CB-CD2 3.75Å; F33-F172 HydrophobicContact CB-CE2 3.46Å; F33-F172 VanDerWaalsContact CB-CE2 3.46Å; F33-F172 HydrophobicContact CB-CZ 4.29Å; F33-F172 HydrophobicContact CD1-CD1 4.17Å; F33-F172 AromaticContact CD1-CD2 3.63Å; F33-F172 HydrophobicContact CD1-CD2 3.63Å; F33-F172 HydrophobicContact CD1-CE1 4.25Å; F33-F172 AromaticContact CD1-CE2 3.72Å; F33-F172 HydrophobicContact CD1-CE2 3.72Å; F33-F172 AromaticContact CD1-CG 3.86Å; F33-F172 HydrophobicContact CD1-CG 3.86Å; F33-F172 HydrophobicContact CD1-CZ 4.03Å; F33-F172 HydrophobicContact CD2-CB 4.11Å; F33-F172 AromaticContact CD2-CD2 3.43Å; F33-F172 HydrophobicContact CD2-CD2 3.43Å; F33-F172 VanDerWaalsContact CD2-CD2 3.43Å; F33-F172 HydrophobicContact CD2-CE2 4.08Å; F33-F172 AromaticContact CD2-CG 3.96Å; F33-F172 HydrophobicContact CD2-CG 3.96Å; F33-F172 HydrophobicContact CE1-CB 4.11Å; F33-F172 HydrophobicContact CE1-CD1 4.07Å; F33-F172 HydrophobicContact CE1-CD2 4.05Å; F33-F172 HydrophobicContact CE1-CE2 4.49Å; F33-F172 AromaticContact CE1-CG 3.81Å; F33-F172 HydrophobicContact CE1-CG 3.81Å; F33-F172 HydrophobicContact CE2-CB 3.63Å; F33-F172 AromaticContact CE2-CD2 3.88Å; F33-F172 HydrophobicContact CE2-CD2 3.88Å; F33-F172 AromaticContact CE2-CG 3.92Å; F33-F172 HydrophobicContact CE2-CG 3.92Å; F33-F172 AromaticContact CG-CD2 3.28Å; F33-F172 HydrophobicContact CG-CD2 3.28Å; F33-F172 AromaticContact CG-CE2 3.47Å; F33-F172 HydrophobicContact CG-CE2 3.47Å; F33-F172 VanDerWaalsContact CG-CE2 3.47Å; F33-F172 AromaticContact CG-CG 3.93Å; F33-F172 HydrophobicContact CG-CG 3.93Å; F33-F172 HydrophobicContact CG-CZ 4.23Å; F33-F172 HydrophobicContact CZ-CB 3.63Å; F33-F172 HydrophobicContact CZ-CD1 4.44Å; F33-F172 HydrophobicContact CZ-CD2 4.16Å; F33-F172 AromaticContact CZ-CG 3.84Å; F33-F172 HydrophobicContact CZ-CG 3.84Å; L65-F172 HydrophobicContact CD1-CB 4.29Å; L65-F172 HydrophobicContact CD1-CD1 4.39Å; I67-F172 HydrophobicContact CD1-CD1 3.97Å; I67-F172 HydrophobicContact CD1-CE1 3.47Å; I67-F172 VanDerWaalsContact CD1-CE1 3.47Å; I67-F172 HydrophobicContact CD1-CZ 3.97Å; I67-F172 HydrophobicContact CG1-CD1 4.48Å; I67-F172 HydrophobicContact CG1-CE1 3.84Å; I67-F172 HydrophobicContact CG2-CE1 4.42Å; I91-F172 HydrophobicContact CD1-CD1 4.39Å; I91-F172 HydrophobicContact CD1-CE1 4.01Å; I91-F172 HydrophobicContact CD1-CZ 4.45Å; V168-F172 HydrophobicContact CG1-CE2 4.38Å; V168-F172 WeakPolarHBondContact O-CD2 3.49Å; V168-F172 PolarHBondContact O-N 3.16Å; A169-F172 PolarHBondContact O-N 3.36Å; F172-K174 PolarHBondContact O-N 3.21Å; F172-T175 PolarHBondContact O-N 3.22Å; F172-A176 WeakPolarHBondContact O-CB 3.39Å; F172-A176 PolarHBondContact O-N 3.38Å
