A0A077YYF3_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077YYF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 543 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
1M46.3Very low53.8Low216 Ų216137.5 Ų137.5100%1.06470%0.701SS**  0-6.60-83-110.7-151.600113.8
2D54.9Low56.6Low115 Ų115133.1 Ų133.162%0.61569%0.685SS**  trans-92.6-10.9-179.6-65.3-52.9000116.5L4 K5D2-L4 PolarHBondContact O-N 2.77Å; D2-K5 PolarHBondContact O-N 3.02Å; D2-K5 IonicContact OD1-NZ 2.8Å; D2-K5 PolarHBondContact OD1-NZ 3.32Å
3L51.5Low59.2Low87 Ų87131.5 Ų131.546%0.45567%0.67SS.*THydrogen-bonded Turntrans-71.7-7.4177-80.9160000114.3V35L3-V35 HydrophobicContact CD1-CG2 3.7Å
4L50.7Low61.4Low133 Ų133123.5 Ų123.570%0.69663%0.629SS**THydrogen-bonded Turntrans-97.94.1178.4-72.6166.7000113.3D2D2-L4 PolarHBondContact O-N 2.77Å
5K50.7Low63.3Low156 Ų156124.5 Ų124.568%0.67862%0.622SS**SBendtrans-97.1-8.5-173.4-72.2-179.7-178.9163.50115.3D2D2-K5 PolarHBondContact O-N 3.02Å; D2-K5 IonicContact OD1-NZ 2.8Å; D2-K5 PolarHBondContact OD1-NZ 3.32Å
6D49.7Very low65Low88 Ų88120.9 Ų120.947%0.47160%0.602SS.*  trans-104.281.1178.4-155.65.2000109.6D8 K9D6-D8 PolarHBondContact O-N 3.11Å; D6-K9 WeakPolarHBondContact OD2-CE 3.44Å; D6-K9 IonicContact OD2-NZ 3.74Å; D6-K9 PolarHBondContact OD2-NZ 3.09Å
7K48.7Very low66.7Low195 Ų195113.8 Ų113.885%0.84857%0.567SS**THydrogen-bonded Turntrans-69.5-7.9-172.5-79.5-171.9174.8-177.70114.7
8D55Low68.3Low155 Ų155109.9 Ų109.983%0.82955%0.549SS*.THydrogen-bonded Turntrans-105.32.1-173.1-73.9-29.4000115D6D6-D8 PolarHBondContact O-N 3.11Å
9K56.1Low69.7Low139 Ų139105.1 Ų105.160%0.60452%0.524SS*.SBendtrans-98.3132.3172.3-77.9178.8-173.6134.30111.4D6 T11D6-K9 WeakPolarHBondContact OD2-CE 3.44Å; D6-K9 IonicContact OD2-NZ 3.74Å; D6-K9 PolarHBondContact OD2-NZ 3.09Å; K9-T11 PolarHBondContact O-N 3.06Å
10P58.1Low70.9Confident125 Ų125100.9 Ų100.981%0.81251%0.51SS*.  trans-59.3112.6174.623.2-31.3000109.8V12P10-V12 PolarHBondContact O-N 3.05Å
11T70.3Confident71.9Confident104 Ų104103.2 Ų103.264%0.63852%0.519SS*.  trans-78.8113.5177.844.30000109.1K9 K13K9-T11 PolarHBondContact O-N 3.06Å; T11-K13 PolarHBondContact O-N 3.24Å
12V86.8Confident74.1Confident84 Ų8496.2 Ų96.251%0.50949%0.488SS..EExtended strand (participates in β ladder)trans-80119.5175.4-178.20000108.2P10 L19P10-V12 PolarHBondContact O-N 3.05Å; V12-L19 HydrophobicContact CB-CB 4.36Å; V12-L19 HydrophobicContact CB-CD1 4.41Å; V12-L19 HydrophobicContact CG1-CD1 3.93Å; V12-L19 WeakPolarHBondContact O-CB 3.39Å; V12-L19 PolarHBondContact O-N 3.48Å
13K90.8Very high75.8Confident112 Ų11294.8 Ų94.849%0.48748%0.48SS..EExtended strand (participates in β ladder)trans-108.5133.8178.4179.1175.3172.4162.80110.7T11 R15 Y17 L18 E37T11-K13 PolarHBondContact O-N 3.24Å; K13-R15 WeakPolarHBondContact CE-O 3.35Å; K13-Y17 WeakPolarHBondContact CA-O 3.34Å; K13-L18 HydrophobicContact CB-CD2 4.18Å; K13-L18 HydrophobicContact CD-CD2 4.29Å; K13-L18 HydrophobicContact CG-CD2 4.27Å; K13-E37 WeakPolarHBondContact CD-OE1 3.46Å; K13-E37 VanDerWaalsContact CE-CD 3.44Å; K13-E37 VanDerWaalsContact CE-OE1 3.29Å; K13-E37 WeakPolarHBondContact CE-OE1 3.13Å; K13-E37 WeakPolarHBondContact CE-OE2 3.46Å; K13-E37 IonicContact NZ-OE1 2.67Å; K13-E37 PolarHBondContact NZ-OE1 3.37Å; K13-E37 IonicContact NZ-OE2 2.76Å; K13-E37 PolarHBondContact NZ-OE2 3.08Å
14I89.8Confident77.4Confident20 Ų2092.1 Ų92.110%0.10347%0.474CS..EExtended strand (participates in β ladder)trans-124.1112.9171.7-172.565.1000109.1H16 Y17 L19 I84 T86 F91I14-H16 PolarHBondContact O-N 3.02Å; I14-H16 VanDerWaalsContact O-N 3.08Å; I14-Y17 PolarHBondContact N-O 3.42Å; I14-Y17 PolarHBondContact O-N 2.76Å; I14-L19 HydrophobicContact CG2-CD1 4.2Å; I14-L19 HydrophobicContact CG2-CD2 3.83Å; I14-L19 HydrophobicContact CG2-CG 4.03Å; I14-I84 HydrophobicContact CD1-CG2 4Å; I14-I84 HydrophobicContact CG1-CB 4.48Å; I14-I84 HydrophobicContact CG1-CD1 3.9Å; I14-I84 HydrophobicContact CG1-CG2 4.08Å; I14-T86 HydrophobicContact CD1-CG2 4.11Å; I14-F91 HydrophobicContact CD1-CD2 4.03Å; I14-F91 HydrophobicContact CD1-CE2 3.91Å; I14-F91 HydrophobicContact CD1-CG 4.48Å; I14-F91 HydrophobicContact CD1-CZ 4.24Å; I14-F91 HydrophobicContact CG1-CD1 4.26Å; I14-F91 HydrophobicContact CG1-CD2 4.13Å; I14-F91 HydrophobicContact CG1-CE1 4.49Å; I14-F91 HydrophobicContact CG1-CE2 4.38Å; I14-F91 HydrophobicContact CG1-CG 4.09Å
15R89.3Confident79Confident139 Ų13992.2 Ų92.253%0.52547%0.473SS..THydrogen-bonded Turntrans49-112.7-168.7-67-173.5171.8-176.6-11.8111.7K13 E82 I84K13-R15 WeakPolarHBondContact CE-O 3.35Å; R15-E82 IonicContact CZ-OE2 2.55Å; R15-E82 IonicContact NH1-OE2 3.27Å; R15-E82 PolarHBondContact NH1-OE2 2.78Å; R15-I84 HydrophobicContact CB-CD1 4.19Å; R15-I84 HydrophobicContact CG-CD1 4Å; R15-I84 HydrophobicContact CG-CG2 4.21Å
16H90.6Very high80.1Confident66 Ų6686.5 Ų86.531%0.30646%0.459SS..THydrogen-bonded Turntrans-99.813.2-179.7-60.9-68.8000112.9I14 H36 E37I14-H16 PolarHBondContact O-N 3.02Å; I14-H16 VanDerWaalsContact O-N 3.08Å; H16-H36 WeakPolarHBondContact CB-NE2 3.48Å; H16-H36 CarbonylContact O-C 3.49Å; H16-H36 VanDerWaalsContact O-CA 3.31Å; H16-H36 WeakPolarHBondContact O-CA 3.49Å; H16-E37 PolarHBondContact O-N 3.39Å
17Y94.7Very high81Confident0 Ų087.8 Ų87.80%047%0.47CS..EExtended strand (participates in β ladder)trans-113.4124.4-178.3-55-86.7000111.6K13 I14 V35 H36 V43 E82 I84 V93 I322 L326K13-Y17 WeakPolarHBondContact CA-O 3.34Å; I14-Y17 PolarHBondContact N-O 3.42Å; I14-Y17 PolarHBondContact O-N 2.76Å; Y17-V35 WeakPolarHBondContact CA-O 3.39Å; Y17-H36 HydrophobicContact CD1-CB 3.82Å; Y17-H36 AromaticContact CD1-CD2 3.99Å; Y17-H36 HydrophobicContact CE1-CB 3.71Å; Y17-H36 AromaticContact CE1-CD2 3.55Å; Y17-H36 AromaticContact CE1-CG 3.98Å; Y17-H36 AromaticContact CZ-CD2 3.69Å; Y17-V43 HydrophobicContact CD1-CG1 4.37Å; Y17-V43 HydrophobicContact CD1-CG2 3.5Å; Y17-V43 VanDerWaalsContact CD1-CG2 3.5Å; Y17-V43 HydrophobicContact CE1-CB 4.47Å; Y17-V43 HydrophobicContact CE1-CG1 3.91Å; Y17-V43 HydrophobicContact CE1-CG2 3.83Å; Y17-V43 HydrophobicContact CG-CG2 4.36Å; Y17-E82 WeakPolarHBondContact CE2-OE1 3.45Å; Y17-E82 PolarHBondContact OH-OE1 2.67Å; Y17-I84 HydrophobicContact CD2-CD1 4.31Å; Y17-I84 HydrophobicContact CE2-CD1 4.36Å; Y17-V93 HydrophobicContact CD1-CG1 4.38Å; Y17-V93 HydrophobicContact CD2-CG2 4.36Å; Y17-V93 HydrophobicContact CE1-CG1 3.81Å; Y17-V93 HydrophobicContact CE2-CG1 4.16Å; Y17-V93 HydrophobicContact CE2-CG2 4.11Å; Y17-I322 WeakPolarHBondContact OH-CG2 3.48Å; Y17-L326 HydrophobicContact CE1-CD1 4.34Å
18L95.6Very high82Confident45 Ų4580.2 Ų80.224%0.23644%0.437CS..EExtended strand (participates in β ladder)trans-83.8114.3168.4-62.2172.5000108.7K13 G34 V35 E37K13-L18 HydrophobicContact CB-CD2 4.18Å; K13-L18 HydrophobicContact CD-CD2 4.29Å; K13-L18 HydrophobicContact CG-CD2 4.27Å; L18-G34 CarbonylContact O-C 3.47Å; L18-G34 VanDerWaalsContact O-CA 3.25Å; L18-G34 WeakPolarHBondContact O-CA 3.3Å; L18-V35 PolarHBondContact N-O 3.49Å; L18-V35 PolarHBondContact O-N 2.94Å; L18-E37 HydrophobicContact CD1-CG 3.89Å; L18-E37 HydrophobicContact CD2-CG 4.22Å; L18-E37 HydrophobicContact CG-CG 3.65Å
19L94.8Very high83.2Confident17 Ų1773.8 Ų73.89%0.08941%0.407CS..EExtended strand (participates in β ladder)trans-79.4131.1178.4-58.1-177.1000110.5V12 I14 V45 I47 F91V12-L19 HydrophobicContact CB-CB 4.36Å; V12-L19 HydrophobicContact CB-CD1 4.41Å; V12-L19 HydrophobicContact CG1-CD1 3.93Å; V12-L19 WeakPolarHBondContact O-CB 3.39Å; V12-L19 PolarHBondContact O-N 3.48Å; I14-L19 HydrophobicContact CG2-CD1 4.2Å; I14-L19 HydrophobicContact CG2-CD2 3.83Å; I14-L19 HydrophobicContact CG2-CG 4.03Å; L19-V45 HydrophobicContact CD2-CB 3.91Å; L19-V45 HydrophobicContact CD2-CG1 4.07Å; L19-V45 HydrophobicContact CD2-CG2 3.69Å; L19-I47 HydrophobicContact CD1-CD1 4.29Å; L19-F91 HydrophobicContact CD1-CE1 4.45Å
20G93.1Very high84.9Confident22 Ų2272.6 Ų72.623%0.22740%0.402CS..EExtended strand (participates in β ladder)trans-109.7-138.2177.100000112.8V33G20-V33 PolarHBondContact N-O 2.62Å
21E92.5Very high86.5Confident150 Ų15068 Ų6870%0.70137%0.372SS*.EExtended strand (participates in β ladder)trans-65.7159.5-176.2-60.8-178.6160.400113.1K32 V33E21-K32 CarbonylContact O-C 3.54Å; E21-K32 VanDerWaalsContact O-CA 3.25Å; E21-K32 WeakPolarHBondContact O-CA 3.38Å; E21-K32 WeakPolarHBondContact O-CB 3.36Å; E21-V33 HydrophobicContact CB-CG1 4.42Å; E21-V33 PolarHBondContact O-N 3.01Å
22T93.1Very high87.7Confident68 Ų6865.7 Ų65.742%0.41735%0.353SS..EExtended strand (participates in β ladder)trans-83.3122.7176.2-55.20000108.7G24 I25 K30 V31T22-G24 WeakPolarHBondContact CG2-O 3.48Å; T22-I25 HydrophobicContact CG2-CG1 4.29Å; T22-K30 HydrophobicContact CG2-CB 4.43Å; T22-V31 CarbonylContact C-O 3.56Å; T22-V31 WeakPolarHBondContact CG2-O 3.42Å
23L89.5Confident88.1Confident86 Ų8662.2 Ų62.245%0.4533%0.332SS..EExtended strand (participates in β ladder)trans-80.9-36.3176.3-63.8173.9000111.4V31 V33 A44 Y96L23-V31 HydrophobicContact CB-CG1 4.37Å; L23-V31 HydrophobicContact CD1-CG1 4.31Å; L23-V31 PolarHBondContact N-O 3.46Å; L23-V33 HydrophobicContact CD1-CB 4.15Å; L23-V33 HydrophobicContact CD2-CB 4.18Å; L23-V33 HydrophobicContact CG-CB 4.17Å; L23-A44 HydrophobicContact CD1-CB 4.15Å; L23-Y96 HydrophobicContact CD1-CD2 3.81Å; L23-Y96 HydrophobicContact CD1-CE2 3.83Å; L23-Y96 HydrophobicContact CD2-CE2 3.9Å
24G85.5Confident88.3Confident31 Ų3156.9 Ų56.932%0.3231%0.309SS..EExtended strand (participates in β ladder)trans-169.1165.8-178.600000112.7T22 V31T22-G24 WeakPolarHBondContact CG2-O 3.48Å; G24-V31 PolarHBondContact N-O 2.85Å; G24-V31 PolarHBondContact O-N 2.93Å
25I84.3Confident88.6Confident135 Ų13557.4 Ų57.469%0.69231%0.313SS*.EExtended strand (participates in β ladder)trans-120.4111.9176.5-56.2176.1000106.8T22 K30T22-I25 HydrophobicContact CG2-CG1 4.29Å; I25-K30 HydrophobicContact CG1-CG 4.42Å
26G73.4Confident88.7Confident36 Ų3651 Ų5137%0.37129%0.289SS..EExtended strand (participates in β ladder)trans-92.2177.6175.100000111.9F28 G29G26-F28 VanDerWaalsContact C-N 3.27Å; G26-F28 PolarHBondContact O-N 3.3Å; G26-G29 PolarHBondContact N-O 2.95Å; G26-G29 PolarHBondContact O-N 3.35Å
27T68.5Low88.8Confident115 Ų11551.4 Ų51.471%0.70629%0.291SS*.THydrogen-bonded Turntrans-59-35.4178.7500000113.5
28F69.9Low88.4Confident35 Ų3554 Ų5415%0.15430%0.304CS..THydrogen-bonded Turntrans-105.5-3-174-54.3-62.1000114.5G26 L48 V58 I62G26-F28 VanDerWaalsContact C-N 3.27Å; G26-F28 PolarHBondContact O-N 3.3Å; F28-L48 HydrophobicContact CB-CD2 3.76Å; F28-V58 HydrophobicContact CD1-CG2 4.02Å; F28-V58 HydrophobicContact CE1-CB 4.2Å; F28-V58 HydrophobicContact CE1-CG1 3.92Å; F28-V58 HydrophobicContact CE1-CG2 3.94Å; F28-V58 HydrophobicContact CZ-CG1 4.46Å; F28-I62 HydrophobicContact CB-CD1 4.5Å; F28-I62 HydrophobicContact CD2-CD1 4.1Å; F28-I62 HydrophobicContact CG-CD1 4.25Å
29G81.1Confident88.1Confident20 Ų2052.3 Ų52.321%0.20630%0.296CS..EExtended strand (participates in β ladder)trans165.1-171.4-173.700000114.9G26 I47G26-G29 PolarHBondContact N-O 2.95Å; G26-G29 PolarHBondContact O-N 3.35Å; G29-I47 VanDerWaalsContact CA-O 3.29Å; G29-I47 WeakPolarHBondContact CA-O 3.4Å
30K91Very high87.8Confident114 Ų11453.8 Ų53.850%0.49632%0.315SS..EExtended strand (participates in β ladder)trans-104.3143.9-178.3-61.7-178.2-178.9179.40110T22 I25 I47T22-K30 HydrophobicContact CG2-CB 4.43Å; I25-K30 HydrophobicContact CG1-CG 4.42Å; K30-I47 PolarHBondContact N-O 2.93Å; K30-I47 PolarHBondContact O-N 2.99Å