173L95.5Very high95.3Very high3 Ų342.1 Ų42.12%0.01625%0.246CC..Hα-helixtrans-57.5-51.8177.7179.769.8000111.6L57 A169 L170 C171 A176 S177 P184 E188L57-L173 HydrophobicContact CD1-CD1 3.63Å; A169-L173 WeakPolarHBondContact O-CB 3.5Å; A169-L173 PolarHBondContact O-N 2.99Å; L170-L173 PolarHBondContact O-N 2.92Å; C171-L173 PolarHBondContact O-N 3.11Å; L173-A176 PolarHBondContact O-N 3.09Å; L173-S177 VanDerWaalsContact O-CB 3.31Å; L173-S177 WeakPolarHBondContact O-CB 3.46Å; L173-S177 PolarHBondContact O-N 3.29Å; L173-S177 PolarHBondContact O-OG 3.12Å; L173-P184 HydrophobicContact CD2-CB 4.13Å; L173-P184 HydrophobicContact CG-CB 4.25Å; L173-E188 HydrophobicContact CD2-CB 3.88Å
174K96.3Very high94.9Very high82 Ų8239 Ų3936%0.35724%0.235SC..Hα-helixtrans-68.3-39-179.2-81-172.7171.3-178.40112.2F158 L170 C171 F172 S177 E178F158-K174 HydrophobicContact CE1-CD 3.89Å; F158-K174 HydrophobicContact CZ-CB 3.73Å; F158-K174 HydrophobicContact CZ-CD 3.64Å; F158-K174 HydrophobicContact CZ-CG 4.25Å; L170-K174 HydrophobicContact CD1-CD 4.29Å; L170-K174 HydrophobicContact CD1-CG 4.24Å; L170-K174 HydrophobicContact CG-CD 4.41Å; L170-K174 WeakPolarHBondContact O-CB 3.31Å; L170-K174 PolarHBondContact O-N 3.03Å; C171-K174 PolarHBondContact O-N 2.79Å; F172-K174 PolarHBondContact O-N 3.21Å; K174-S177 PolarHBondContact O-N 2.6Å; K174-E178 WeakPolarHBondContact O-CB 3.41Å; K174-E178 PolarHBondContact O-N 3.03Å
175T97.3Very high94.5Very high1 Ų138.8 Ų38.81%0.00623%0.231CC..Hα-helixtrans-60.6-47.4174.9-62.80000110.8A89 T127 C171 F172 S177 E178 V179A89-T175 HydrophobicContact CB-CG2 3.4Å; A89-T175 VanDerWaalsContact CB-CG2 3.4Å; T127-T175 PolarHBondContact OG1-OG1 2.78Å; C171-T175 WeakPolarHBondContact O-CB 3.41Å; C171-T175 PolarHBondContact O-N 2.66Å; C171-T175 PolarHBondContact O-OG1 3.25Å; F172-T175 PolarHBondContact O-N 3.22Å; T175-S177 PolarHBondContact O-N 3.04Å; T175-E178 PolarHBondContact O-N 2.77Å; T175-V179 VanDerWaalsContact O-CG2 3.31Å; T175-V179 WeakPolarHBondContact O-CG2 3.33Å; T175-V179 PolarHBondContact O-N 3.03Å; T175-V179 VanDerWaalsContact O-N 3.11Å
176A95.6Very high94Very high3 Ų346 Ų463%0.02525%0.25CC..Hα-helixtrans-63.4-41.2177.400000112.3L14 L65 F172 L173 V179 L180L14-A176 HydrophobicContact CD1-CB 3.87Å; L65-A176 HydrophobicContact CD2-CB 3.97Å; F172-A176 WeakPolarHBondContact O-CB 3.39Å; F172-A176 PolarHBondContact O-N 3.38Å; L173-A176 PolarHBondContact O-N 3.09Å; A176-V179 PolarHBondContact O-N 3.15Å; A176-L180 WeakPolarHBondContact O-CB 3.25Å; A176-L180 VanDerWaalsContact O-CG 3.32Å; A176-L180 WeakPolarHBondContact O-CG 3.42Å; A176-L180 PolarHBondContact O-N 3Å
177S94.8Very high93.4Very high3 Ų346.2 Ų46.22%0.02126%0.255CS..Hα-helixtrans-63.4-43178.9-59.30000112.3L57 L173 K174 T175 L180 G181 V182 P184L57-S177 VanDerWaalsContact CD1-OG 3.27Å; L57-S177 WeakPolarHBondContact CD1-OG 3.45Å; L173-S177 VanDerWaalsContact O-CB 3.31Å; L173-S177 WeakPolarHBondContact O-CB 3.46Å; L173-S177 PolarHBondContact O-N 3.29Å; L173-S177 PolarHBondContact O-OG 3.12Å; K174-S177 PolarHBondContact O-N 2.6Å; T175-S177 PolarHBondContact O-N 3.04Å; S177-L180 CarbonylContact O-C 3.6Å; S177-L180 PolarHBondContact O-N 3.38Å; S177-G181 PolarHBondContact O-N 3.24Å; S177-V182 CarbonylContact C-O 3.54Å; S177-V182 WeakPolarHBondContact CB-O 3.34Å; S177-V182 PolarHBondContact O-N 3.31Å; S177-P184 WeakPolarHBondContact OG-CG 3.32Å
178E95.4Very high92.8Very high95 Ų9545.4 Ų45.444%0.44425%0.248SC..Hα-helixtrans-65.9-42.5177.9-173.667.2-156.600111.8Q125 L156 K174 T175 L180 G181Q125-E178 HydrophobicContact CG-CB 4.14Å; Q125-E178 HydrophobicContact CG-CG 3.87Å; L156-E178 HydrophobicContact CD1-CB 4.03Å; L156-E178 HydrophobicContact CD1-CG 4.27Å; K174-E178 WeakPolarHBondContact O-CB 3.41Å; K174-E178 PolarHBondContact O-N 3.03Å; T175-E178 PolarHBondContact O-N 2.77Å; E178-L180 VanDerWaalsContact C-N 3.28Å; E178-L180 PolarHBondContact O-N 2.85Å; E178-G181 PolarHBondContact O-N 3.16Å
179V94.8Very high92.2Very high40 Ų4048.2 Ų48.224%0.24226%0.262CS..Hα-helixtrans-58.8-41.8173.6169.80000111.3L14 D88 A89 Q125 T175 A176 G181L14-V179 HydrophobicContact CD1-CB 4.13Å; L14-V179 HydrophobicContact CD1-CG1 3.95Å; L14-V179 HydrophobicContact CD2-CG1 3.61Å; L14-V179 HydrophobicContact CG-CG1 4.36Å; D88-V179 HydrophobicContact CB-CG1 3.88Å; D88-V179 HydrophobicContact CB-CG2 4.36Å; A89-V179 HydrophobicContact CB-CG2 3.97Å; Q125-V179 HydrophobicContact CB-CG2 3.49Å; Q125-V179 VanDerWaalsContact CB-CG2 3.49Å; Q125-V179 HydrophobicContact CG-CG2 4.16Å; T175-V179 VanDerWaalsContact O-CG2 3.31Å; T175-V179 WeakPolarHBondContact O-CG2 3.33Å; T175-V179 PolarHBondContact O-N 3.03Å; T175-V179 VanDerWaalsContact O-N 3.11Å; A176-V179 PolarHBondContact O-N 3.15Å; V179-G181 VanDerWaalsContact C-N 3.33Å
180L93.3Very high91.5Very high28 Ų2851.8 Ų51.815%0.14727%0.274CS..Hα-helixtrans-84.6-5.6-177-67.6170.1000113.6L14 L57 M61 V63 A176 S177 E178 V182L14-L180 HydrophobicContact CD1-CD1 4.03Å; L14-L180 HydrophobicContact CD1-CG 4.02Å; L14-L180 HydrophobicContact CD2-CD2 4.02Å; L14-L180 HydrophobicContact CD2-CG 4.38Å; L57-L180 HydrophobicContact CD2-CD1 4.13Å; M61-L180 HydrophobicContact CE-CD1 3.61Å; M61-L180 HydrophobicContact SD-CD1 4.41Å; V63-L180 HydrophobicContact CB-CD1 4.4Å; V63-L180 HydrophobicContact CG1-CD1 3.97Å; V63-L180 HydrophobicContact CG2-CD1 3.51Å; A176-L180 