31V92.5Very high87.7Confident30 Ų3053.3 Ų53.318%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-105.7123.7170.1-1740000107.9T22 L23 G24 A44 V45 K46T22-V31 CarbonylContact C-O 3.56Å; T22-V31 WeakPolarHBondContact CG2-O 3.42Å; L23-V31 HydrophobicContact CB-CG1 4.37Å; L23-V31 HydrophobicContact CD1-CG1 4.31Å; L23-V31 PolarHBondContact N-O 3.46Å; G24-V31 PolarHBondContact N-O 2.85Å; G24-V31 PolarHBondContact O-N 2.93Å; V31-A44 HydrophobicContact CG1-CB 4.14Å; V31-V45 WeakPolarHBondContact CA-O 3.39Å; V31-K46 HydrophobicContact CG2-CB 4.13Å; V31-K46 HydrophobicContact CG2-CG 4.1Å
32K94.9Very high87.8Confident54 Ų5451.1 Ų51.124%0.23530%0.295CS..EExtended strand (participates in β ladder)trans-115.9151.2177-67.6-166.6166.8-159.10111.1E21 V45 I47E21-K32 CarbonylContact O-C 3.54Å; E21-K32 VanDerWaalsContact O-CA 3.25Å; E21-K32 WeakPolarHBondContact O-CA 3.38Å; E21-K32 WeakPolarHBondContact O-CB 3.36Å; K32-V45 PolarHBondContact N-O 2.93Å; K32-V45 PolarHBondContact O-N 2.9Å; K32-I47 HydrophobicContact CD-CD1 3.95Å; K32-I47 HydrophobicContact CG-CD1 4.1Å
33V95Very high87.9Confident12 Ų1247.9 Ų47.97%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-70.2140.4165.265.50000108.8G20 E21 L23 V43 Y96G20-V33 PolarHBondContact N-O 2.62Å; E21-V33 HydrophobicContact CB-CG1 4.42Å; E21-V33 PolarHBondContact O-N 3.01Å; L23-V33 HydrophobicContact CD1-CB 4.15Å; L23-V33 HydrophobicContact CD2-CB 4.18Å; L23-V33 HydrophobicContact CG-CB 4.17Å; V33-V43 CarbonylContact C-O 3.55Å; V33-V43 WeakPolarHBondContact CA-O 3.48Å; V33-Y96 HydrophobicContact CG2-CD2 4.37Å; V33-Y96 HydrophobicContact CG2-CE2 4.35Å
34G95.7Very high88.1Confident0 Ų044.2 Ų44.20%026%0.257CS..EExtended strand (participates in β ladder)trans-123.8154.7169.800000110.4L18 K42 V43L18-G34 CarbonylContact O-C 3.47Å; L18-G34 VanDerWaalsContact O-CA 3.25Å; L18-G34 WeakPolarHBondContact O-CA 3.3Å; G34-K42 CarbonylContact O-C 3.59Å; G34-K42 VanDerWaalsContact O-CA 3.29Å; G34-K42 WeakPolarHBondContact O-CA 3.33Å; G34-V43 PolarHBondContact N-O 2.97Å; G34-V43 PolarHBondContact O-N 2.87Å
35V95.4Very high88.6Confident30 Ų3042.7 Ų42.718%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-123.5121.8170.7-178.80000108.5L3 Y17 L18 E37 H41 K42L3-V35 HydrophobicContact CD1-CG2 3.7Å; Y17-V35 WeakPolarHBondContact CA-O 3.39Å; L18-V35 PolarHBondContact N-O 3.49Å; L18-V35 PolarHBondContact O-N 2.94Å; V35-E37 PolarHBondContact O-N 3.47Å; V35-H41 CarbonylContact C-O 3.55Å; V35-H41 WeakPolarHBondContact CA-O 3.49Å; V35-K42 HydrophobicContact CG2-CG 4.25Å
36H92.7Very high89Confident4 Ų437.1 Ų37.12%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-68120.6173.7-172.3-108000109.4H16 Y17 I38 T39 G40 H41 L326H16-H36 WeakPolarHBondContact CB-NE2 3.48Å; H16-H36 CarbonylContact O-C 3.49Å; H16-H36 VanDerWaalsContact O-CA 3.31Å; H16-H36 WeakPolarHBondContact O-CA 3.49Å; Y17-H36 HydrophobicContact CD1-CB 3.82Å; Y17-H36 AromaticContact CD1-CD2 3.99Å; Y17-H36 HydrophobicContact CE1-CB 3.71Å; Y17-H36 AromaticContact CE1-CD2 3.55Å; Y17-H36 AromaticContact CE1-CG 3.98Å; Y17-H36 AromaticContact CZ-CD2 3.69Å; H36-I38 VanDerWaalsContact C-N 3.32Å; H36-I38 PolarHBondContact O-N 3.25Å; H36-T39 WeakPolarHBondContact CB-OG1 3.42Å; H36-T39 WeakPolarHBondContact ND1-CG2 3.21Å; H36-T39 PolarHBondContact ND1-N 3.42Å; H36-T39 VanDerWaalsContact ND1-N 3.2Å; H36-T39 PolarHBondContact ND1-OG1 2.6Å; H36-G40 WeakPolarHBondContact O-CA 3.46Å; H36-G40 PolarHBondContact O-N 2.97Å; H36-H41 PolarHBondContact N-O 3.47Å; H36-L326 HydrophobicContact CB-CD1 4.15Å
37E91.4Very high90Very high75 Ų7536.9 Ų36.935%0.3520%0.202SC..THydrogen-bonded Turntrans-61.8-37.9-170.7-72.4175.8131.200113.1K13 H16 L18 V35K13-E37 WeakPolarHBondContact CD-OE1 3.46Å; K13-E37 VanDerWaalsContact CE-CD 3.44Å; K13-E37 VanDerWaalsContact CE-OE1 3.29Å; K13-E37 WeakPolarHBondContact CE-OE1 3.13Å; K13-E37 WeakPolarHBondContact CE-OE2 3.46Å; K13-E37 IonicContact NZ-OE1 2.67Å; K13-E37 PolarHBondContact NZ-OE1 3.37Å; K13-E37 IonicContact NZ-OE2 2.76Å; K13-E37 PolarHBondContact NZ-OE2 3.08Å; H16-E37 PolarHBondContact O-N 3.39Å; L18-E37 HydrophobicContact CD1-CG 3.89Å; L18-E37 HydrophobicContact CD2-CG 4.22Å; L18-E37 HydrophobicContact CG-CG 3.65Å; V35-E37 PolarHBondContact O-N 3.47Å
38I86.5Confident91Very high55 Ų5531.4 Ų31.428%0.28217%0.168SC..THydrogen-bonded Turntrans-82-44.3-173.7-58.3170.7000110.5H36 K299 F300H36-I38 VanDerWaalsContact C-N 3.32Å; H36-I38 PolarHBondContact O-N 3.25Å; I38-K299 HydrophobicContact CG2-CB 3.99Å; I38-F300 HydrophobicContact CB-CE2 4.22Å; I38-F300 HydrophobicContact CB-CZ 4.21Å; I38-F300 HydrophobicContact CD1-CD1 4.21Å; I38-F300 HydrophobicContact CD1-CE1 3.49Å; I38-F300 VanDerWaalsContact CD1-CE1 3.49Å; I38-F300 HydrophobicContact CD1-CE2 4.28Å; I38-F300 HydrophobicContact CD1-CZ 3.53Å; I38-F300 HydrophobicContact CG1-CZ 4.47Å; I38-F300 HydrophobicContact CG2-CD2 3.81Å; I38-F300 HydrophobicContact CG2-CE1 4.49Å; I38-F300 HydrophobicContact CG2-CE2 3.48Å; I38-F300 VanDerWaalsContact CG2-CE2 3.48Å; I38-F300 HydrophobicContact CG2-CG 4.44Å; I38-F300 HydrophobicContact CG2-CZ 3.88Å
39T88.6Confident92Very high10 Ų1031.7 Ų31.76%0.06117%0.172CC..THydrogen-bonded Turntrans-88.1-23.7-176.661.90000112.6H36 H41 K299 A323 I327H36-T39 WeakPolarHBondContact CB-OG1 3.42Å; H36-T39 WeakPolarHBondContact ND1-CG2 3.21Å; H36-T39 PolarHBondContact ND1-N 3.42Å; H36-T39 VanDerWaalsContact ND1-N 3.2Å; H36-T39 PolarHBondContact ND1-OG1 2.6Å; T39-H41 VanDerWaalsContact C-CD2 3.42Å; T39-H41 VanDerWaalsContact C-N 3.28Å; T39-H41 PolarHBondContact O-CD2 3.32Å; T39-H41 PolarHBondContact O-NE2 3.34Å; T39-H41 WeakPolarHBondContact OG1-CB 3.24Å; T39-H41 VanDerWaalsContact OG1-CG 3.22Å; T39-H41 PolarHBondContact OG1-N 3.03Å; T39-K299 HydrophobicContact CG2-CD 4.49Å; T39-K299 PolarHBondContact O-NZ 3.38Å; T39-A323 HydrophobicContact CG2-CB 4.33Å; T39-I327 HydrophobicContact CG2-CD1 4.44Å; T39-I327 HydrophobicContact CG2-CG1 4.24Å
40G89.7Confident92.4Very high47 Ų4733.7 Ų33.749%0.48517%0.173SC..  trans79.67.6-171.100000113.7H36H36-G40 WeakPolarHBondContact O-CA 3.46Å; H36-G40 PolarHBondContact O-N 2.97Å
41H90.1Very high92.3Very high12 Ų1235.5 Ų35.56%0.05618%0.183CC..  trans-84.4135.2-166.7-63.3-165.8000111.2V35 H36 T39 L326 N330V35-H41 CarbonylContact C-O 3.55Å; V35-H41 WeakPolarHBondContact CA-O 3.49Å; H36-H41 PolarHBondContact N-O 3.47Å; T39-H41 VanDerWaalsContact C-CD2 3.42Å; T39-H41 VanDerWaalsContact C-N 3.28Å; T39-H41 PolarHBondContact O-CD2 3.32Å; T39-H41 PolarHBondContact O-NE2 3.34Å; T39-H41 WeakPolarHBondContact OG1-CB 3.24Å; T39-H41 VanDerWaalsContact OG1-CG 3.22Å; T39-H41 PolarHBondContact OG1-N 3.03Å; H41-L326 PolarHBondContact CE1-O 3.44Å; H41-L326 VanDerWaalsContact CE1-O 3.24Å; H41-L326 VanDerWaalsContact ND1-C 3.27Å; H41-L326 PolarHBondContact ND1-O 3.45Å; H41-N330 PolarHBondContact CD2-ND2 3.39Å; H41-N330 WeakPolarHBondContact CE1-CB 3.49Å; H41-N330 PolarHBondContact CE1-ND2 2.84Å; H41-N330 PolarHBondContact ND1-ND2 2.99Å; H41-N330 VanDerWaalsContact ND1-ND2 3.15Å; H41-N330 PolarHBondContact NE2-ND2 2.81Å
42K94.4Very high91.9Very high104 Ų10438.2 Ų38.245%0.45220%0.197SC..EExtended strand (participates in β ladder)trans-76.5140.7176.1-71.3-176.7177.8-177.40110.3G34 V35 Y96G34-K42 CarbonylContact O-C 3.59Å; G34-K42 VanDerWaalsContact O-CA 3.29Å; G34-K42 WeakPolarHBondContact O-CA 3.33Å; V35-K42 HydrophobicContact CG2-CG 4.25Å; K42-Y96 HydrophobicContact CB-CD1 3.66Å; K42-Y96 HydrophobicContact CB-CE1 4.29Å; K42-Y96 HydrophobicContact CB-CG 4.07Å; K42-Y96 HydrophobicContact CD-CD1 4.01Å; K42-Y96 HydrophobicContact CD-CE1 3.77Å
43V95.3Very high91.5Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-136.4158.9176.9-63.80000110Y17 V33 G34 V45 Y81 V93 M94 L326Y17-V43 HydrophobicContact CD1-CG1 4.37Å; Y17-V43 HydrophobicContact CD1-CG2 3.5Å; Y17-V43 VanDerWaalsContact CD1-CG2 3.5Å; Y17-V43 HydrophobicContact CE1-CB 4.47Å; Y17-V43 HydrophobicContact CE1-CG1 3.91Å; Y17-V43 HydrophobicContact CE1-CG2 3.83Å; Y17-V43 HydrophobicContact CG-CG2 4.36Å; V33-V43 CarbonylContact C-O 3.55Å; V33-V43 WeakPolarHBondContact CA-O 3.48Å; G34-V43 PolarHBondContact N-O 2.97Å; G34-V43 PolarHBondContact O-N 2.87Å; V43-V45 HydrophobicContact CG2-CG2 3.95Å; V43-Y81 HydrophobicContact CG1-CD2 4.1Å; V43-Y81 HydrophobicContact CG1-CE2 4.08Å; V43-V93 HydrophobicContact CB-CG1 3.83Å; V43-V93 HydrophobicContact CG1-CG1 4.01Å; V43-V93 HydrophobicContact CG2-CG1 3.84Å; V43-M94 WeakPolarHBondContact CA-O 3.48Å; V43-M94 WeakPolarHBondContact CB-O 3.38Å; V43-L326 HydrophobicContact CG1-CD2 3.8Å
44A94.9Very high91Very high9 Ų943.6 Ų43.67%0.07422%0.215CC..EExtended strand (participates in β ladder)trans-101.9126.6169.600000108.9L23 V31 M94L23-A44 HydrophobicContact CD1-CB 4.15Å; V31-A44 HydrophobicContact CG1-CB 4.14Å; A44-M94 HydrophobicContact CB-CE 4.43Å; A44-M94 PolarHBondContact N-O 2.87Å; A44-M94 PolarHBondContact O-N 3.36Å
45V95.2Very high90.6Very high0 Ų047.9 Ų47.90%025%0.245CC..EExtended strand (participates in β ladder)trans-113.6105.7-176.8-173.20000109.5L19 V31 K32 V43 I47 F91 M92L19-V45 HydrophobicContact CD2-CB 3.91Å; L19-V45 HydrophobicContact CD2-CG1 4.07Å; L19-V45 HydrophobicContact CD2-CG2 3.69Å; V31-V45 WeakPolarHBondContact CA-O 3.39Å; K32-V45 PolarHBondContact N-O 2.93Å; K32-V45 PolarHBondContact O-N 2.9Å; V43-V45 HydrophobicContact CG2-CG2 3.95Å; V45-I47 HydrophobicContact CG1-CG1 4.24Å; V45-F91 HydrophobicContact CG1-CB 4.02Å; V45-F91 HydrophobicContact CG1-CD1 3.96Å; V45-M92 WeakPolarHBondContact CA-O 3.29Å
46K93Very high90Very high18 Ų1851.5 Ų51.58%0.07826%0.263CS..EExtended strand (participates in β ladder)trans-83.6115.5173.7-174.5176.3-172.8177.40108.6V31 L48 E65 F91 M92 M94 D158V31-K46 HydrophobicContact CG2-CB 4.13Å; V31-K46 HydrophobicContact CG2-CG 4.1Å; K46-L48 HydrophobicContact CD-CD2 4.42Å; K46-L48 HydrophobicContact CG-CD2 3.98Å; K46-L48 HydrophobicContact CG-CG 4.4Å; K46-E65 IonicContact NZ-OE1 2.87Å; K46-E65 PolarHBondContact NZ-OE1 3.41Å; K46-E65 IonicContact NZ-OE2 2.71Å; K46-F91 WeakPolarHBondContact O-CA 3.28Å; K46-M92 HydrophobicContact CB-CB 4.24Å; K46-M92 HydrophobicContact CD-SD 4.37Å; K46-M92 PolarHBondContact N-O 2.94Å; K46-M92 PolarHBondContact O-N 2.91Å; K46-M94 HydrophobicContact CB-CE 3.65Å; K46-M94 HydrophobicContact CB-SD 4.48Å; K46-M94 HydrophobicContact CD-CE 4.41Å; K46-D158 IonicContact NZ-OD1 3.85Å; K46-D158 PolarHBondContact NZ-OD1 2.92Å
47I93.4Very high89.6Confident30 Ų3058 Ų5815%0.15430%0.298CS..EExtended strand (participates in β ladder)trans-102115.2-174.8-50.2174.9000108.4L19 G29 K30 K32 V45 D89 F91L19-I47 HydrophobicContact CD1-CD1 4.29Å; G29-I47 VanDerWaalsContact CA-O 3.29Å; G29-I47 WeakPolarHBondContact CA-O 3.4Å; K30-I47 PolarHBondContact N-O 2.93Å; K30-I47 PolarHBondContact O-N 2.99Å; K32-I47 HydrophobicContact CD-CD1 3.95Å; K32-I47 HydrophobicContact CG-CD1 4.1Å; V45-I47 HydrophobicContact CG1-CG1 4.24Å; I47-D89 HydrophobicContact CG2-CB 4.31Å; I47-F91 HydrophobicContact CB-CD1 4.42Å; I47-F91 HydrophobicContact CB-CE1 4.46Å; I47-F91 HydrophobicContact CD1-CD1 4.46Å; I47-F91 HydrophobicContact CD1-CE1 4.22Å; I47-F91 HydrophobicContact CG1-CD1 3.87Å; I47-F91 HydrophobicContact CG1-CE1 4.02Å; I47-F91 HydrophobicContact CG2-CD1 4.12Å; I47-F91 HydrophobicContact CG2-CE1 3.78Å; I47-F91 HydrophobicContact CG2-CZ 4.31Å