WeakPolarHBondContact O-CB 3.25Å; A176-L180 VanDerWaalsContact O-CG 3.32Å; A176-L180 WeakPolarHBondContact O-CG 3.42Å; A176-L180 PolarHBondContact O-N 3Å; S177-L180 CarbonylContact O-C 3.6Å; S177-L180 PolarHBondContact O-N 3.38Å; E178-L180 VanDerWaalsContact C-N 3.28Å; E178-L180 PolarHBondContact O-N 2.85Å; L180-V182 VanDerWaalsContact C-N 3.27Å; L180-V182 HydrophobicContact CB-CG1 4.49Å; L180-V182 HydrophobicContact CB-CG2 4.05Å; L180-V182 PolarHBondContact O-N 2.68Å
181G92.3Very high90.7Very high72 Ų7255 Ų5574%0.74230%0.298SS*.THydrogen-bonded Turntrans65.129.3-177.700000113.6S177 E178 V179S177-G181 PolarHBondContact O-N 3.24Å; E178-G181 PolarHBondContact O-N 3.16Å; V179-G181 VanDerWaalsContact C-N 3.33Å
182V91.8Very high89.7Confident45 Ų4556.7 Ų56.727%0.27331%0.307SS..  trans-114.9149179.8-60.10000110.6L57 M61 S177 L180L57-V182 HydrophobicContact CD2-CG2 3.28Å; L57-V182 HydrophobicContact CG-CG2 4.01Å; M61-V182 HydrophobicContact CE-CG1 4.48Å; M61-V182 HydrophobicContact CE-CG2 4.29Å; S177-V182 CarbonylContact C-O 3.54Å; S177-V182 WeakPolarHBondContact CB-O 3.34Å; S177-V182 PolarHBondContact O-N 3.31Å; L180-V182 VanDerWaalsContact C-N 3.27Å; L180-V182 HydrophobicContact CB-CG1 4.49Å; L180-V182 HydrophobicContact CB-CG2 4.05Å; L180-V182 PolarHBondContact O-N 2.68Å
183L90.3Very high88.1Confident152 Ų15259.1 Ų59.180%0.79633%0.328SS*.PPolyproline II helixtrans-89.9127171.8-67.3174.5000109.1N58N58-L183 PolarHBondContact ND2-O 3.22Å; N58-L183 PolarHBondContact OD1-O 3.02Å; N58-L183 VanDerWaalsContact OD1-O 3.08Å
184P88.2Confident86.3Confident25 Ų2562.6 Ų62.616%0.16235%0.35CS..PPolyproline II helixtrans-65.1146.6173.432.4000111.2L57 N58 L173 S177 L189L57-P184 HydrophobicContact CD1-CB 4.09Å; N58-P184 WeakPolarHBondContact OD1-CA 3.44Å; L173-P184 HydrophobicContact CD2-CB 4.13Å; L173-P184 HydrophobicContact CG-CB 4.25Å; S177-P184 WeakPolarHBondContact OG-CG 3.32Å; P184-L189 HydrophobicContact CB-CD2 4.32Å; P184-L189 HydrophobicContact CB-CG 4.4Å; P184-L189 HydrophobicContact CG-CD2 4.17Å
185H88.3Confident84.6Confident103 Ų10364.6 Ų64.648%0.47737%0.369SS..PPolyproline II helixtrans-67.9148.5179.3-173.3-100.1000110.6N58 S187 E188 L189N58-H185 PolarHBondContact OD1-N 3.1Å; H185-S187 WeakPolarHBondContact ND1-CB 3.44Å; H185-S187 PolarHBondContact ND1-N 2.82Å; H185-S187 VanDerWaalsContact ND1-N 3.12Å; H185-S187 PolarHBondContact ND1-OG 3.28Å; H185-S187 PolarHBondContact O-N 3.16Å; H185-E188 HydrophobicContact CB-CG 4.28Å; H185-E188 PolarHBondContact N-OE2 3.14Å; H185-E188 WeakPolarHBondContact O-CB 3.34Å; H185-E188 PolarHBondContact O-N 3.43Å; H185-L189 PolarHBondContact O-N 3.14Å; H185-L189 VanDerWaalsContact O-N 3.12Å