48L91Very high89.1Confident0 Ų055 Ų550%028%0.284CS..EExtended strand (participates in β ladder)trans-115.7120.7-176.4-52.2172.6000110.6F28 K46 I53 I62 D89 I90 M92F28-L48 HydrophobicContact CB-CD2 3.76Å; K46-L48 HydrophobicContact CD-CD2 4.42Å; K46-L48 HydrophobicContact CG-CD2 3.98Å; K46-L48 HydrophobicContact CG-CG 4.4Å; L48-I53 HydrophobicContact CB-CD1 3.83Å; L48-I62 HydrophobicContact CD1-CD1 4.02Å; L48-I62 HydrophobicContact CD1-CG1 4.46Å; L48-I62 HydrophobicContact CD1-CG2 3.68Å; L48-D89 CarbonylContact O-C 3.5Å; L48-D89 WeakPolarHBondContact O-CA 3.4Å; L48-I90 HydrophobicContact CB-CB 4.38Å; L48-I90 PolarHBondContact N-O 2.84Å; L48-I90 PolarHBondContact O-N 3.28Å; L48-M92 HydrophobicContact CD1-SD 3.72Å
49N90.4Very high89.1Confident42 Ų4256 Ų5623%0.22529%0.293CS..EExtended strand (participates in β ladder)trans-80.7127.3-178.3-176-87.7000111.8Q51 N52 I53 D89N49-Q51 VanDerWaalsContact C-N 3.31Å; N49-Q51 PolarHBondContact O-N 3.12Å; N49-Q51 WeakPolarHBondContact OD1-CA 3.46Å; N49-Q51 VanDerWaalsContact OD1-CB 3.32Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.08Å; N49-Q51 PolarHBondContact OD1-N 2.84Å; N49-N52 HydrophobicContact CB-CB 4.2Å; N49-N52 PolarHBondContact O-N 2.86Å; N49-N52 PolarHBondContact OD1-N 3.24Å; N49-I53 VanDerWaalsContact O-CG1 3.31Å; N49-I53 WeakPolarHBondContact O-CG1 3.21Å; N49-I53 PolarHBondContact O-N 2.96Å; N49-D89 WeakPolarHBondContact CA-OD1 3.21Å; N49-D89 PolarHBondContact ND2-OD1 3.36Å
50R89.8Confident88.7Confident62 Ų6257.8 Ų57.823%0.23431%0.313CS..Hα-helixtrans-65.5-31.6-175.6-71175.1162.9-78.20.1113.4R54 S85 T86 P87 S88 I90R50-R54 WeakPolarHBondContact O-CG 3.23Å; R50-R54 PolarHBondContact O-N 3.39Å; R50-R54 VanDerWaalsContact O-N 3.17Å; R50-S85 PolarHBondContact NH2-OG 3.5Å; R50-T86 WeakPolarHBondContact CD-O 3.37Å; R50-T86 PolarHBondContact NE-O 3.09Å; R50-P87 WeakPolarHBondContact CD-O 3.39Å; R50-S88 VanDerWaalsContact CB-O 3.23Å; R50-S88 WeakPolarHBondContact CB-O 3.47Å; R50-S88 WeakPolarHBondContact CG-O 3.46Å; R50-S88 PolarHBondContact N-O 2.76Å; R50-I90 HydrophobicContact CG-CD1 4.43Å; R50-I90 HydrophobicContact CG-CG1 4.15Å
51Q87.7Confident88.2Confident151 Ų15160.1 Ų60.171%0.70631%0.31SS*.Hα-helixtrans-69-46177.1-62-179.1-15.100110.1N49 I53 R54 S55N49-Q51 VanDerWaalsContact C-N 3.31Å; N49-Q51 PolarHBondContact O-N 3.12Å; N49-Q51 WeakPolarHBondContact OD1-CA 3.46Å; N49-Q51 VanDerWaalsContact OD1-CB 3.32Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.08Å; N49-Q51 PolarHBondContact OD1-N 2.84Å; Q51-I53 PolarHBondContact O-N 3.19Å; Q51-R54 PolarHBondContact O-N 3.03Å; Q51-S55 PolarHBondContact O-N 3.36Å; Q51-S55 PolarHBondContact O-OG 3.34Å
52N85.5Confident88Confident87 Ų8759.8 Ų59.847%0.46531%0.308SS..Hα-helixtrans-61.8-40.8176.8-67.4-5.3000112.6N49 R54 S55 L56N49-N52 HydrophobicContact CB-CB 4.2Å; N49-N52 PolarHBondContact O-N 2.86Å; N49-N52 PolarHBondContact OD1-N 3.24Å; N52-R54 VanDerWaalsContact C-N 3.31Å; N52-R54 PolarHBondContact O-N 3.12Å; N52-S55 WeakPolarHBondContact CA-OG 3.37Å; N52-S55 PolarHBondContact O-N 3.38Å; N52-S55 PolarHBondContact O-OG 3.43Å; N52-L56 WeakPolarHBondContact O-CB 3.4Å; N52-L56 WeakPolarHBondContact O-CG 3.43Å; N52-L56 PolarHBondContact O-N 3.34Å; N52-L56 VanDerWaalsContact O-N 3.1Å
53I85.4Confident87.6Confident11 Ų1162.9 Ų62.96%0.05632%0.317CS..Hα-helixtrans-60.4-43.7176.1-67.6166.3000110.7L48 N49 Q51 D57 V58 V59 I62 I90L48-I53 HydrophobicContact CB-CD1 3.83Å; N49-I53 VanDerWaalsContact O-CG1 3.31Å; N49-I53 WeakPolarHBondContact O-CG1 3.21Å; N49-I53 PolarHBondContact O-N 2.96Å; Q51-I53 PolarHBondContact O-N 3.19Å; I53-D57 PolarHBondContact O-N 2.82Å; I53-V58 HydrophobicContact CB-CG2 4.39Å; I53-V58 HydrophobicContact CG2-CG2 4.1Å; I53-V58 PolarHBondContact O-N 3.01Å; I53-V58 VanDerWaalsContact O-N 3.17Å; I53-V59 HydrophobicContact CG2-CB 4.19Å; I53-V59 HydrophobicContact CG2-CG2 3.62Å; I53-I62 HydrophobicContact CD1-CG1 4.35Å; I53-I62 HydrophobicContact CD1-CG2 4.49Å; I53-I62 HydrophobicContact CG1-CG1 4.31Å; I53-I62 HydrophobicContact CG2-CG1 4.45Å; I53-I90 HydrophobicContact CD1-CD1 4.13Å
54R85.7Confident87Confident168 Ų16866.5 Ų66.563%0.63433%0.331SS*.Hα-helixtrans-69.1-42.6179.8-74.7176.2177.8176.9-0.7111.8R50 Q51 N52 L56 D57R50-R54 WeakPolarHBondContact O-CG 3.23Å; R50-R54 PolarHBondContact O-N 3.39Å; R50-R54 VanDerWaalsContact O-N 3.17Å; Q51-R54 PolarHBondContact O-N 3.03Å; N52-R54 VanDerWaalsContact C-N 3.31Å; N52-R54 PolarHBondContact O-N 3.12Å; R54-L56 VanDerWaalsContact C-N 3.3Å; R54-L56 PolarHBondContact O-N 2.94Å; R54-D57 PolarHBondContact O-N 3.34Å
55S85.8Confident86.5Confident91 Ų9166.1 Ų66.164%0.63633%0.328SS*.Hα-helixtrans-67.1-30.8-178.7640000113.1Q51 N52Q51-S55 PolarHBondContact O-N 3.36Å; Q51-S55 PolarHBondContact O-OG 3.34Å; N52-S55 WeakPolarHBondContact CA-OG 3.37Å; N52-S55 PolarHBondContact O-N 3.38Å; N52-S55 PolarHBondContact O-OG 3.43Å
56L83.5Confident86.2Confident106 Ų10667.1 Ų67.156%0.55533%0.333SS*.THydrogen-bonded Turntrans-90.6-0.8178.6-64.8173.5000113.7N52 R54 V58N52-L56 WeakPolarHBondContact O-CB 3.4Å; N52-L56 WeakPolarHBondContact O-CG 3.43Å; N52-L56 PolarHBondContact O-N 3.34Å; N52-L56 VanDerWaalsContact O-N 3.1Å; R54-L56 VanDerWaalsContact C-N 3.3Å; R54-L56 PolarHBondContact O-N 2.94Å; L56-V58 VanDerWaalsContact C-N 3.27Å; L56-V58 HydrophobicContact CB-CG1 4.07Å; L56-V58 HydrophobicContact CB-CG2 4.07Å; L56-V58 WeakPolarHBondContact O-CG1 3.47Å; L56-V58 PolarHBondContact O-N 3.44Å
57D83.7Confident85.8Confident141 Ų14170.2 Ų70.275%0.75435%0.348SS*.THydrogen-bonded Turntrans50.842.5-174.4-165.527.9000113.8I53 R54I53-D57 PolarHBondContact O-N 2.82Å; R54-D57 PolarHBondContact O-N 3.34Å
58V82.3Confident84.9Confident10 Ų1068.8 Ų68.86%0.06134%0.34CS..  trans-107.112.8-178.4-63.70000113.6F28 I53 L56 G60 K61 I62F28-V58 HydrophobicContact CD1-CG2 4.02Å; F28-V58 HydrophobicContact CE1-CB 4.2Å; F28-V58 HydrophobicContact CE1-CG1 3.92Å; F28-V58 HydrophobicContact CE1-CG2 3.94Å; F28-V58 HydrophobicContact CZ-CG1 4.46Å; I53-V58 HydrophobicContact CB-CG2 4.39Å; I53-V58 HydrophobicContact CG2-CG2 4.1Å; I53-V58 PolarHBondContact O-N 3.01Å; I53-V58 VanDerWaalsContact O-N 3.17Å; L56-V58 VanDerWaalsContact C-N 3.27Å; L56-V58 HydrophobicContact CB-CG1 4.07Å; L56-V58 HydrophobicContact CB-CG2 4.07Å; L56-V58 WeakPolarHBondContact O-CG1 3.47Å; L56-V58 PolarHBondContact O-N 3.44Å; V58-G60 VanDerWaalsContact C-N 3.27Å; V58-G60 PolarHBondContact O-N 3.1Å; V58-K61 HydrophobicContact CB-CB 4.44Å; V58-K61 HydrophobicContact CB-CD 4.38Å; V58-K61 HydrophobicContact CG1-CD 4.14Å; V58-K61 WeakPolarHBondContact O-CB 3.37Å; V58-K61 PolarHBondContact O-N 3.12Å; V58-I62 HydrophobicContact CG2-CG1 4.5Å; V58-I62 PolarHBondContact O-N 3.35Å
59V85Confident84.7Confident77 Ų7769.1 Ų69.147%0.46734%0.342SS..Hα-helixtrans-53.4-45.2179.7179.80000111.3I53 K61 I62 R63I53-V59 HydrophobicContact CG2-CB 4.19Å; I53-V59 HydrophobicContact CG2-CG2 3.62Å; V59-K61 PolarHBondContact O-N 3.16Å; V59-I62 PolarHBondContact O-N 2.8Å; V59-R63 WeakPolarHBondContact O-CB 3.49Å; V59-R63 PolarHBondContact O-N 3.39Å
60G81.8Confident84.4Confident47 Ų4773 Ų7349%0.48535%0.354SS..Hα-helixtrans-63.4-38.5178.800000113.2V58 R64V58-G60 VanDerWaalsContact C-N 3.27Å; V58-G60 PolarHBondContact O-N 3.1Å; G60-R64 WeakPolarHBondContact O-CB 3.12Å; G60-R64 PolarHBondContact O-N 3.46Å
61K79.1Confident83.8Confident97 Ų9774.8 Ų74.842%0.42237%0.367SS..Hα-helixtrans-65.9-48.3177.7-65.8-177.5-179.3174.50111.3V58 V59 R63 R64 E65V58-K61 HydrophobicContact CB-CB 4.44Å; V58-K61 HydrophobicContact CB-CD 4.38Å; V58-K61 HydrophobicContact CG1-CD 4.14Å; V58-K61 WeakPolarHBondContact O-CB 3.37Å; V58-K61 PolarHBondContact O-N 3.12Å; V59-K61 PolarHBondContact O-N 3.16Å; K61-R63 PolarHBondContact O-N 3.43Å; K61-R64 WeakPolarHBondContact O-CB 3.35Å; K61-R64 PolarHBondContact O-N 3.17Å; K61-E65 PolarHBondContact O-N 3.2Å
62I84.8Confident83.7Confident4 Ų468 Ų682%0.02134%0.335CS..Hα-helixtrans-64.2-41.9178.6-62-55.3000111.4F28 L48 I53 V58 V59 R64 E65 I66F28-I62 HydrophobicContact CB-CD1 4.5Å; F28-I62 HydrophobicContact CD2-CD1 4.1Å; F28-I62 HydrophobicContact CG-CD1 4.25Å; L48-I62 HydrophobicContact CD1-CD1 4.02Å; L48-I62 HydrophobicContact CD1-CG1 4.46Å; L48-I62 HydrophobicContact CD1-CG2 3.68Å; I53-I62 HydrophobicContact CD1-CG1 4.35Å; I53-I62 HydrophobicContact CD1-CG2 4.49Å; I53-I62 HydrophobicContact CG1-CG1 4.31Å; I53-I62 HydrophobicContact CG2-CG1 4.45Å; V58-I62 HydrophobicContact CG2-CG1 4.5Å; V58-I62 PolarHBondContact O-N 3.35Å; V59-I62 PolarHBondContact O-N 2.8Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 2.81Å; I62-E65 PolarHBondContact O-N 2.81Å; I62-I66 HydrophobicContact CG2-CD1 3.9Å; I62-I66 WeakPolarHBondContact O-CG1 3.5Å; I62-I66 PolarHBondContact O-N 2.86Å
63R86.3Confident83.7Confident169 Ų16971.6 Ų71.664%0.63834%0.342SS*.Hα-helixtrans-59.3-42.6175.4-176.5177.6179.2175.21.2111.2V59 K61 Q67V59-R63 WeakPolarHBondContact O-CB 3.49Å; V59-R63 PolarHBondContact O-N 3.39Å; K61-R63 PolarHBondContact O-N 3.43Å; R63-Q67 WeakPolarHBondContact O-CB 3.34Å; R63-Q67 VanDerWaalsContact O-CG 3.25Å; R63-Q67 WeakPolarHBondContact O-CG 3.47Å; R63-Q67 PolarHBondContact O-N 3.12Å
64R82.4Confident83.8Confident76 Ų7671.7 Ų71.729%0.28734%0.343SS..Hα-helixtrans-65.8-45.9176.9-172.6-179.9-59.2144.8-3.7112.1G60 K61 I62 I66 Q67 N68 N163 F164G60-R64 WeakPolarHBondContact O-CB 3.12Å; G60-R64 PolarHBondContact O-N 3.46Å; K61-R64 WeakPolarHBondContact O-CB 3.35Å; K61-R64 PolarHBondContact O-N 3.17Å; I62-R64 VanDerWaalsContact C-N 3.29Å; I62-R64 PolarHBondContact O-N 2.81Å; R64-I66 VanDerWaalsContact C-N 3.31Å; R64-I66 PolarHBondContact O-N 2.88Å; R64-Q67 WeakPolarHBondContact O-CB 3.22Å; R64-Q67 PolarHBondContact O-N 2.87Å; R64-Q67 VanDerWaalsContact O-N 3.09Å; R64-N68 WeakPolarHBondContact O-CB 3.17Å; R64-N68 VanDerWaalsContact O-CG 3.23Å; R64-N68 PolarHBondContact O-N 3.19Å; R64-N68 PolarHBondContact O-OD1 2.85Å; R64-N163 PolarHBondContact NE-OD1 3.43Å; R64-N163 PolarHBondContact NH1-OD1 3.05Å; R64-F164 HydrophobicContact CG-CD2 3.86Å; R64-F164 HydrophobicContact CG-CE2 3.68Å
65E85.4Confident84Confident2 Ų264.7 Ų64.71%0.00932%0.319CS..Hα-helixtrans-55.8-47.1176.2-174.9-177.3166.300111K46 K61 I62 Q67 N68 L69 M92 F159K46-E65 IonicContact NZ-OE1 2.87Å; K46-E65 PolarHBondContact NZ-OE1 3.41Å; K46-E65 IonicContact NZ-OE2 2.71Å; K61-E65 PolarHBondContact O-N 3.2Å; I62-E65 PolarHBondContact O-N 2.81Å; E65-Q67 PolarHBondContact O-N 3.1Å; E65-N68 PolarHBondContact O-N 3.22Å; E65-L69 HydrophobicContact CG-CD1 4.02Å; E65-L69 WeakPolarHBondContact O-CB 3.39Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 3.27Å; E65-M92 HydrophobicContact CG-CE 4.28Å; E65-F159 HydrophobicContact CG-CB 4.15Å
66I87.3Confident84.5Confident21 Ų2160.5 Ų60.511%0.10829%0.289CS..Hα-helixtrans-62.6-42.2175.6-69.3166.1000111.5I62 R64 R70 L80 V83 I90 M92I62-I66 HydrophobicContact CG2-CD1 3.9Å; I62-I66 WeakPolarHBondContact O-CG1 3.5Å; I62-I66 PolarHBondContact O-N 2.86Å; R64-I66 VanDerWaalsContact C-N 3.31Å; R64-I66 PolarHBondContact O-N 2.88Å; I66-R70 HydrophobicContact CG2-CG 4.42Å; I66-R70 WeakPolarHBondContact O-CB 3.35Å; I66-R70 WeakPolarHBondContact O-CG 3.27Å; I66-R70 PolarHBondContact O-N 3.08Å; I66-R70 VanDerWaalsContact O-N 3.1Å; I66-L80 HydrophobicContact CG2-CD2 4.48Å; I66-V83 HydrophobicContact CD1-CG1 4.16Å; I66-V83 HydrophobicContact CD1-CG2 4.47Å; I66-V83 HydrophobicContact CG1-CG2 4.26Å; I66-V83 HydrophobicContact CG2-CG2 3.84Å; I66-I90 HydrophobicContact CD1-CG2 4.38Å; I66-M92 HydrophobicContact CD1-SD 4.45Å; I66-M92 HydrophobicContact CG1-CE 4.02Å; I66-M92 HydrophobicContact CG1-CG 4.33Å; I66-M92 HydrophobicContact CG1-SD 3.97Å