186R85.1Confident82.7Confident177 Ų17772.2 Ų72.267%0.66841%0.409SS*.Hα-helixtrans-55.7-39.2-179.4-176.4174177166.94112.7E188 L189 E190R186-E188 VanDerWaalsContact C-N 3.3Å; R186-E188 PolarHBondContact O-N 3.5Å; R186-L189 WeakPolarHBondContact O-CB 3.36Å; R186-L189 PolarHBondContact O-N 3.28Å; R186-E190 HydrophobicContact CG-CG 4.33Å; R186-E190 WeakPolarHBondContact CG-OE1 3.12Å; R186-E190 IonicContact CZ-OE1 2.7Å; R186-E190 IonicContact NE-OE1 2.86Å; R186-E190 PolarHBondContact NE-OE1 2.93Å; R186-E190 IonicContact NH2-OE1 3.99Å; R186-E190 WeakPolarHBondContact O-CB 3.17Å; R186-E190 WeakPolarHBondContact O-CG 3.32Å; R186-E190 PolarHBondContact O-N 2.9Å
187S82.3Confident80.9Confident49 Ų4983.3 Ų83.334%0.34345%0.45SS..Hα-helixtrans-64-33.7176.768.30000112.9H185 E190 S191H185-S187 WeakPolarHBondContact ND1-CB 3.44Å; H185-S187 PolarHBondContact ND1-N 2.82Å; H185-S187 VanDerWaalsContact ND1-N 3.12Å; H185-S187 PolarHBondContact ND1-OG 3.28Å; H185-S187 PolarHBondContact O-N 3.16Å; S187-E190 PolarHBondContact O-N 3.3Å; S187-S191 VanDerWaalsContact O-CB 3.29Å; S187-S191 WeakPolarHBondContact O-CB 3.41Å; S187-S191 PolarHBondContact O-N 3.35Å; S187-S191 PolarHBondContact O-OG 3.12Å
188E84Confident79.1Confident14 Ų1487.4 Ų87.47%0.06548%0.484CS..Hα-helixtrans-69.7-41.8176.7-63.9176158.400109.7N58 N59 L173 H185 R186 E190 S191 N192N58-E188 WeakPolarHBondContact CA-OE1 3.46Å; N58-E188 PolarHBondContact N-OE1 2.94Å; N58-E188 PolarHBondContact N-OE2 2.8Å; N59-E188 PolarHBondContact N-OE1 3.3Å; L173-E188 HydrophobicContact CD2-CB 3.88Å; H185-E188 HydrophobicContact CB-CG 4.28Å; H185-E188 PolarHBondContact N-OE2 3.14Å; H185-E188 WeakPolarHBondContact O-CB 3.34Å; H185-E188 PolarHBondContact O-N 3.43Å; R186-E188 VanDerWaalsContact C-N 3.3Å; R186-E188 PolarHBondContact O-N 3.5Å; E188-E190 PolarHBondContact O-N 3.3Å; E188-S191 WeakPolarHBondContact CA-OG 3.5Å; E188-S191 PolarHBondContact O-N 3.25Å; E188-S191 PolarHBondContact O-OG 3.48Å; E188-N192 PolarHBondContact O-N 2.88Å; E188-N192 PolarHBondContact O-ND2 2.7Å
189L83.9Confident77.7Confident61 Ų6191.9 Ų91.932%0.31951%0.505SS..Hα-helixtrans-61.1-43.8173.4-64173.2000112L170 P184 H185 R186 N192 A193L170-L189 HydrophobicContact CD1-CD2 3.71Å; P184-L189 HydrophobicContact CB-CD2 4.32Å; P184-L189 HydrophobicContact CB-CG 4.4Å; P184-L189 HydrophobicContact CG-CD2 4.17Å; H185-L189 PolarHBondContact O-N 3.14Å; H185-L189 VanDerWaalsContact O-N 3.12Å; R186-L189 WeakPolarHBondContact O-CB 3.36Å; R186-L189 PolarHBondContact O-N 3.28Å; L189-N192 PolarHBondContact O-N 3.2Å; L189-A193 PolarHBondContact O-N 2.83Å