67Q84.8Confident85Confident83 Ų8355.6 Ų55.639%0.38826%0.263SS..Hα-helixtrans-63.2-45.6177.9-77.1172.3-34.900111.8R63 R64 E65 R70 L71 F164R63-Q67 WeakPolarHBondContact O-CB 3.34Å; R63-Q67 VanDerWaalsContact O-CG 3.25Å; R63-Q67 WeakPolarHBondContact O-CG 3.47Å; R63-Q67 PolarHBondContact O-N 3.12Å; R64-Q67 WeakPolarHBondContact O-CB 3.22Å; R64-Q67 PolarHBondContact O-N 2.87Å; R64-Q67 VanDerWaalsContact O-N 3.09Å; E65-Q67 PolarHBondContact O-N 3.1Å; Q67-R70 PolarHBondContact O-N 3.04Å; Q67-L71 WeakPolarHBondContact O-CG 3.15Å; Q67-F164 HydrophobicContact CB-CZ 4.31Å
68N76.2Confident85.4Confident0 Ų049.3 Ų49.30%023%0.23CC..Hα-helixtrans-60.6-54.8178.3-68.4-7.9000110.9R64 E65 R70 L71 F72 S162 F164R64-N68 WeakPolarHBondContact O-CB 3.17Å; R64-N68 VanDerWaalsContact O-CG 3.23Å; R64-N68 PolarHBondContact O-N 3.19Å; R64-N68 PolarHBondContact O-OD1 2.85Å; E65-N68 PolarHBondContact O-N 3.22Å; N68-R70 VanDerWaalsContact C-N 3.25Å; N68-R70 PolarHBondContact O-N 2.98Å; N68-L71 PolarHBondContact O-N 2.82Å; N68-F72 HydrophobicContact CB-CE2 4.15Å; N68-F72 HydrophobicContact CB-CZ 4.31Å; N68-F72 WeakPolarHBondContact O-CG 3.45Å; N68-F72 PolarHBondContact O-N 3.45Å; N68-S162 PolarHBondContact ND2-OG 3.13Å; N68-F164 WeakPolarHBondContact OD1-CE1 3.3Å; N68-F164 WeakPolarHBondContact OD1-CE2 3.32Å; N68-F164 WeakPolarHBondContact OD1-CZ 3.48Å
69L85.3Confident85.9Confident7 Ų751 Ų514%0.03724%0.235CC..Hα-helixtrans-64.4-28.6-176.3-74.7173.9000113.3E65 L71 F72 L80 M92 F159E65-L69 HydrophobicContact CG-CD1 4.02Å; E65-L69 WeakPolarHBondContact O-CB 3.39Å; E65-L69 WeakPolarHBondContact O-CG 3.35Å; E65-L69 PolarHBondContact O-N 3.27Å; L69-L71 VanDerWaalsContact C-N 3.27Å; L69-L71 PolarHBondContact O-N 3.23Å; L69-F72 HydrophobicContact CD2-CD2 4.47Å; L69-F72 PolarHBondContact O-N 3.28Å; L69-L80 HydrophobicContact CB-CB 3.74Å; L69-L80 HydrophobicContact CB-CD2 3.69Å; L69-L80 HydrophobicContact CB-CG 4.35Å; L69-M92 HydrophobicContact CD1-CE 3.65Å; L69-F159 HydrophobicContact CD2-CD2 3.56Å; L69-F159 HydrophobicContact CD2-CE2 3.92Å; L69-F159 HydrophobicContact CD2-CG 4.24Å; L69-F159 HydrophobicContact CG-CD2 4.32Å
70R85.5Confident86.2Confident123 Ų12348.3 Ų48.346%0.46422%0.218SC..Hα-helixtrans-66.5-28.3174.4-81.4175.7-179.9-152.6-3.2113.2I66 Q67 N68 L80 H317I66-R70 HydrophobicContact CG2-CG 4.42Å; I66-R70 WeakPolarHBondContact O-CB 3.35Å; I66-R70 WeakPolarHBondContact O-CG 3.27Å; I66-R70 PolarHBondContact O-N 3.08Å; I66-R70 VanDerWaalsContact O-N 3.1Å; Q67-R70 PolarHBondContact O-N 3.04Å; N68-R70 VanDerWaalsContact C-N 3.25Å; N68-R70 PolarHBondContact O-N 2.98Å; R70-L80 HydrophobicContact CG-CD2 3.95Å; R70-H317 VanDerWaalsContact CZ-CE1 3.45Å; R70-H317 PolarHBondContact NH1-NE2 2.9Å; R70-H317 PolarHBondContact NH2-CE1 2.66Å
71L76.3Confident86.7Confident100 Ų10047.3 Ų47.352%0.52420%0.2SC..Hα-helixtrans-83.2-23-179.4-64.1173000112Q67 N68 L69 R73Q67-L71 WeakPolarHBondContact O-CG 3.15Å; N68-L71 PolarHBondContact O-N 2.82Å; L69-L71 VanDerWaalsContact C-N 3.27Å; L69-L71 PolarHBondContact O-N 3.23Å; L71-R73 PolarHBondContact O-N 3.05Å
72F85.1Confident87.3Confident7 Ų743.2 Ų43.23%0.03118%0.182CC..  trans-83.6123.5-170.8-62.1-22.6000113.4N68 L69 I77 Y130 C131 H134 V136 F159N68-F72 HydrophobicContact CB-CE2 4.15Å; N68-F72 HydrophobicContact CB-CZ 4.31Å; N68-F72 WeakPolarHBondContact O-CG 3.45Å; N68-F72 PolarHBondContact O-N 3.45Å; L69-F72 HydrophobicContact CD2-CD2 4.47Å; L69-F72 PolarHBondContact O-N 3.28Å; F72-I77 HydrophobicContact CB-CG2 4.31Å; F72-I77 HydrophobicContact CD2-CD1 4.35Å; F72-I77 HydrophobicContact CD2-CG2 4.02Å; F72-I77 HydrophobicContact CG-CD1 4.41Å; F72-Y130 HydrophobicContact CB-CE1 4.12Å; F72-Y130 HydrophobicContact CD1-CD1 4.25Å; F72-Y130 AromaticContact CD1-CE1 3.73Å; F72-Y130 HydrophobicContact CD1-CE1 3.73Å; F72-Y130 HydrophobicContact CG-CE1 4.18Å; F72-C131 HydrophobicContact CZ-CB 4.45Å; F72-H134 HydrophobicContact CE1-CB 3.78Å; F72-V136 HydrophobicContact CE1-CB 4.49Å; F72-V136 HydrophobicContact CE1-CG2 4.26Å; F72-V136 HydrophobicContact CE2-CG1 4.44Å; F72-V136 HydrophobicContact CZ-CB 3.77Å; F72-V136 HydrophobicContact CZ-CG1 3.87Å; F72-V136 HydrophobicContact CZ-CG2 3.8Å; F72-F159 HydrophobicContact CD2-CE1 4.22Å; F72-F159 HydrophobicContact CD2-CZ 4.14Å; F72-F159 AromaticContact CE2-CD1 3.93Å; F72-F159 HydrophobicContact CE2-CD1 3.93Å; F72-F159 AromaticContact CE2-CE1 3.48Å; F72-F159 HydrophobicContact CE2-CE1 3.48Å; F72-F159 VanDerWaalsContact CE2-CE1 3.48Å; F72-F159 AromaticContact CE2-CZ 3.86Å; F72-F159 HydrophobicContact CE2-CZ 3.86Å; F72-F159 HydrophobicContact CZ-CE1 4.36Å
73R85.4Confident87.7Confident163 Ų16344.2 Ų44.262%0.61519%0.188SC*.  trans-129.984168.3-67.9-174.4178.3167-0.8109.1L71 Y130L71-R73 PolarHBondContact O-N 3.05Å; R73-Y130 PolarHBondContact N-OH 3.1Å; R73-Y130 VanDerWaalsContact N-OH 3.09Å; R73-Y130 PolarHBondContact O-OH 3.36Å
74H87.4Confident88Confident13 Ų1336.4 Ų36.46%0.0616%0.159CC..  trans-133.7143.7-177.4-168.8-97.1000111H76 I77 S126 G127 Y130H74-H76 VanDerWaalsContact C-N 3.27Å; H74-H76 AromaticContact CE1-CD2 3.82Å; H74-H76 PolarHBondContact ND1-N 2.82Å; H74-H76 PolarHBondContact O-N 3.48Å; H74-I77 HydrophobicContact CB-CB 4.08Å; H74-I77 HydrophobicContact CB-CD1 3.71Å; H74-I77 HydrophobicContact CB-CG1 3.88Å; H74-S126 PolarHBondContact CE1-OG 3.31Å; H74-S126 PolarHBondContact NE2-OG 3.07Å; H74-S126 VanDerWaalsContact NE2-OG 3.09Å; H74-G127 VanDerWaalsContact CE1-CA 3.49Å; H74-G127 WeakPolarHBondContact CE1-CA 3.4Å; H74-G127 PolarHBondContact CE1-N 2.68Å; H74-Y130 HydrophobicContact CB-CD1 3.86Å; H74-Y130 HydrophobicContact CB-CD2 4.34Å; H74-Y130 HydrophobicContact CB-CE1 4Å; H74-Y130 HydrophobicContact CB-CE2 4.47Å; H74-Y130 HydrophobicContact CB-CG 4.02Å; H74-Y130 AromaticContact CD2-CD2 3.54Å; H74-Y130 AromaticContact CD2-CG 3.55Å; H74-Y130 AromaticContact CG-CG 3.9Å
75P91.4Very high88.5Confident21 Ų2136.1 Ų36.114%0.13617%0.169CC..THydrogen-bonded Turntrans-58-35.4176.116.9-30000114.4K155 Y276P75-K155 VanDerWaalsContact O-CD 3.28Å; P75-K155 WeakPolarHBondContact O-CD 3.32Å; P75-K155 WeakPolarHBondContact O-CE 3.5Å; P75-K155 PolarHBondContact O-NZ 2.96Å; P75-Y276 HydrophobicContact CB-CE2 4.39Å; P75-Y276 HydrophobicContact CG-CD2 4.32Å; P75-Y276 HydrophobicContact CG-CE2 4.09Å
76H95.2Very high88.8Confident4 Ų437.7 Ų37.72%0.01918%0.179CC..THydrogen-bonded Turntrans-105.921.9-173.4-56.8-61.6000113.8H74 Q123 V154 I156 Y276 L277H74-H76 VanDerWaalsContact C-N 3.27Å; H74-H76 AromaticContact CE1-CD2 3.82Å; H74-H76 PolarHBondContact ND1-N 2.82Å; H74-H76 PolarHBondContact O-N 3.48Å; H76-Q123 WeakPolarHBondContact CB-O 3.47Å; H76-Q123 WeakPolarHBondContact CE1-CG 3.26Å; H76-V154 WeakPolarHBondContact CA-O 3.31Å; H76-V154 WeakPolarHBondContact CB-O 3.36Å; H76-V154 PolarHBondContact ND1-O 3.33Å; H76-I156 WeakPolarHBondContact O-CG1 3.33Å; H76-I156 PolarHBondContact O-N 3.42Å; H76-Y276 AromaticContact NE2-CE2 3.53Å; H76-Y276 AromaticContact NE2-CZ 3.78Å; H76-Y276 PolarHBondContact NE2-OH 2.85Å; H76-L277 VanDerWaalsContact CD2-CD2 3.49Å; H76-L277 WeakPolarHBondContact CD2-CD2 3.18Å; H76-L277 WeakPolarHBondContact NE2-CD2 3.25Å
77I93.7Very high89.1Confident2 Ų243.1 Ų43.11%0.0122%0.215CC..BIsolated β-bridgetrans-126.8133.4172.3-58.5174.2000107.5F72 H74 R79 Y130 C131 F159F72-I77 HydrophobicContact CB-CG2 4.31Å; F72-I77 HydrophobicContact CD2-CD1 4.35Å; F72-I77 HydrophobicContact CD2-CG2 4.02Å; F72-I77 HydrophobicContact CG-CD1 4.41Å; H74-I77 HydrophobicContact CB-CB 4.08Å; H74-I77 HydrophobicContact CB-CD1 3.71Å; H74-I77 HydrophobicContact CB-CG1 3.88Å; I77-R79 PolarHBondContact O-N 2.84Å; I77-Y130 HydrophobicContact CD1-CD1 3.61Å; I77-Y130 HydrophobicContact CD1-CE1 4.32Å; I77-Y130 HydrophobicContact CD1-CG 4.39Å; I77-C131 VanDerWaalsContact CD1-SG 3.53Å; I77-F159 HydrophobicContact CG2-CE2 3.69Å; I77-F159 HydrophobicContact CG2-CZ 3.72Å
78I93.5Very high89.4Confident10 Ų1042 Ų425%0.05122%0.217CC..  trans-58.1124.3175.5-70.1-66.3000109.8M94 E95 V97 L147 K155 I156 A157I78-M94 HydrophobicContact CG2-CB 3.94Å; I78-E95 HydrophobicContact CD1-CB 4.33Å; I78-E95 HydrophobicContact CG2-CB 4.28Å; I78-V97 HydrophobicContact CD1-CG1 3.69Å; I78-V97 HydrophobicContact CD1-CG2 4.09Å; I78-L147 HydrophobicContact CD1-CD1 4.37Å; I78-K155 HydrophobicContact CD1-CB 3.68Å; I78-K155 HydrophobicContact CD1-CD 4.4Å; I78-K155 HydrophobicContact CD1-CG 4.3Å; I78-K155 HydrophobicContact CG1-CB 4.07Å; I78-I156 WeakPolarHBondContact CG1-O 3.17Å; I78-I156 PolarHBondContact N-O 2.75Å; I78-A157 HydrophobicContact CG1-CB 3.89Å
79R92Very high90.2Very high46 Ų4643.6 Ų43.617%0.17423%0.225CC..  trans-79.4141179.9-63.1177.9177.3-168.34.1111.4I77 Y81 M94 E95 D329I77-R79 PolarHBondContact O-N 2.84Å; R79-Y81 HydrophobicContact CB-CE1 4.21Å; R79-M94 CarbonylContact O-C 3.55Å; R79-M94 WeakPolarHBondContact O-CA 3.42Å; R79-M94 WeakPolarHBondContact O-CB 3.49Å; R79-E95 HydrophobicContact CB-CB 4.25Å; R79-E95 PolarHBondContact O-N 3.42Å; R79-D329 VanDerWaalsContact CD-OD2 3.25Å; R79-D329 WeakPolarHBondContact CD-OD2 3.38Å; R79-D329 IonicContact CZ-OD1 3.59Å; R79-D329 VanDerWaalsContact CZ-OD1 3.27Å; R79-D329 IonicContact CZ-OD2 2.96Å; R79-D329 IonicContact NE-OD2 2.8Å; R79-D329 IonicContact NH1-OD1 3.8Å; R79-D329 PolarHBondContact NH1-OD1 2.77Å; R79-D329 IonicContact NH1-OD2 2.64Å; R79-D329 PolarHBondContact NH1-OD2 3.37Å; R79-D329 IonicContact NH2-OD1 2.8Å
80L91.9Very high90.6Very high20 Ų2044.3 Ų44.311%0.10523%0.229CC..EExtended strand (participates in β ladder)trans-98.9112.1167.1176.667.9000108.9I66 L69 R70 V83 M92 M94I66-L80 HydrophobicContact CG2-CD2 4.48Å; L69-L80 HydrophobicContact CB-CB 3.74Å; L69-L80 HydrophobicContact CB-CD2 3.69Å; L69-L80 HydrophobicContact CB-CG 4.35Å; R70-L80 HydrophobicContact CG-CD2 3.95Å; L80-V83 HydrophobicContact CD1-CG2 4.07Å; L80-V83 HydrophobicContact CD2-CG2 3.86Å; L80-V83 HydrophobicContact CG-CG2 4.31Å; L80-M92 HydrophobicContact CD1-CB 3.84Å; L80-M92 HydrophobicContact CD1-CE 4.27Å; L80-M92 HydrophobicContact CD1-CG 4.45Å; L80-M94 HydrophobicContact CD1-CG 3.89Å
81Y91.1Very high91Very high25 Ų2539.5 Ų39.510%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-78.4-50.3-179.7-61.4-51.7000111.8V43 R79 V93 E95 L326 D329V43-Y81 HydrophobicContact CG1-CD2 4.1Å; V43-Y81 HydrophobicContact CG1-CE2 4.08Å; R79-Y81 HydrophobicContact CB-CE1 4.21Å; Y81-V93 HydrophobicContact CD2-CG1 4.38Å; Y81-V93 PolarHBondContact N-O 3.23Å; Y81-E95 HydrophobicContact CE2-CB 4.39Å; Y81-L326 HydrophobicContact CD1-CD2 4.35Å; Y81-L326 HydrophobicContact CD2-CD2 3.61Å; Y81-L326 HydrophobicContact CE1-CD2 4.22Å; Y81-L326 HydrophobicContact CE2-CD2 3.43Å; Y81-L326 VanDerWaalsContact CE2-CD2 3.43Å; Y81-L326 HydrophobicContact CG-CD2 4.07Å; Y81-D329 WeakPolarHBondContact CE1-OD2 3.42Å; Y81-D329 PolarHBondContact OH-OD2 3.16Å
82E92.2Very high91.8Very high11 Ų1134.7 Ų34.75%0.05119%0.186CC..EExtended strand (participates in β ladder)trans-154.1163.9177.668.7180109.700112.2R15 Y17 I84 V93 I322R15-E82 IonicContact CZ-OE2 2.55Å; R15-E82 IonicContact NH1-OE2 3.27Å; R15-E82 PolarHBondContact NH1-OE2 2.78Å; Y17-E82 WeakPolarHBondContact CE2-OE1 3.45Å; Y17-E82 PolarHBondContact OH-OE1 2.67Å; E82-I84 HydrophobicContact CG-CD1 4.41Å; E82-I84 HydrophobicContact CG-CG1 4.11Å; E82-I84 VanDerWaalsContact OE2-CG1 3.3Å; E82-I84 WeakPolarHBondContact OE2-CG1 3.12Å; E82-V93 HydrophobicContact CG-CB 3.8Å; E82-V93 HydrophobicContact CG-CG2 3.73Å; E82-V93 PolarHBondContact N-O 2.96Å; E82-V93 PolarHBondContact O-N 3.34Å; E82-I322 HydrophobicContact CB-CD1 3.84Å; E82-I322 HydrophobicContact CB-CG1 4.47Å; E82-I322 HydrophobicContact CG-CD1 4.35Å
83V93Very high92.3Very high25 Ų2534.4 Ų34.415%0.15219%0.185CC..EExtended strand (participates in β ladder)trans-121.7119.3170.2-178.50000108.1I66 L80 I90 F91 M92I66-V83 HydrophobicContact CD1-CG1 4.16Å; I66-V83 HydrophobicContact CD1-CG2 4.47Å; I66-V83 HydrophobicContact CG1-CG2 4.26Å; I66-V83 HydrophobicContact CG2-CG2 3.84Å; L80-V83 HydrophobicContact CD1-CG2 4.07Å; L80-V83 HydrophobicContact CD2-CG2 3.86Å; L80-V83 HydrophobicContact CG-CG2 4.31Å; V83-I90 HydrophobicContact CG1-CG2 3.59Å; V83-F91 CarbonylContact C-O 3.52Å; V83-F91 WeakPolarHBondContact CA-O 3.36Å; V83-M92 HydrophobicContact CG2-CG 4.31Å
84I93.8Very high92.7Very high6 Ų627.7 Ų27.73%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-102.4123.5178.2-52.2167.2000107.5I14 R15 Y17 E82 F91 V93I14-I84 HydrophobicContact CD1-CG2 4Å; I14-I84 HydrophobicContact CG1-CB 4.48Å; I14-I84 HydrophobicContact CG1-CD1 3.9Å; I14-I84 HydrophobicContact CG1-CG2 4.08Å; R15-I84 HydrophobicContact CB-CD1 4.19Å; R15-I84 HydrophobicContact CG-CD1 4Å; R15-I84 HydrophobicContact CG-CG2 4.21Å; Y17-I84 HydrophobicContact CD2-CD1 4.31Å; Y17-I84 HydrophobicContact CE2-CD1 4.36Å; E82-I84 HydrophobicContact CG-CD1 4.41Å; E82-I84 HydrophobicContact CG-CG1 4.11Å; E82-I84 VanDerWaalsContact OE2-CG1 3.3Å; E82-I84 WeakPolarHBondContact OE2-CG1 3.12Å; I84-F91 HydrophobicContact CB-CB 4.17Å; I84-F91 PolarHBondContact N-O 3.13Å; I84-F91 PolarHBondContact O-N 3.03Å; I84-V93 HydrophobicContact CD1-CG2 3.94Å; I84-V93 HydrophobicContact CG1-CG2 4.45Å
85S92.1Very high93Very high70 Ų7027.4 Ų27.449%0.4916%0.16SC..EExtended strand (participates in β ladder)trans-107.4129.6-179.9168.50000110.2R50R50-S85 PolarHBondContact NH2-OG 3.5Å
86T92.5Very high93.1Very high35 Ų3529.1 Ų29.122%0.21516%0.164CC..  trans-119.7169.3171.468.30000109.9I14 R50 S88 D89 F91I14-T86 HydrophobicContact CD1-CG2 4.11Å; R50-T86 WeakPolarHBondContact CD-O 3.37Å; R50-T86 PolarHBondContact NE-O 3.09Å; T86-S88 PolarHBondContact O-N 2.71Å; T86-D89 PolarHBondContact N-O 2.95Å; T86-D89 PolarHBondContact OG1-N 3.14Å; T86-D89 PolarHBondContact OG1-O 3.25Å; T86-F91 HydrophobicContact CG2-CD2 4.16Å; T86-F91 HydrophobicContact CG2-CE2 3.65Å
87P93Very high92.9Very high134 Ų13429.8 Ų29.887%0.8717%0.168SC*.SBendtrans-59-31.9176.2-2736.6000114.3R50R50-P87 WeakPolarHBondContact CD-O 3.39Å
88S91.5Very high92.7Very high61 Ų6133 Ų3343%0.42719%0.19SC..SBendtrans-96.7-39.1-177.7560000113.4R50 T86R50-S88 VanDerWaalsContact CB-O 3.23Å; R50-S88 WeakPolarHBondContact CB-O 3.47Å; R50-S88 WeakPolarHBondContact CG-O 3.46Å; R50-S88 PolarHBondContact N-O 2.76Å; T86-S88 PolarHBondContact O-N 2.71Å
89D92.6Very high92.4Very high33 Ų3334.3 Ų34.318%0.17621%0.207CC..EExtended strand (participates in β ladder)trans-137.9156.6-167.4-54.1-77.4000112.6I47 L48 N49 T86 F91I47-D89 HydrophobicContact CG2-CB 4.31Å; L48-D89 CarbonylContact O-C 3.5Å; L48-D89 WeakPolarHBondContact O-CA 3.4Å; N49-D89 WeakPolarHBondContact CA-OD1 3.21Å; N49-D89 PolarHBondContact ND2-OD1 3.36Å; T86-D89 PolarHBondContact N-O 2.95Å; T86-D89 PolarHBondContact OG1-N 3.14Å; T86-D89 PolarHBondContact OG1-O 3.25Å; D89-F91 HydrophobicContact CB-CD2 4.44Å; D89-F91 HydrophobicContact CB-CE2 3.74Å; D89-F91 HydrophobicContact CB-CZ 3.92Å
90I92.8Very high92.3Very high22 Ų2233.7 Ų33.711%0.11322%0.215CC..EExtended strand (participates in β ladder)trans-112127.5169.8-59.3171.4000107.5L48 R50 I53 I66 V83L48-I90 HydrophobicContact CB-CB 4.38Å; L48-I90 PolarHBondContact N-O 2.84Å; L48-I90 PolarHBondContact O-N 3.28Å; R50-I90 HydrophobicContact CG-CD1 4.43Å; R50-I90 HydrophobicContact CG-CG1 4.15Å; I53-I90 HydrophobicContact CD1-CD1 4.13Å; I66-I90 HydrophobicContact CD1-CG2 4.38Å; V83-I90 HydrophobicContact CG1-CG2 3.59Å
91F94.3Very high92.2Very high21 Ų2136.5 Ų36.59%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-110.9117.5179.2-56.4-101000108.9I14 L19 V45 K46 I47 V83 I84 T86 D89I14-F91 HydrophobicContact CD1-CD2 4.03Å; I14-F91 HydrophobicContact CD1-CE2 3.91Å; I14-F91 HydrophobicContact CD1-CG 4.48Å; I14-F91 HydrophobicContact CD1-CZ 4.24Å; I14-F91 HydrophobicContact CG1-CD1 4.26Å; I14-F91 HydrophobicContact CG1-CD2 4.13Å; I14-F91 HydrophobicContact CG1-CE1 4.49Å; I14-F91 HydrophobicContact CG1-CE2 4.38Å; I14-F91 HydrophobicContact CG1-CG 4.09Å; L19-F91 HydrophobicContact CD1-CE1 4.45Å; V45-F91 HydrophobicContact CG1-CB 4.02Å; V45-F91 HydrophobicContact CG1-CD1 3.96Å; K46-F91 WeakPolarHBondContact O-CA 3.28Å; I47-F91 HydrophobicContact CB-CD1 4.42Å; I47-F91 HydrophobicContact CB-CE1 4.46Å; I47-F91 HydrophobicContact CD1-CD1 4.46Å; I47-F91 HydrophobicContact CD1-CE1 4.22Å; I47-F91 HydrophobicContact CG1-CD1 3.87Å; I47-F91 HydrophobicContact CG1-CE1 4.02Å; I47-F91 HydrophobicContact CG2-CD1 4.12Å; I47-F91 HydrophobicContact CG2-CE1 3.78Å; I47-F91 HydrophobicContact CG2-CZ 4.31Å; V83-F91 CarbonylContact C-O 3.52Å; V83-F91 WeakPolarHBondContact CA-O 3.36Å; I84-F91 HydrophobicContact CB-CB 4.17Å; I84-F91 PolarHBondContact N-O 3.13Å; I84-F91 PolarHBondContact O-N 3.03Å; T86-F91 HydrophobicContact CG2-CD2 4.16Å; T86-F91 HydrophobicContact CG2-CE2 3.65Å; D89-F91 HydrophobicContact CB-CD2 4.44Å; D89-F91 HydrophobicContact CB-CE2 3.74Å; D89-F91 HydrophobicContact CB-CZ 3.92Å
92M93.7Very high92Very high0 Ų035.3 Ų35.30%022%0.223CC..EExtended strand (participates in β ladder)trans-97.7113.4172.6-62.7169.362.100108.4V45 K46 L48 E65 I66 L69 L80 V83 M94V45-M92 WeakPolarHBondContact CA-O 3.29Å; K46-M92 HydrophobicContact CB-CB 4.24Å; K46-M92 HydrophobicContact CD-SD 4.37Å; K46-M92 PolarHBondContact N-O 2.94Å; K46-M92 PolarHBondContact O-N 2.91Å; L48-M92 HydrophobicContact CD1-SD 3.72Å; E65-M92 HydrophobicContact CG-CE 4.28Å; I66-M92 HydrophobicContact CD1-SD 4.45Å; I66-M92 HydrophobicContact CG1-CE 4.02Å; I66-M92 HydrophobicContact CG1-CG 4.33Å; I66-M92 HydrophobicContact CG1-SD 3.97Å; L69-M92 HydrophobicContact CD1-CE 3.65Å; L80-M92 HydrophobicContact CD1-CB 3.84Å; L80-M92 HydrophobicContact CD1-CE 4.27Å; L80-M92 HydrophobicContact CD1-CG 4.45Å; V83-M92 HydrophobicContact CG2-CG 4.31Å; M92-M94 HydrophobicContact CB-CG 4.39Å; M92-M94 HydrophobicContact CB-SD 4.47Å; M92-M94 HydrophobicContact CE-SD 4.49Å
93V94.8Very high91.6Very high0 Ų038.6 Ų38.60%024%0.237CC..EExtended strand (participates in β ladder)trans-92.6115.1179.5-174.50000108.5Y17 V43 Y81 E82 I84Y17-V93 HydrophobicContact CD1-CG1 4.38Å; Y17-V93 HydrophobicContact CD2-CG2 4.36Å; Y17-V93 HydrophobicContact CE1-CG1 3.81Å; Y17-V93 HydrophobicContact CE2-CG1 4.16Å; Y17-V93 HydrophobicContact CE2-CG2 4.11Å; V43-V93 HydrophobicContact CB-CG1 3.83Å; V43-V93 HydrophobicContact CG1-CG1 4.01Å; V43-V93 HydrophobicContact CG2-CG1 3.84Å; Y81-V93 HydrophobicContact CD2-CG1 4.38Å; Y81-V93 PolarHBondContact N-O 3.23Å; E82-V93 HydrophobicContact CG-CB 3.8Å; E82-V93 HydrophobicContact CG-CG2 3.73Å; E82-V93 PolarHBondContact N-O 2.96Å; E82-V93 PolarHBondContact O-N 3.34Å; I84-V93 HydrophobicContact CD1-CG2 3.94Å; I84-V93 HydrophobicContact CG1-CG2 4.45Å
94M94.3Very high91.3Very high22 Ų2240.9 Ų40.911%0.10825%0.249CC..EExtended strand (participates in β ladder)trans-125.4165.3-168.8-55.9177.3-56.800111.6V43 A44 K46 I78 R79 L80 M92 Y96V43-M94 WeakPolarHBondContact CA-O 3.48Å; V43-M94 WeakPolarHBondContact CB-O 3.38Å; A44-M94 HydrophobicContact CB-CE 4.43Å; A44-M94 PolarHBondContact N-O 2.87Å; A44-M94 PolarHBondContact O-N 3.36Å; K46-M94 HydrophobicContact CB-CE 3.65Å; K46-M94 HydrophobicContact CB-SD 4.48Å; K46-M94 HydrophobicContact CD-CE 4.41Å; I78-M94 HydrophobicContact CG2-CB 3.94Å; R79-M94 CarbonylContact O-C 3.55Å; R79-M94 WeakPolarHBondContact O-CA 3.42Å; R79-M94 WeakPolarHBondContact O-CB 3.49Å; L80-M94 HydrophobicContact CD1-CG 3.89Å; M92-M94 HydrophobicContact CB-CG 4.39Å; M92-M94 HydrophobicContact CB-SD 4.47Å; M92-M94 HydrophobicContact CE-SD 4.49Å; M94-Y96 PolarHBondContact O-N 3.44Å
95E93Very high90.9Very high8 Ų841.9 Ų41.94%0.03725%0.252CS..EExtended strand (participates in β ladder)trans-53.5130.3170.1-173178-173.700110.8I78 R79 Y81 V97 K155I78-E95 HydrophobicContact CD1-CB 4.33Å; I78-E95 HydrophobicContact CG2-CB 4.28Å; R79-E95 HydrophobicContact CB-CB 4.25Å; R79-E95 PolarHBondContact O-N 3.42Å; Y81-E95 HydrophobicContact CE2-CB 4.39Å; E95-V97 HydrophobicContact CG-CG1 4.18Å; E95-K155 VanDerWaalsContact OE1-CE 3.23Å; E95-K155 WeakPolarHBondContact OE1-CE 3.33Å; E95-K155 IonicContact OE1-NZ 2.86Å; E95-K155 PolarHBondContact OE1-NZ 3.49Å; E95-K155 IonicContact OE2-NZ 3.41Å; E95-K155 PolarHBondContact OE2-NZ 2.86Å
96Y93.9Very high90.6Very high56 Ų5639.2 Ų39.222%0.2223%0.232CC..  trans-93.8132.8171.2172.6-103.4000109.9L23 V33 K42 M94L23-Y96 HydrophobicContact CD1-CD2 3.81Å; L23-Y96 HydrophobicContact CD1-CE2 3.83Å; L23-Y96 HydrophobicContact CD2-CE2 3.9Å; V33-Y96 HydrophobicContact CG2-CD2 4.37Å; V33-Y96 HydrophobicContact CG2-CE2 4.35Å; K42-Y96 HydrophobicContact CB-CD1 3.66Å; K42-Y96 HydrophobicContact CB-CE1 4.29Å; K42-Y96 HydrophobicContact CB-CG 4.07Å; K42-Y96 HydrophobicContact CD-CD1 4.01Å; K42-Y96 HydrophobicContact CD-CE1 3.77Å; M94-Y96 PolarHBondContact O-N 3.44Å
97V91.7Very high90.2Very high19 Ų1942 Ų4212%0.11525%0.249CC..  trans-127.3132.9177.9-60.80000108.5I78 E95 L147 L148 D149 K155I78-V97 HydrophobicContact CD1-CG1 3.69Å; I78-V97 HydrophobicContact CD1-CG2 4.09Å; E95-V97 HydrophobicContact CG-CG1 4.18Å; V97-L147 HydrophobicContact CG2-CB 3.47Å; V97-L147 VanDerWaalsContact CG2-CB 3.47Å; V97-L147 HydrophobicContact CG2-CD1 3.57Å; V97-L147 HydrophobicContact CG2-CG 4.15Å; V97-L148 WeakPolarHBondContact CB-O 3.11Å; V97-D149 HydrophobicContact CG1-CB 4.49Å; V97-K155 HydrophobicContact CG1-CB 4.37Å; V97-K155 HydrophobicContact CG1-CD 4.45Å; V97-K155 HydrophobicContact CG1-CG 3.91Å
98S89.7Confident89.9Confident68 Ų6843.8 Ų43.848%0.47624%0.243SC..SBendtrans-97.5-11.8-16757.60000114.7G100 C150S98-G100 PolarHBondContact O-N 3.26Å; S98-C150 WeakPolarHBondContact OG-CB 3.21Å
99G86.5Confident89.6Confident38 Ų3848 Ų4839%0.39225%0.25SC..SBendtrans-75.9-8.4-176.900000114.2L148G99-L148 WeakPolarHBondContact CA-O 3.45Å; G99-L148 PolarHBondContact N-O 3.21Å
100G89.4Confident89.4Confident34 Ų3448 Ų4835%0.35126%0.257SS..EExtended strand (participates in β ladder)trans74.6-158.2-178.100000112.2S98 L147 L148S98-G100 PolarHBondContact O-N 3.26Å; G100-L147 CarbonylContact O-C 3.1Å; G100-L147 VanDerWaalsContact O-CA 3.29Å; G100-L147 WeakPolarHBondContact O-CA 3.38Å; G100-L148 PolarHBondContact O-N 2.94Å
101E90.2Very high89.2Confident78 Ų7853.8 Ų53.836%0.36428%0.277SS..EExtended strand (participates in β ladder)trans-78.6139.6179.3-63176.4-161.900110.9F103 D104 L147E101-F103 HydrophobicContact CB-CB 4.49Å; E101-F103 PolarHBondContact O-N 3Å; E101-D104 PolarHBondContact O-N 3.34Å; E101-L147 HydrophobicContact CB-CD2 4.49Å; E101-L147 HydrophobicContact CG-CD2 3.84Å