190E81.1Confident76.4Confident108 Ų10896.1 Ų96.151%0.50553%0.531SS..Hα-helixtrans-69.3-38.9179.7-73171.117700112.3R186 S187 E188 N192 A193R186-E190 HydrophobicContact CG-CG 4.33Å; R186-E190 WeakPolarHBondContact CG-OE1 3.12Å; R186-E190 IonicContact CZ-OE1 2.7Å; R186-E190 IonicContact NE-OE1 2.86Å; R186-E190 PolarHBondContact NE-OE1 2.93Å; R186-E190 IonicContact NH2-OE1 3.99Å; R186-E190 WeakPolarHBondContact O-CB 3.17Å; R186-E190 WeakPolarHBondContact O-CG 3.32Å; R186-E190 PolarHBondContact O-N 2.9Å; S187-E190 PolarHBondContact O-N 3.3Å; E188-E190 PolarHBondContact O-N 3.3Å; E190-N192 PolarHBondContact O-N 3.38Å; E190-A193 VanDerWaalsContact O-CB 3.27Å; E190-A193 WeakPolarHBondContact O-CB 3.18Å; E190-A193 PolarHBondContact O-N 2.83Å; E190-A193 VanDerWaalsContact O-N 3.09Å
191S78.6Confident74.7Confident91 Ų9199.9 Ų99.964%0.63656%0.557SS**Hα-helixtrans-64.1-20.7175.868.60000113.7S187 E188S187-S191 VanDerWaalsContact O-CB 3.29Å; S187-S191 WeakPolarHBondContact O-CB 3.41Å; S187-S191 PolarHBondContact O-N 3.35Å; S187-S191 PolarHBondContact O-OG 3.12Å; E188-S191 WeakPolarHBondContact CA-OG 3.5Å; E188-S191 PolarHBondContact O-N 3.25Å; E188-S191 PolarHBondContact O-OG 3.48Å
192N77.2Confident73.5Confident37 Ų37102.6 Ų102.620%0.19856%0.56CS.*THydrogen-bonded Turntrans-100.45.6177.8-74.8-82.4000113A169 L170 E188 L189 E190A169-N192 WeakPolarHBondContact CB-OD1 3.27Å; L170-N192 HydrophobicContact CB-CB 3.95Å; L170-N192 HydrophobicContact CD1-CB 4.16Å; L170-N192 PolarHBondContact N-OD1 2.86Å; E188-N192 PolarHBondContact O-N 2.88Å; E188-N192 PolarHBondContact O-ND2 2.7Å; L189-N192 PolarHBondContact O-N 3.2Å; E190-N192 PolarHBondContact O-N 3.38Å
193A64.1Low72.3Confident53 Ų53107.7 Ų107.744%0.43858%0.583SS.*SBendtrans-66.6146.4171.500000110.2L189 E190 V195L189-A193 PolarHBondContact O-N 2.83Å; E190-A193 VanDerWaalsContact O-CB 3.27Å; E190-A193 WeakPolarHBondContact O-CB 3.18Å; E190-A193 PolarHBondContact O-N 2.83Å; E190-A193 VanDerWaalsContact O-N 3.09Å; A193-V195 PolarHBondContact O-N 3.13Å
194P57.2Low70.9Confident76 Ų76108.4 Ų108.449%0.49458%0.583SS.*  trans-60.4126.6179.824.5-33000110.6L196P194-L196 PolarHBondContact O-N 3.26Å
195V60.3Low68.9Low124 Ų124118.2 Ų118.275%0.75262%0.617SS**  trans-77.7109.1169.1179.50000107.2A193 R197A193-V195 PolarHBondContact O-N 3.13Å; V195-R197 PolarHBondContact O-N 3.14Å
196L58Low67.2Low161 Ų161120.7 Ų120.784%0.84363%0.632SS**  trans-64.997.6173.5-63.8174.6000109P194 A198P194-L196 PolarHBondContact O-N 3.26Å; L196-A198 PolarHBondContact O-N 3.28Å
197R58.4Low65.5Low235 Ų235118 Ų11889%0.88764%0.635SS**  trans-79.6101.1167.4-71.6-168.2-176.8-158.93.3108.1V195V195-R197 PolarHBondContact O-N 3.14Å