102L87.8Confident89.1Confident0 Ų053.5 Ų53.50%028%0.277CS..Hα-helixtrans-62.7-27.7175.8-178.356.9000111.3D104 Y105 I106 F120 I124 L146 L148 V154 F208L102-D104 PolarHBondContact O-N 3.42Å; L102-Y105 HydrophobicContact CD1-CD1 4.43Å; L102-Y105 WeakPolarHBondContact O-CB 3.41Å; L102-Y105 PolarHBondContact O-N 3.11Å; L102-I106 HydrophobicContact CG-CD1 4.37Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.69Å; L102-I106 VanDerWaalsContact O-N 3.12Å; L102-F120 HydrophobicContact CD1-CD2 4.42Å; L102-F120 HydrophobicContact CD1-CE2 4.35Å; L102-F120 HydrophobicContact CD1-CZ 4.41Å; L102-I124 HydrophobicContact CD2-CD1 4.44Å; L102-L146 HydrophobicContact CB-CB 3.92Å; L102-L146 VanDerWaalsContact CB-O 3.25Å; L102-L146 WeakPolarHBondContact CB-O 3.26Å; L102-L146 HydrophobicContact CD2-CB 3.94Å; L102-L146 HydrophobicContact CD2-CD1 3.92Å; L102-L146 PolarHBondContact N-O 2.9Å; L102-L148 HydrophobicContact CB-CG 4.43Å; L102-L148 HydrophobicContact CD1-CD1 3.83Å; L102-L148 HydrophobicContact CD1-CD2 4.02Å; L102-L148 HydrophobicContact CD1-CG 4.06Å; L102-V154 HydrophobicContact CD2-CG2 4.2Å; L102-F208 HydrophobicContact CD2-CE1 3.71Å; L102-F208 HydrophobicContact CD2-CZ 3.44Å; L102-F208 VanDerWaalsContact CD2-CZ 3.44Å; L102-F208 HydrophobicContact CG-CE1 4.11Å; L102-F208 HydrophobicContact CG-CZ 4.32Å
103F83.9Confident89.1Confident80 Ų8060.9 Ų60.935%0.35131%0.309SS..Hα-helixtrans-55.1-50172.7-172.7-105000112.4E101 Y105 I106 V107 P143E101-F103 HydrophobicContact CB-CB 4.49Å; E101-F103 PolarHBondContact O-N 3Å; F103-Y105 PolarHBondContact O-N 3.17Å; F103-I106 PolarHBondContact O-N 3.18Å; F103-I106 VanDerWaalsContact O-N 3.09Å; F103-V107 HydrophobicContact CD1-CG2 3.94Å; F103-V107 HydrophobicContact CE1-CG2 3.55Å; F103-V107 HydrophobicContact CE2-CG2 4.21Å; F103-V107 HydrophobicContact CG-CG2 4.44Å; F103-V107 HydrophobicContact CZ-CG2 3.7Å; F103-V107 WeakPolarHBondContact O-CG2 3.35Å; F103-V107 PolarHBondContact O-N 3.11Å; F103-P143 HydrophobicContact CB-CB 3.75Å; F103-P143 HydrophobicContact CD2-CB 3.87Å; F103-P143 HydrophobicContact CD2-CG 4.43Å; F103-P143 HydrophobicContact CG-CB 4.3Å
104D86.9Confident89.1Confident74 Ų7464.2 Ų64.240%0.39632%0.324SS..Hα-helixtrans-62-33.9179.5-73.5-23.5000112E101 L102 K108E101-D104 PolarHBondContact O-N 3.34Å; L102-D104 PolarHBondContact O-N 3.42Å; D104-K108 WeakPolarHBondContact O-CB 3.19Å; D104-K108 WeakPolarHBondContact O-CD 3.43Å; D104-K108 WeakPolarHBondContact O-CG 3.31Å; D104-K108 PolarHBondContact O-N 3.13Å; D104-K108 VanDerWaalsContact O-N 3.08Å
105Y85.3Confident89.2Confident27 Ų2767 Ų6711%0.10634%0.342CS..Hα-helixtrans-63-44.6175.3-172.1-85.6000111.6L102 F103 R109 L112 F120 L148 D152L102-Y105 HydrophobicContact CD1-CD1 4.43Å; L102-Y105 WeakPolarHBondContact O-CB 3.41Å; L102-Y105 PolarHBondContact O-N 3.11Å; F103-Y105 PolarHBondContact O-N 3.17Å; Y105-R109 PolarHBondContact O-N 3.16Å; Y105-R109 PolarHBondContact OH-NH1 3.14Å; Y105-R109 PolarHBondContact OH-NH2 3.08Å; Y105-L112 HydrophobicContact CD1-CD2 4.09Å; Y105-L112 HydrophobicContact CE1-CD2 3.85Å; Y105-F120 HydrophobicContact CD1-CE2 4.25Å; Y105-F120 HydrophobicContact CD1-CZ 4.38Å; Y105-F120 AromaticContact CE1-CE2 3.71Å; Y105-F120 HydrophobicContact CE1-CE2 3.71Å; Y105-F120 AromaticContact CE1-CZ 3.8Å; Y105-F120 HydrophobicContact CE1-CZ 3.8Å; Y105-F120 AromaticContact CZ-CZ 3.91Å; Y105-L148 HydrophobicContact CD2-CD1 3.64Å; Y105-L148 HydrophobicContact CE2-CD1 4.25Å; Y105-L148 HydrophobicContact CG-CD1 3.86Å; Y105-D152 WeakPolarHBondContact CE2-OD2 3.25Å; Y105-D152 PolarHBondContact OH-OD2 3.23Å
106I84.5Confident89.2Confident13 Ų1368.4 Ų68.47%0.06735%0.351CS..Hα-helixtrans-67.2-49.2177.6-58.8157.3000110L102 F103 K108 R109 G110 P143 F208L102-I106 HydrophobicContact CG-CD1 4.37Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.69Å; L102-I106 VanDerWaalsContact O-N 3.12Å; F103-I106 PolarHBondContact O-N 3.18Å; F103-I106 VanDerWaalsContact O-N 3.09Å; I106-K108 PolarHBondContact O-N 2.82Å; I106-R109 PolarHBondContact O-N 2.93Å; I106-R109 VanDerWaalsContact O-N 3.09Å; I106-G110 WeakPolarHBondContact O-CA 3.44Å; I106-G110 PolarHBondContact O-N 2.85Å; I106-P143 HydrophobicContact CD1-CB 4.49Å; I106-F208 HydrophobicContact CD1-CD1 3.55Å; I106-F208 HydrophobicContact CD1-CE1 3.56Å; I106-F208 HydrophobicContact CG1-CD1 4.08Å; I106-F208 HydrophobicContact CG1-CE1 4.32Å
107V84.6Confident89.3Confident95 Ų9565.8 Ų65.858%0.57634%0.34SS*.Hα-helixtrans-57.1-39.6-178.8171.60000111.4F103F103-V107 HydrophobicContact CD1-CG2 3.94Å; F103-V107 HydrophobicContact CE1-CG2 3.55Å; F103-V107 HydrophobicContact CE2-CG2 4.21Å; F103-V107 HydrophobicContact CG-CG2 4.44Å; F103-V107 HydrophobicContact CZ-CG2 3.7Å; F103-V107 WeakPolarHBondContact O-CG2 3.35Å; F103-V107 PolarHBondContact O-N 3.11Å
108K86.4Confident89.6Confident170 Ų17065.7 Ų65.774%0.73934%0.338SS*.Hα-helixtrans-70.1-33178.5-73.4169.4-173.5166.40113.9D104 I106D104-K108 WeakPolarHBondContact O-CB 3.19Å; D104-K108 WeakPolarHBondContact O-CD 3.43Å; D104-K108 WeakPolarHBondContact O-CG 3.31Å; D104-K108 PolarHBondContact O-N 3.13Å; D104-K108 VanDerWaalsContact O-N 3.08Å; I106-K108 PolarHBondContact O-N 2.82Å
109R85.8Confident89.9Confident151 Ų15165.9 Ų65.957%0.5733%0.328SS*.Hα-helixtrans-101.7-13.9-175-64.6-173.7-177.9-148.94.9113.7Y105 I106 L112Y105-R109 PolarHBondContact O-N 3.16Å; Y105-R109 PolarHBondContact OH-NH1 3.14Å; Y105-R109 PolarHBondContact OH-NH2 3.08Å; I106-R109 PolarHBondContact O-N 2.93Å; I106-R109 VanDerWaalsContact O-N 3.09Å; R109-L112 HydrophobicContact CB-CD2 4.43Å
110G87Confident90.4Very high31 Ų3164 Ų6432%0.3231%0.309SS..  trans68.8-131.5-167.100000111.4I106I106-G110 WeakPolarHBondContact O-CA 3.44Å; I106-G110 PolarHBondContact O-N 2.85Å
111R89.3Confident90.8Very high144 Ų14462.4 Ų62.454%0.54329%0.293SS..SBendtrans-68.8133.7178.2-68.8173.9-65.5175.32.8110.8C210 Y237R111-C210 WeakPolarHBondContact CG-O 3.26Å; R111-Y237 WeakPolarHBondContact CD-OH 3.39Å; R111-Y237 VanDerWaalsContact NH1-CZ 3.29Å; R111-Y237 PolarHBondContact NH1-OH 2.9Å
112L92.3Very high91.2Very high15 Ų1559 Ų598%0.07928%0.276CS..PPolyproline II helixtrans-79.3150.6174-58.1-175.2000110.5Y105 R109 A117 F120 F208Y105-L112 HydrophobicContact CD1-CD2 4.09Å; Y105-L112 HydrophobicContact CE1-CD2 3.85Å; R109-L112 HydrophobicContact CB-CD2 4.43Å; L112-A117 HydrophobicContact CB-CB 4.19Å; L112-F120 HydrophobicContact CD1-CD2 3.65Å; L112-F120 HydrophobicContact CD1-CE2 3.77Å; L112-F208 HydrophobicContact CD1-CB 4.03Å; L112-F208 HydrophobicContact CD1-CD1 4.13Å; L112-F208 HydrophobicContact CD1-CG 4.03Å; L112-F208 PolarHBondContact N-O 3.37Å
113K93.5Very high91.7Very high156 Ų15659.2 Ų59.268%0.67828%0.278SS*.PPolyproline II helixtrans-63.4147.1166.1-68.3-178.1179.9179.40108.8T115 D116 A117K113-T115 PolarHBondContact O-N 2.96Å; K113-D116 PolarHBondContact O-N 3.21Å; K113-A117 PolarHBondContact O-N 3.44Å
114E94.8Very high92.4Very high69 Ų6955.4 Ų55.432%0.32226%0.261SS..Hα-helixtrans-56.2-37.8-176.8-167.9-178.8141.500112.8A117 R118 L209 W268E114-A117 PolarHBondContact O-N 2.89Å; E114-R118 VanDerWaalsContact O-CB 3.25Å; E114-R118 WeakPolarHBondContact O-CB 3.43Å; E114-R118 PolarHBondContact O-N 2.77Å; E114-R118 IonicContact OE1-CZ 3.83Å; E114-R118 IonicContact OE1-NH2 3.08Å; E114-R118 PolarHBondContact OE1-NH2 2.99Å; E114-L209 HydrophobicContact CG-CD2 4.45Å; E114-W268 HydrophobicContact CG-CZ2 3.85Å; E114-W268 PolarHBondContact OE1-NE1 3.36Å
115T95.8Very high92.9Very high80 Ų8051.9 Ų51.949%0.49124%0.242SC..Hα-helixtrans-61.5-43.8175.852.10000112.7K113 R119K113-T115 PolarHBondContact O-N 2.96Å; T115-R119 PolarHBondContact O-N 2.82Å
116D94.1Very high93.4Very high39 Ų3950.7 Ų50.721%0.20924%0.237CC..Hα-helixtrans-72-43.3178.3-68.1-44.7000111.1K113 R118 R119 F120K113-D116 PolarHBondContact O-N 3.21Å; D116-R118 VanDerWaalsContact C-N 3.3Å; D116-R118 PolarHBondContact O-N 2.99Å; D116-R119 PolarHBondContact O-N 2.89Å; D116-R119 IonicContact OD1-NH1 2.96Å; D116-R119 PolarHBondContact OD1-NH1 3.36Å; D116-F120 VanDerWaalsContact O-CD2 3.25Å; D116-F120 WeakPolarHBondContact O-CD2 3.42Å; D116-F120 WeakPolarHBondContact O-CG 3.43Å; D116-F120 PolarHBondContact O-N 2.98Å
117A95.8Very high93.9Very high0 Ų050 Ų500%023%0.234CC..Hα-helixtrans-57.7-44.5175.200000111.1L112 K113 E114 F121 F208 L209L112-A117 HydrophobicContact CB-CB 4.19Å; K113-A117 PolarHBondContact O-N 3.44Å; E114-A117 PolarHBondContact O-N 2.89Å; A117-F121 WeakPolarHBondContact O-CB 3.33Å; A117-F121 PolarHBondContact O-N 2.88Å; A117-F208 HydrophobicContact CB-CB 3.85Å; A117-F208 HydrophobicContact CB-CD2 4.44Å; A117-L209 HydrophobicContact CB-CD2 3.75Å; A117-L209 HydrophobicContact CB-CG 4.38Å
118R97.8Very high94.5Very high17 Ų1745.6 Ų45.66%0.06421%0.207CC..Hα-helixtrans-61.4-49175.3-173.2-176.1-61.6107.84.1111.6E114 D116 F120 F121 Q122 W268 V271E114-R118 VanDerWaalsContact O-CB 3.25Å; E114-R118 WeakPolarHBondContact O-CB 3.43Å; E114-R118 PolarHBondContact O-N 2.77Å; E114-R118 IonicContact OE1-CZ 3.83Å; E114-R118 IonicContact OE1-NH2 3.08Å; E114-R118 PolarHBondContact OE1-NH2 2.99Å; D116-R118 VanDerWaalsContact C-N 3.3Å; D116-R118 PolarHBondContact O-N 2.99Å; R118-F120 PolarHBondContact O-N 3.4Å; R118-F121 PolarHBondContact O-N 3.08Å; R118-Q122 HydrophobicContact CG-CG 4.17Å; R118-Q122 WeakPolarHBondContact O-CB 3.14Å; R118-Q122 VanDerWaalsContact O-CG 3.26Å; R118-Q122 WeakPolarHBondContact O-CG 3.18Å; R118-Q122 PolarHBondContact O-N 3.15Å; R118-W268 VanDerWaalsContact CA-CH2 3.49Å; R118-W268 HydrophobicContact CB-CH2 3.57Å; R118-W268 HydrophobicContact CB-CZ2 3.81Å; R118-W268 HydrophobicContact CB-CZ3 4.17Å; R118-W268 WeakPolarHBondContact CD-O 3.25Å; R118-W268 HydrophobicContact CG-CE3 4.44Å; R118-W268 HydrophobicContact CG-CH2 3.92Å; R118-W268 HydrophobicContact CG-CZ2 4.28Å; R118-W268 HydrophobicContact CG-CZ3 3.99Å; R118-W268 PolarHBondContact NE-O 3.31Å; R118-V271 WeakPolarHBondContact CD-O 3.48Å
119R97Very high94.9Very high72 Ų7238.1 Ų38.127%0.27218%0.175SC..Hα-helixtrans-55.7-51.3178.9-172.4-17783.8-125.35.7111.5T115 D116 F121 Q122 Q123 D152T115-R119 PolarHBondContact O-N 2.82Å; D116-R119 PolarHBondContact O-N 2.89Å; D116-R119 IonicContact OD1-NH1 2.96Å; D116-R119 PolarHBondContact OD1-NH1 3.36Å; R119-F121 PolarHBondContact O-N 3.32Å; R119-Q122 PolarHBondContact O-N 2.86Å; R119-Q123 WeakPolarHBondContact O-CG 3.26Å; R119-Q123 PolarHBondContact O-N 3.2Å; R119-D152 PolarHBondContact NH2-O 2.94Å
120F96.5Very high95.2Very high0 Ų032.5 Ų32.50%016%0.155CC..Hα-helixtrans-62.3-43.9178.1-67.3-45.1000111.9L102 Y105 L112 D116 R118 Q123 I124 L148 D152 V154 F208L102-F120 HydrophobicContact CD1-CD2 4.42Å; L102-F120 HydrophobicContact CD1-CE2 4.35Å; L102-F120 HydrophobicContact CD1-CZ 4.41Å; Y105-F120 HydrophobicContact CD1-CE2 4.25Å; Y105-F120 HydrophobicContact CD1-CZ 4.38Å; Y105-F120 AromaticContact CE1-CE2 3.71Å; Y105-F120 HydrophobicContact CE1-CE2 3.71Å; Y105-F120 AromaticContact CE1-CZ 3.8Å; Y105-F120 HydrophobicContact CE1-CZ 3.8Å; Y105-F120 AromaticContact CZ-CZ 3.91Å; L112-F120 HydrophobicContact CD1-CD2 3.65Å; L112-F120 HydrophobicContact CD1-CE2 3.77Å; D116-F120 VanDerWaalsContact O-CD2 3.25Å; D116-F120 WeakPolarHBondContact O-CD2 3.42Å; D116-F120 WeakPolarHBondContact O-CG 3.43Å; D116-F120 PolarHBondContact O-N 2.98Å; R118-F120 PolarHBondContact O-N 3.4Å; F120-Q123 PolarHBondContact O-N 3Å; F120-I124 WeakPolarHBondContact O-CD1 3.22Å; F120-I124 VanDerWaalsContact O-CG1 3.3Å; F120-I124 WeakPolarHBondContact O-CG1 3.46Å; F120-I124 PolarHBondContact O-N 3.15Å; F120-L148 HydrophobicContact CD1-CD2 4.41Å; F120-L148 HydrophobicContact CE1-CD2 3.88Å; F120-D152 HydrophobicContact CE1-CB 3.98Å; F120-D152 WeakPolarHBondContact CE1-O 3.36Å; F120-D152 HydrophobicContact CZ-CB 4.13Å; F120-V154 HydrophobicContact CB-CG2 3.96Å; F120-V154 HydrophobicContact CD1-CG2 3.6Å; F120-V154 HydrophobicContact CE1-CG2 4.46Å; F120-V154 HydrophobicContact CG-CG2 4.15Å; F120-F208 HydrophobicContact CB-CD2 4.44Å; F120-F208 HydrophobicContact CB-CE2 3.82Å; F120-F208 HydrophobicContact CB-CZ 4.31Å
121F98.1Very high95.4Very high0 Ų031.1 Ų31.10%014%0.14CC..Hα-helixtrans-63.9-42.5-179.6-173.4-106.6000112.4A117 R118 R119 Q123 I124 I125 C201 L205 L245 M249 I263 W268 F269A117-F121 WeakPolarHBondContact O-CB 3.33Å; A117-F121 PolarHBondContact O-N 2.88Å; R118-F121 PolarHBondContact O-N 3.08Å; R119-F121 PolarHBondContact O-N 3.32Å; F121-Q123 VanDerWaalsContact C-N 3.31Å; F121-Q123 PolarHBondContact O-N 3.18Å; F121-I124 PolarHBondContact O-N 2.87Å; F121-I125 HydrophobicContact CD1-CG1 3.95Å; F121-I125 HydrophobicContact CD2-CG1 4.35Å; F121-I125 HydrophobicContact CE1-CD1 4.07Å; F121-I125 HydrophobicContact CE1-CG1 3.55Å; F121-I125 HydrophobicContact CE2-CD1 3.87Å; F121-I125 HydrophobicContact CE2-CG1 3.97Å; F121-I125 HydrophobicContact CG-CG1 4.33Å; F121-I125 HydrophobicContact CZ-CD1 3.56Å; F121-I125 HydrophobicContact CZ-CG1 3.56Å; F121-I125 VanDerWaalsContact O-CG1 3.32Å; F121-I125 WeakPolarHBondContact O-CG1 3.37Å; F121-I125 PolarHBondContact O-N 3.28Å; F121-C201 HydrophobicContact CE2-CB 4.08Å; F121-C201 WeakPolarHBondContact CE2-O 3.48Å; F121-L205 HydrophobicContact CB-CD1 4.1Å; F121-L205 HydrophobicContact CD1-CD1 4.36Å; F121-L205 HydrophobicContact CD1-CD2 4.27Å; F121-L205 HydrophobicContact CD2-CB 3.75Å; F121-L205 HydrophobicContact CD2-CD1 4.05Å; F121-L205 HydrophobicContact CD2-CD2 4.38Å; F121-L205 HydrophobicContact CD2-CG 4.26Å; F121-L205 HydrophobicContact CE1-CD2 4.03Å; F121-L205 HydrophobicContact CE2-CB 3.69Å; F121-L205 HydrophobicContact CE2-CD2 4.16Å; F121-L205 HydrophobicContact CE2-CG 4.36Å; F121-L205 HydrophobicContact CG-CB 4.44Å; F121-L205 HydrophobicContact CG-CD1 3.91Å; F121-L205 HydrophobicContact CG-CD2 4.42Å; F121-L205 HydrophobicContact CG-CG 4.48Å; F121-L205 HydrophobicContact CZ-CB 4.32Å; F121-L205 HydrophobicContact CZ-CD2 3.97Å; F121-L245 HydrophobicContact CE1-CD2 4.28Å; F121-M249 HydrophobicContact CE1-SD 4.48Å; F121-M249 HydrophobicContact CE2-CE 4.07Å; F121-M249 HydrophobicContact CZ-CE 3.58Å; F121-M249 HydrophobicContact CZ-SD 3.71Å; F121-I263 HydrophobicContact CE1-CG2 3.98Å; F121-I263 HydrophobicContact CZ-CG2 4.34Å; F121-W268 AromaticContact CD1-CZ3 3.99Å; F121-W268 HydrophobicContact CD1-CZ3 3.99Å; F121-F269 AromaticContact CD1-CD2 3.83Å; F121-F269 HydrophobicContact CD1-CD2 3.83Å; F121-F269 AromaticContact CD1-CE2 3.88Å; F121-F269 HydrophobicContact CD1-CE2 3.88Å; F121-F269 AromaticContact CE1-CD2 3.87Å; F121-F269 HydrophobicContact CE1-CD2 3.87Å; F121-F269 HydrophobicContact CE1-CE2 4.03Å
122Q98.5Very high95.5Very high5 Ų525.3 Ų25.32%0.02312%0.119CC..Hα-helixtrans-57.5-42.7174.6-73.2168.8-17.700112.1R118 R119 I125 S126 F269 V271 L273 L277R118-Q122 HydrophobicContact CG-CG 4.17Å; R118-Q122 WeakPolarHBondContact O-CB 3.14Å; R118-Q122 VanDerWaalsContact O-CG 3.26Å; R118-Q122 WeakPolarHBondContact O-CG 3.18Å; R118-Q122 PolarHBondContact O-N 3.15Å; R119-Q122 PolarHBondContact O-N 2.86Å; Q122-I125 PolarHBondContact O-N 3.01Å; Q122-S126 VanDerWaalsContact O-CB 3.3Å; Q122-S126 WeakPolarHBondContact O-CB 3.42Å; Q122-S126 PolarHBondContact O-N 3.11Å; Q122-F269 HydrophobicContact CB-CE2 4.15Å; Q122-F269 HydrophobicContact CB-CZ 4.06Å; Q122-F269 HydrophobicContact CG-CD2 4.1Å; Q122-F269 HydrophobicContact CG-CE1 4.24Å; Q122-F269 HydrophobicContact CG-CE2 3.72Å; Q122-F269 HydrophobicContact CG-CZ 3.79Å; Q122-F269 PolarHBondContact NE2-O 3.44Å; Q122-V271 PolarHBondContact NE2-O 3.31Å; Q122-L273 HydrophobicContact CB-CD1 4.13Å; Q122-L273 HydrophobicContact CG-CD1 3.79Å; Q122-L277 HydrophobicContact CB-CD1 3.69Å
123Q97.7Very high95.2Very high6 Ų629.8 Ų29.83%0.02814%0.135CC..Hα-helixtrans-65.3-40.1176.8-67.9-178.4-9.800112.6H76 R119 F120 F121 G127 N153 V154 L277H76-Q123 WeakPolarHBondContact CB-O 3.47Å; H76-Q123 WeakPolarHBondContact CE1-CG 3.26Å; R119-Q123 WeakPolarHBondContact O-CG 3.26Å; R119-Q123 PolarHBondContact O-N 3.2Å; F120-Q123 PolarHBondContact O-N 3Å; F121-Q123 VanDerWaalsContact C-N 3.31Å; F121-Q123 PolarHBondContact O-N 3.18Å; Q123-G127 PolarHBondContact O-N 3Å; Q123-G127 VanDerWaalsContact O-N 3.13Å; Q123-N153 PolarHBondContact NE2-OD1 2.96Å; Q123-V154 HydrophobicContact CB-CB 4.18Å; Q123-V154 HydrophobicContact CB-CG2 4.39Å; Q123-L277 HydrophobicContact CG-CD2 4.32Å
124I98.2Very high94.7Very high0 Ų025.7 Ų25.70%012%0.118CC..Hα-helixtrans-63.4-52.4175.2-66.6159.8000110.2L102 F120 F121 S126 G127 V128 L146 V154 I204 F208L102-I124 HydrophobicContact CD2-CD1 4.44Å; F120-I124 WeakPolarHBondContact O-CD1 3.22Å; F120-I124 VanDerWaalsContact O-CG1 3.3Å; F120-I124 WeakPolarHBondContact O-CG1 3.46Å; F120-I124 PolarHBondContact O-N 3.15Å; F121-I124 PolarHBondContact O-N 2.87Å; I124-S126 VanDerWaalsContact C-N 3.28Å; I124-S126 PolarHBondContact O-N 3.14Å; I124-G127 PolarHBondContact O-N 3.16Å; I124-V128 HydrophobicContact CG2-CG2 4.19Å; I124-V128 WeakPolarHBondContact O-CG2 3.47Å; I124-V128 PolarHBondContact O-N 3.11Å; I124-L146 HydrophobicContact CD1-CD1 3.54Å; I124-L146 HydrophobicContact CG1-CD1 4.03Å; I124-L146 HydrophobicContact CG1-CD2 4.2Å; I124-V154 HydrophobicContact CD1-CG1 4.35Å; I124-V154 HydrophobicContact CG1-CB 4.25Å; I124-V154 HydrophobicContact CG1-CG1 3.66Å; I124-V154 HydrophobicContact CG1-CG2 4.3Å; I124-I204 HydrophobicContact CD1-CG2 4.1Å; I124-F208 HydrophobicContact CD1-CE2 3.8Å; I124-F208 HydrophobicContact CD1-CZ 3.69Å
125I98.5Very high94.3Very high0 Ų026 Ų260%012%0.12CC..Hα-helixtrans-58.8-41.2-179.5-67.2-53.4000111F121 Q122 G127 V128 D129 C201 M260 I263 I264 F269 F278F121-I125 HydrophobicContact CD1-CG1 3.95Å; F121-I125 HydrophobicContact CD2-CG1 4.35Å; F121-I125 HydrophobicContact CE1-CD1 4.07Å; F121-I125 HydrophobicContact CE1-CG1 3.55Å; F121-I125 HydrophobicContact CE2-CD1 3.87Å; F121-I125 HydrophobicContact CE2-CG1 3.97Å; F121-I125 HydrophobicContact CG-CG1 4.33Å; F121-I125 HydrophobicContact CZ-CD1 3.56Å; F121-I125 HydrophobicContact CZ-CG1 3.56Å; F121-I125 VanDerWaalsContact O-CG1 3.32Å; F121-I125 WeakPolarHBondContact O-CG1 3.37Å; F121-I125 PolarHBondContact O-N 3.28Å; Q122-I125 PolarHBondContact O-N 3.01Å; I125-G127 PolarHBondContact O-N 3.42Å; I125-V128 PolarHBondContact O-N 3.27Å; I125-D129 VanDerWaalsContact O-CB 3.27Å; I125-D129 WeakPolarHBondContact O-CB 3.41Å; I125-D129 PolarHBondContact O-N 3.36Å; I125-C201 HydrophobicContact CD1-CB 3.96Å; I125-M260 HydrophobicContact CG2-SD 3.52Å; I125-M260 VanDerWaalsContact CG2-SD 3.52Å; I125-I263 HydrophobicContact CD1-CD1 4.49Å; I125-I263 HydrophobicContact CD1-CG2 4.29Å; I125-I263 HydrophobicContact CG1-CG2 4.13Å; I125-I263 HydrophobicContact CG2-CG2 4.15Å; I125-I264 HydrophobicContact CG2-CG1 4.14Å; I125-F269 HydrophobicContact CB-CE2 3.75Å; I125-F269 HydrophobicContact CB-CZ 3.86Å; I125-F269 HydrophobicContact CG1-CE2 3.79Å; I125-F269 HydrophobicContact CG1-CZ 4.41Å; I125-F269 HydrophobicContact CG2-CE2 3.86Å; I125-F269 HydrophobicContact CG2-CZ 3.69Å; I125-F278 HydrophobicContact CG2-CE1 4.45Å; I125-F278 HydrophobicContact CG2-CZ 3.88Å
126S96.3Very high94Very high1 Ų122.2 Ų22.21%0.00710%0.097CC..Hα-helixtrans-57.2-46.7173.4175.40000112.5H74 Q122 I124 Y130 L277H74-S126 PolarHBondContact CE1-OG 3.31Å; H74-S126 PolarHBondContact NE2-OG 3.07Å; H74-S126 VanDerWaalsContact NE2-OG 3.09Å; Q122-S126 VanDerWaalsContact O-CB 3.3Å; Q122-S126 WeakPolarHBondContact O-CB 3.42Å; Q122-S126 PolarHBondContact O-N 3.11Å; I124-S126 VanDerWaalsContact C-N 3.28Å; I124-S126 PolarHBondContact O-N 3.14Å; S126-Y130 WeakPolarHBondContact O-CB 3.08Å; S126-Y130 PolarHBondContact O-N 2.78Å; S126-L277 PolarHBondContact OG-O 2.97Å
127G94.4Very high93.9Very high0 Ų020.4 Ų20.40%09%0.087CC..Hα-helixtrans-66.1-39.4176.400000113.9H74 Q123 I124 I125 Y130 C131H74-G127 VanDerWaalsContact CE1-CA 3.49Å; H74-G127 WeakPolarHBondContact CE1-CA 3.4Å; H74-G127 PolarHBondContact CE1-N 2.68Å; Q123-G127 PolarHBondContact O-N 3Å; Q123-G127 VanDerWaalsContact O-N 3.13Å; I124-G127 PolarHBondContact O-N 3.16Å; I125-G127 PolarHBondContact O-N 3.42Å; G127-Y130 PolarHBondContact O-N 2.81Å; G127-C131 PolarHBondContact O-N 2.97Å; G127-C131 VanDerWaalsContact O-N 3.09Å; G127-C131 PolarHBondContact O-SG 3.25Å
128V96.8Very high93.7Very high1 Ų120.5 Ų20.51%0.0069%0.088CC..Hα-helixtrans-71-43.8179.5178.10000111.3I124 I125 Y130 C131 H132 L141 I156 D197 M260I124-V128 HydrophobicContact CG2-CG2 4.19Å; I124-V128 WeakPolarHBondContact O-CG2 3.47Å; I124-V128 PolarHBondContact O-N 3.11Å; I125-V128 PolarHBondContact O-N 3.27Å; V128-Y130 VanDerWaalsContact C-N 3.28Å; V128-Y130 PolarHBondContact O-N 3.11Å; V128-C131 WeakPolarHBondContact O-CB 3.5Å; V128-C131 PolarHBondContact O-N 3.04Å; V128-C131 VanDerWaalsContact O-N 3.08Å; V128-H132 VanDerWaalsContact CG1-CE1 3.48Å; V128-H132 WeakPolarHBondContact CG1-CE1 3.3Å; V128-H132 WeakPolarHBondContact CG1-NE2 3.49Å; V128-H132 PolarHBondContact O-CD2 2.99Å; V128-H132 PolarHBondContact O-N 3.3Å; V128-L141 HydrophobicContact CG1-CD1 4.25Å; V128-L141 HydrophobicContact CG2-CD1 3.6Å; V128-L141 HydrophobicContact CG2-CD2 4.17Å; V128-I156 HydrophobicContact CG2-CD1 3.86Å; V128-D197 HydrophobicContact CG1-CB 4.05Å; V128-M260 HydrophobicContact CB-CE 4.03Å; V128-M260 HydrophobicContact CG1-CE 3.62Å
129D94.9Very high93.5Very high13 Ų1320.7 Ų20.77%0.079%0.088CC..Hα-helixtrans-57.2-43.8173.1176.344.9000110.9I125 C131 H132 R133 M260 F278I125-D129 VanDerWaalsContact O-CB 3.27Å; I125-D129 WeakPolarHBondContact O-CB 3.41Å; I125-D129 PolarHBondContact O-N 3.36Å; D129-C131 VanDerWaalsContact C-N 3.32Å; D129-C131 PolarHBondContact O-N 3.39Å; D129-H132 PolarHBondContact O-N 2.86Å; D129-R133 VanDerWaalsContact CG-NE 3.3Å; D129-R133 WeakPolarHBondContact O-CB 3.43Å; D129-R133 VanDerWaalsContact O-CG 3.27Å; D129-R133 WeakPolarHBondContact O-CG 3.4Å; D129-R133 PolarHBondContact O-N 3.1Å; D129-R133 IonicContact OD1-CZ 3.95Å; D129-R133 IonicContact OD1-NE 2.67Å; D129-R133 PolarHBondContact OD1-NE 2.83Å; D129-R133 VanDerWaalsContact OD1-NE 3.08Å; D129-R133 IonicContact OD1-NH2 3.98Å; D129-R133 IonicContact OD2-CZ 2.97Å; D129-R133 IonicContact OD2-NE 3.68Å; D129-R133 PolarHBondContact OD2-NE 3.06Å; D129-R133 IonicContact OD2-NH1 2.78Å; D129-R133 IonicContact OD2-NH2 2.68Å; D129-R133 PolarHBondContact OD2-NH2 3Å; D129-M260 HydrophobicContact CB-CE 4.22Å; D129-M260 HydrophobicContact CB-CG 3.73Å; D129-M260 HydrophobicContact CB-SD 3.89Å; D129-F278 HydrophobicContact CB-CE1 4.09Å
130Y92.2Very high93.3Very high34 Ų3417.9 Ų17.913%0.1338%0.079CC..Hα-helixtrans-59-41.8174.7-175-88.5000112.4F72 R73 H74 I77 S126 G127 V128 H134F72-Y130 HydrophobicContact CB-CE1 4.12Å; F72-Y130 HydrophobicContact CD1-CD1 4.25Å; F72-Y130 AromaticContact CD1-CE1 3.73Å; F72-Y130 HydrophobicContact CD1-CE1 3.73Å; F72-Y130 HydrophobicContact CG-CE1 4.18Å; R73-Y130 PolarHBondContact N-OH 3.1Å; R73-Y130 VanDerWaalsContact N-OH 3.09Å; R73-Y130 PolarHBondContact O-OH 3.36Å; H74-Y130 HydrophobicContact CB-CD1 3.86Å; H74-Y130 HydrophobicContact CB-CD2 4.34Å; H74-Y130 HydrophobicContact CB-CE1 4Å; H74-Y130 HydrophobicContact CB-CE2 4.47Å; H74-Y130 HydrophobicContact CB-CG 4.02Å; H74-Y130 AromaticContact CD2-CD2 3.54Å; H74-Y130 AromaticContact CD2-CG 3.55Å; H74-Y130 AromaticContact CG-CG 3.9Å; I77-Y130 HydrophobicContact CD1-CD1 3.61Å; I77-Y130 HydrophobicContact CD1-CE1 4.32Å; I77-Y130 HydrophobicContact CD1-CG 4.39Å; S126-Y130 WeakPolarHBondContact O-CB 3.08Å; S126-Y130 PolarHBondContact O-N 2.78Å; G127-Y130 PolarHBondContact O-N 2.81Å; V128-Y130 VanDerWaalsContact C-N 3.28Å; V128-Y130 PolarHBondContact O-N 3.11Å; Y130-H134 AromaticContact CD1-ND1 3.84Å; Y130-H134 AromaticContact CD2-CE1 3.96Å; Y130-H134 AromaticContact CE1-CE1 3.57Å; Y130-H134 AromaticContact CE1-ND1 3.67Å; Y130-H134 AromaticContact CE2-CE1 3.44Å; Y130-H134 VanDerWaalsContact CE2-CE1 3.44Å; Y130-H134 WeakPolarHBondContact CE2-CE1 3.31Å; Y130-H134 AromaticContact CZ-CE1 3.23Å; Y130-H134 AromaticContact CZ-ND1 3.83Å; Y130-H134 AromaticContact CZ-NE2 3.87Å; Y130-H134 PolarHBondContact O-N 3.33Å; Y130-H134 PolarHBondContact O-ND1 3.09Å