198A56.6Low63.8Low90 Ų90123.8 Ų123.874%0.74466%0.662SS**  trans-76122.7164.900000108.5L196 V200L196-A198 PolarHBondContact O-N 3.28Å; A198-V200 PolarHBondContact O-N 3.05Å
199E65.9Low62.3Low188 Ų188126.8 Ų126.888%0.87969%0.69SS**  trans-67.1116.7162.1-68.7-176.7176.500107.1P201E199-P201 WeakPolarHBondContact O-CD 3.2Å
200V67.2Low60.5Low129 Ų129132.7 Ų132.778%0.78272%0.715SS**  trans-74.2113168.8-178.90000105.7A198 T202A198-V200 PolarHBondContact O-N 3.05Å; V200-T202 PolarHBondContact O-N 3.15Å; V200-T202 VanDerWaalsContact O-N 3.15Å
201P58.7Low58.7Low108 Ų108134.5 Ų134.570%0.70173%0.734SS**  trans-58.6126.6173.7-1730.6000107.1E199 I203E199-P201 WeakPolarHBondContact O-CD 3.2Å; P201-I203 PolarHBondContact O-N 3Å
202T66.8Low57.3Low129 Ų129135 Ų13579%0.79174%0.737SS**  trans-66.9104.5168.6-600000105.6V200 E204V200-T202 PolarHBondContact O-N 3.15Å; V200-T202 VanDerWaalsContact O-N 3.15Å; T202-E204 VanDerWaalsContact C-N 3.3Å; T202-E204 PolarHBondContact O-N 2.94Å
203I66.6Low55.7Low151 Ų151141.6 Ų141.677%0.77477%0.767SS**  trans-64.8101.6168.8-61.8170.4000104.7P201 R205P201-I203 PolarHBondContact O-N 3Å; I203-R205 PolarHBondContact O-N 2.91Å
204E59.9Low55.2Low168 Ų168145.7 Ų145.779%0.78578%0.78SS**  trans-53.8115.1165.5-70.9-173.9170.200106.1T202 I206T202-E204 VanDerWaalsContact C-N 3.3Å; T202-E204 PolarHBondContact O-N 2.94Å; E204-I206 PolarHBondContact O-N 2.84Å
205R47.5Very low54.8Low231 Ų231149.4 Ų149.487%0.87279%0.794SS**  trans-55.5110.9173.2-75.2-177.7175.5179.3-1.4105.7I203 T207I203-R205 PolarHBondContact O-N 2.91Å; R205-T207 VanDerWaalsContact C-N 3.33Å; R205-T207 PolarHBondContact O-N 2.89Å
206I51.9Low54.4Low155 Ų155153.5 Ų153.580%0.79580%0.796SS**  trans-53.8106.8169-60.4171.1000104.8E204 D208E204-I206 PolarHBondContact O-N 2.84Å; I206-D208 PolarHBondContact O-N 3.19Å
207T50.3Low54.1Low121 Ų121150.7 Ų150.774%0.74279%0.788SS**  trans-64.9118.1172.745.90000106.3R205 A209R205-T207 VanDerWaalsContact C-N 3.33Å; R205-T207 PolarHBondContact O-N 2.89Å; T207-A209 PolarHBondContact O-N 2.73Å
208D46.7Very low53.5Low170 Ų170145.5 Ų145.591%0.90979%0.785SS**SBendtrans-55.383.7176.3-72.5-41.4000111I206I206-D208 PolarHBondContact O-N 3.19Å
209A52.6Low53.3Low77 Ų77150.8 Ų150.864%0.63679%0.791SS**  trans-164.147.6168.900000111.4T207T207-A209 PolarHBondContact O-N 2.73Å
210Q44.9Very low52.6Low184 Ų184147.6 Ų147.686%0.8679%0.789SS**  trans-175.188.9152.3-101.7156.442.700108.9S212Q210-S212 PolarHBondContact O-N 2.85Å
211T43.8Very low51.7Low146 Ų146152.1 Ų152.190%0.89679%0.792SS**  trans-62.584157410000108.1E213T211-E213 PolarHBondContact O-N 3.17Å
212S49Very low51Low101 Ų101152.7 Ų152.771%0.70679%0.794SS**  trans-75.3110.4160.156.40000106.8Q210 I214Q210-S212 PolarHBondContact O-N 2.85Å; S212-I214 PolarHBondContact O-N 3.35Å
213E44.3Very low50Low176 Ų176152.2 Ų152.282%0.82280%0.795SS**  trans-45120.2175.5-67.8175.7155.900110.4T211 I215T211-E213 PolarHBondContact O-N 3.17Å; E213-I215 VanDerWaalsContact C-N 3.34Å; E213-I215 PolarHBondContact O-N 3.02Å
214I53.6Low49Very low140 Ų140150.4 Ų150.472%0.71879%0.79SS**  trans-6997.4172.3-61.2171.7000106.6S212 W216S212-I214 PolarHBondContact O-N 3.35Å; I214-W216 PolarHBondContact O-N 2.93Å
215I47.7Very low48.1Very low154 Ų154150 Ų15079%0.7979%0.793SS**  trans-71.298.3171.4-58173.5000107.1E213E213-I215 VanDerWaalsContact C-N 3.34Å; E213-I215 PolarHBondContact O-N 3.02Å
216W51.7Low48.6Very low209 Ų209151.3 Ų151.379%0.79281%0.809SS**PPolyproline II helixtrans-67.7133171.2-82.286.2000110I214I214-W216 PolarHBondContact O-N 2.93Å
217P51.1Low48.4Very low102 Ų102151.1 Ų151.166%0.66281%0.809SS**PPolyproline II helixtrans-63143.6175.125-31.9000110.4K219P217-K219 PolarHBondContact O-N 3.35Å
218P46.7Very low48.3Very low127 Ų127152.7 Ų152.783%0.82581%0.813SS**PPolyproline II helixtrans-61.4131.6-177.122.3-30.8000110.7S220P218-S220 PolarHBondContact O-N 3.09Å; P218-S220 VanDerWaalsContact O-N 3.09Å
219K52.2Low48.4Very low201 Ų201151.7 Ų151.787%0.87481%0.808SS**  trans-56.2115.1178.3-68.1-179.1178.4179.20109.7P217 R221P217-K219 PolarHBondContact O-N 3.35Å; K219-R221 PolarHBondContact O-N 3.09Å; K219-R221 VanDerWaalsContact O-N 3.09Å
220S51.9Low48.1Very low121 Ų121156.1 Ų156.185%0.84682%0.818SS**  trans-51.5115.2171-178.50000109.2P218P218-S220 PolarHBondContact O-N 3.09Å; P218-S220 VanDerWaalsContact O-N 3.09Å
221R48.8Very low48.3Very low224 Ų224154.4 Ų154.485%0.84582%0.815SS**  trans-77.3140.8174.2-69.8-175.1177.4-168.5-0.6108.3K219K219-R221 PolarHBondContact O-N 3.09Å; K219-R221 VanDerWaalsContact O-N 3.09Å
222T44.1Very low48.6Very low119 Ų119154.9 Ų154.973%0.7381%0.81SS**  trans93.691.3150.3-26.30000115.8V224T222-V224 HydrophobicContact CG2-CG2 3.62Å
223C43.8Very low48.6Very low120 Ų120158.8 Ų158.881%0.81182%0.817SS**  trans-119.397.2142.3-162.80000106.1
224V46.5Very low48.9Very low112 Ų112157.5 Ų157.568%0.67982%0.817SS**  trans-80.7114.5170.9-179.80000105.8T222 Q226T222-V224 HydrophobicContact CG2-CG2 3.62Å; V224-Q226 HydrophobicContact CG1-CG 4.41Å
225L41.8Very low48.5Very low161 Ų161158.9 Ų158.984%0.84383%0.825SS**  trans-93111.4161.5-74.3164.2000106.3
226Q56.3Low48.6Very low257 Ų257159.4 Ų159.4100%1.20183%0.828SS**  trans-79.40157.2-77.3-175.4-4200109.1V224V224-Q226 HydrophobicContact CG1-CG 4.41Å

Retrieved 226 of 226 residues in 89 ms (Link to these results)

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