131C91.7Very high93.2Very high2 Ų217.9 Ų17.91%0.0148%0.079CC..Hα-helixtrans-62.2-48.3174.7-64.10000111.4F72 I77 G127 V128 D129 R133 H134 M135 V136F72-C131 HydrophobicContact CZ-CB 4.45Å; I77-C131 VanDerWaalsContact CD1-SG 3.53Å; G127-C131 PolarHBondContact O-N 2.97Å; G127-C131 VanDerWaalsContact O-N 3.09Å; G127-C131 PolarHBondContact O-SG 3.25Å; V128-C131 WeakPolarHBondContact O-CB 3.5Å; V128-C131 PolarHBondContact O-N 3.04Å; V128-C131 VanDerWaalsContact O-N 3.08Å; D129-C131 VanDerWaalsContact C-N 3.32Å; D129-C131 PolarHBondContact O-N 3.39Å; C131-R133 VanDerWaalsContact C-N 3.33Å; C131-R133 PolarHBondContact O-N 3.42Å; C131-H134 CarbonylContact O-C 3.48Å; C131-H134 WeakPolarHBondContact O-CA 3.47Å; C131-H134 PolarHBondContact O-N 2.86Å; C131-M135 PolarHBondContact O-N 3.38Å; C131-V136 CarbonylContact C-O 3.58Å; C131-V136 WeakPolarHBondContact CB-O 3.47Å; C131-V136 PolarHBondContact O-N 3.34Å; C131-V136 VanDerWaalsContact O-O 3.06Å
132H90.9Very high93Very high22 Ų2219.5 Ų19.510%0.1029%0.086CC..Hα-helixtrans-62.1-39.4-178.5-67.6-179.9000111.8V128 D129 H134 M135 V136 P194 D197V128-H132 VanDerWaalsContact CG1-CE1 3.48Å; V128-H132 WeakPolarHBondContact CG1-CE1 3.3Å; V128-H132 WeakPolarHBondContact CG1-NE2 3.49Å; V128-H132 PolarHBondContact O-CD2 2.99Å; V128-H132 PolarHBondContact O-N 3.3Å; D129-H132 PolarHBondContact O-N 2.86Å; H132-H134 PolarHBondContact O-N 3.45Å; H132-M135 WeakPolarHBondContact O-CA 3.4Å; H132-M135 PolarHBondContact O-N 3.45Å; H132-V136 PolarHBondContact CD2-O 3.38Å; H132-V136 PolarHBondContact N-O 2.89Å; H132-P194 VanDerWaalsContact CE1-CA 3.5Å; H132-P194 WeakPolarHBondContact CE1-CA 3.35Å; H132-D197 IonicContact CD2-OD2 2.9Å; H132-D197 IonicContact CE1-OD2 2.94Å; H132-D197 IonicContact NE2-OD2 3.93Å; H132-D197 PolarHBondContact NE2-OD2 2.82Å
133R86.2Confident92.6Very high109 Ų10919.3 Ų19.341%0.4119%0.085SC..Hα-helixtrans-62.5-27.6173.6-71174.7-171.8-165.24.5113.5D129 C131 M135D129-R133 VanDerWaalsContact CG-NE 3.3Å; D129-R133 WeakPolarHBondContact O-CB 3.43Å; D129-R133 VanDerWaalsContact O-CG 3.27Å; D129-R133 WeakPolarHBondContact O-CG 3.4Å; D129-R133 PolarHBondContact O-N 3.1Å; D129-R133 IonicContact OD1-CZ 3.95Å; D129-R133 IonicContact OD1-NE 2.67Å; D129-R133 PolarHBondContact OD1-NE 2.83Å; D129-R133 VanDerWaalsContact OD1-NE 3.08Å; D129-R133 IonicContact OD1-NH2 3.98Å; D129-R133 IonicContact OD2-CZ 2.97Å; D129-R133 IonicContact OD2-NE 3.68Å; D129-R133 PolarHBondContact OD2-NE 3.06Å; D129-R133 IonicContact OD2-NH1 2.78Å; D129-R133 IonicContact OD2-NH2 2.68Å; D129-R133 PolarHBondContact OD2-NH2 3Å; C131-R133 VanDerWaalsContact C-N 3.33Å; C131-R133 PolarHBondContact O-N 3.42Å; R133-M135 VanDerWaalsContact C-N 3.25Å
134H83.4Confident92.1Very high70 Ų7022 Ų2232%0.32410%0.098SC..THydrogen-bonded Turntrans-9116.5173.7-70.780.1000112.6F72 Y130 C131 H132 V136F72-H134 HydrophobicContact CE1-CB 3.78Å; Y130-H134 AromaticContact CD1-ND1 3.84Å; Y130-H134 AromaticContact CD2-CE1 3.96Å; Y130-H134 AromaticContact CE1-CE1 3.57Å; Y130-H134 AromaticContact CE1-ND1 3.67Å; Y130-H134 AromaticContact CE2-CE1 3.44Å; Y130-H134 VanDerWaalsContact CE2-CE1 3.44Å; Y130-H134 WeakPolarHBondContact CE2-CE1 3.31Å; Y130-H134 AromaticContact CZ-CE1 3.23Å; Y130-H134 AromaticContact CZ-ND1 3.83Å; Y130-H134 AromaticContact CZ-NE2 3.87Å; Y130-H134 PolarHBondContact O-N 3.33Å; Y130-H134 PolarHBondContact O-ND1 3.09Å; C131-H134 CarbonylContact O-C 3.48Å; C131-H134 WeakPolarHBondContact O-CA 3.47Å; C131-H134 PolarHBondContact O-N 2.86Å; H132-H134 PolarHBondContact O-N 3.45Å; H134-V136 PolarHBondContact O-N 3.29Å
135M86.1Confident91.9Very high76 Ų7622.8 Ų22.837%0.37410%0.102SC..THydrogen-bonded Turntrans57.536.4-178.8-59.1-62.4-80.300112.3C131 H132 R133 F164 L165 D167C131-M135 PolarHBondContact O-N 3.38Å; H132-M135 WeakPolarHBondContact O-CA 3.4Å; H132-M135 PolarHBondContact O-N 3.45Å; R133-M135 VanDerWaalsContact C-N 3.25Å; M135-F164 CarbonylContact O-C 3.46Å; M135-F164 VanDerWaalsContact O-CA 3.27Å; M135-F164 WeakPolarHBondContact O-CA 3.19Å; M135-L165 HydrophobicContact CB-CB 4.11Å; M135-L165 HydrophobicContact CE-CB 3.7Å; M135-L165 PolarHBondContact O-N 3.17Å; M135-L165 HydrophobicContact SD-CB 4.3Å; M135-L165 HydrophobicContact SD-CD1 4.47Å; M135-D167 WeakPolarHBondContact CE-OD1 3.22Å
136V88.3Confident91.7Very high0 Ų022.8 Ų22.80%010%0.102CC..EExtended strand (participates in β ladder)trans-122.4131.3176.1176.80000110F72 C131 H132 H134 F159 N163 F164F72-V136 HydrophobicContact CE1-CB 4.49Å; F72-V136 HydrophobicContact CE1-CG2 4.26Å; F72-V136 HydrophobicContact CE2-CG1 4.44Å; F72-V136 HydrophobicContact CZ-CB 3.77Å; F72-V136 HydrophobicContact CZ-CG1 3.87Å; F72-V136 HydrophobicContact CZ-CG2 3.8Å; C131-V136 CarbonylContact C-O 3.58Å; C131-V136 WeakPolarHBondContact CB-O 3.47Å; C131-V136 PolarHBondContact O-N 3.34Å; C131-V136 VanDerWaalsContact O-O 3.06Å; H132-V136 PolarHBondContact CD2-O 3.38Å; H132-V136 PolarHBondContact N-O 2.89Å; H134-V136 PolarHBondContact O-N 3.29Å; V136-F159 HydrophobicContact CG1-CD1 4.49Å; V136-N163 WeakPolarHBondContact CA-O 3.45Å; V136-F164 HydrophobicContact CG2-CD1 3.77Å; V136-F164 HydrophobicContact CG2-CE1 3.83Å
137V91.8Very high91.7Very high0 Ų024.7 Ų24.70%011%0.112CC..EExtended strand (participates in β ladder)trans-108.8140.4169.6-71.40000110.6R139 S162 N163 L165 L171 P194 D197V137-R139 HydrophobicContact CB-CG 4.18Å; V137-R139 HydrophobicContact CG2-CG 3.86Å; V137-S162 CarbonylContact O-C 3.59Å; V137-S162 WeakPolarHBondContact O-CA 3.39Å; V137-S162 VanDerWaalsContact O-CB 3.24Å; V137-S162 WeakPolarHBondContact O-CB 3.33Å; V137-N163 HydrophobicContact CG2-CB 4.38Å; V137-N163 PolarHBondContact N-O 3.29Å; V137-N163 PolarHBondContact O-N 2.83Å; V137-L165 HydrophobicContact CB-CD2 4.48Å; V137-L165 HydrophobicContact CG1-CD1 3.95Å; V137-L165 HydrophobicContact CG1-CD2 3.66Å; V137-L165 HydrophobicContact CG1-CG 3.93Å; V137-L165 HydrophobicContact CG2-CD2 3.99Å; V137-L171 HydrophobicContact CG2-CD1 3.72Å; V137-P194 HydrophobicContact CG1-CG 4.17Å; V137-D197 WeakPolarHBondContact CA-OD2 3.3Å
138H93.1Very high91.6Very high3 Ų324.7 Ų24.71%0.01411%0.112CC..  trans-80-48.3-173.5-169.9-80.8000111.9D140 L141 A157 D158 F159 L161 S162 D197H138-D140 PolarHBondContact CE1-O 3.47Å; H138-D140 VanDerWaalsContact ND1-C 3.3Å; H138-D140 PolarHBondContact ND1-N 3.44Å; H138-D140 PolarHBondContact ND1-O 3.45Å; H138-D140 PolarHBondContact O-N 3.43Å; H138-D140 VanDerWaalsContact O-N 3.11Å; H138-L141 HydrophobicContact CB-CD1 4.29Å; H138-L141 HydrophobicContact CB-CD2 4.06Å; H138-L141 HydrophobicContact CB-CG 3.85Å; H138-L141 PolarHBondContact ND1-N 3.3Å; H138-A157 PolarHBondContact NE2-O 2.89Å; H138-A157 VanDerWaalsContact NE2-O 3.09Å; H138-D158 PolarHBondContact CE1-O 2.97Å; H138-D158 VanDerWaalsContact CE1-O 3.29Å; H138-D158 PolarHBondContact NE2-O 2.86Å; H138-F159 AromaticContact CD2-CD1 3.72Å; H138-F159 AromaticContact CD2-CE1 3.56Å; H138-F159 AromaticContact CD2-CZ 3.83Å; H138-L161 CarbonylContact O-C 3.49Å; H138-S162 WeakPolarHBondContact O-CA 3.4Å; H138-S162 PolarHBondContact O-N 3.44Å; H138-D197 PolarHBondContact N-OD2 3.41Å
139R92.5Very high91.4Very high20 Ų2025.3 Ų25.38%0.07512%0.115CC..SBendtrans66.1-6.3177.2-51.2-168.7-63170.1-0.9117.6V137 L161 Y191 D197V137-R139 HydrophobicContact CB-CG 4.18Å; V137-R139 HydrophobicContact CG2-CG 3.86Å; R139-L161 PolarHBondContact NE-O 3.24Å; R139-L161 PolarHBondContact NH2-O 3.49Å; R139-Y191 PolarHBondContact NH1-OH 3.15Å; R139-D197 WeakPolarHBondContact CA-OD1 3.31Å; R139-D197 PolarHBondContact N-OD1 2.83Å
140D92.8Very high91.1Very high14 Ų1427.7 Ų27.78%0.07513%0.132CC..  trans-131.643.3172.3-165.633.1000111.4H138 K142 N145 L161 G176H138-D140 PolarHBondContact CE1-O 3.47Å; H138-D140 VanDerWaalsContact ND1-C 3.3Å; H138-D140 PolarHBondContact ND1-N 3.44Å; H138-D140 PolarHBondContact ND1-O 3.45Å; H138-D140 PolarHBondContact O-N 3.43Å; H138-D140 VanDerWaalsContact O-N 3.11Å; D140-K142 VanDerWaalsContact CG-NZ 3.26Å; D140-K142 PolarHBondContact O-N 3.35Å; D140-K142 IonicContact OD1-NZ 2.78Å; D140-K142 PolarHBondContact OD1-NZ 2.93Å; D140-K142 IonicContact OD2-NZ 2.67Å; D140-K142 PolarHBondContact OD2-NZ 2.9Å; D140-N145 PolarHBondContact O-ND2 3.03Å; D140-N145 PolarHBondContact OD2-ND2 2.97Å; D140-L161 HydrophobicContact CB-CB 4.14Å; D140-L161 HydrophobicContact CB-CD1 3.77Å; D140-L161 HydrophobicContact CB-CG 4.44Å; D140-G176 WeakPolarHBondContact OD1-CA 3.42Å
141L95.6Very high90.9Very high0 Ų026.8 Ų26.80%013%0.129CC..  trans-71.9119.4174.8-71169.6000109.4V128 H138 I156 D197 S200 I204V128-L141 HydrophobicContact CG1-CD1 4.25Å; V128-L141 HydrophobicContact CG2-CD1 3.6Å; V128-L141 HydrophobicContact CG2-CD2 4.17Å; H138-L141 HydrophobicContact CB-CD1 4.29Å; H138-L141 HydrophobicContact CB-CD2 4.06Å; H138-L141 HydrophobicContact CB-CG 3.85Å; H138-L141 PolarHBondContact ND1-N 3.3Å; L141-I156 HydrophobicContact CD2-CG2 4.09Å; L141-D197 HydrophobicContact CD1-CB 3.72Å; L141-S200 WeakPolarHBondContact O-CB 3.48Å; L141-I204 HydrophobicContact CB-CD1 4.17Å
142K93.1Very high90.9Very high34 Ų3428.9 Ų28.915%0.14814%0.14CC..SBendtrans-160.1158.3177.861.5-174.9-178.9-139.10109.2D140 E144 N145 L146 Y180D140-K142 VanDerWaalsContact CG-NZ 3.26Å; D140-K142 PolarHBondContact O-N 3.35Å; D140-K142 IonicContact OD1-NZ 2.78Å; D140-K142 PolarHBondContact OD1-NZ 2.93Å; D140-K142 IonicContact OD2-NZ 2.67Å; D140-K142 PolarHBondContact OD2-NZ 2.9Å; K142-E144 VanDerWaalsContact CB-OE2 3.26Å; K142-E144 WeakPolarHBondContact CB-OE2 3.39Å; K142-E144 HydrophobicContact CD-CB 4.42Å; K142-E144 WeakPolarHBondContact CD-OE2 3.25Å; K142-E144 HydrophobicContact CG-CB 4.27Å; K142-E144 WeakPolarHBondContact CG-OE2 3.46Å; K142-E144 PolarHBondContact O-N 3.03Å; K142-E144 VanDerWaalsContact O-N 3.11Å; K142-N145 HydrophobicContact CG-CB 4.23Å; K142-N145 PolarHBondContact O-N 2.99Å; K142-L146 PolarHBondContact O-N 2.87Å; K142-Y180 HydrophobicContact CB-CD1 4.19Å; K142-Y180 HydrophobicContact CB-CD2 3.74Å; K142-Y180 HydrophobicContact CB-CE1 4.29Å; K142-Y180 HydrophobicContact CB-CE2 3.82Å; K142-Y180 HydrophobicContact CB-CG 3.92Å
143P90.2Very high91Very high1 Ų129.1 Ų29.11%0.00614%0.142CC..G310 helixtrans-53.1-30.2-178.3-29.538.6000115.2F103 I106 N145 L146 Y180 I204F103-P143 HydrophobicContact CB-CB 3.75Å; F103-P143 HydrophobicContact CD2-CB 3.87Å; F103-P143 HydrophobicContact CD2-CG 4.43Å; F103-P143 HydrophobicContact CG-CB 4.3Å; I106-P143 HydrophobicContact CD1-CB 4.49Å; P143-N145 VanDerWaalsContact C-N 3.28Å; P143-N145 PolarHBondContact O-N 3.11Å; P143-L146 PolarHBondContact O-N 3.28Å; P143-L146 VanDerWaalsContact O-O 3.1Å; P143-Y180 WeakPolarHBondContact CD-OH 3.47Å; P143-Y180 HydrophobicContact CG-CE1 4.12Å; P143-Y180 WeakPolarHBondContact CG-OH 3.44Å; P143-I204 HydrophobicContact CG-CG1 4.43Å
144E87.8Confident91.5Very high63 Ų6323.9 Ų23.929%0.29412%0.122SC..G310 helixtrans-68.5-26.8177-54.893.8137.800112.4K142K142-E144 VanDerWaalsContact CB-OE2 3.26Å; K142-E144 WeakPolarHBondContact CB-OE2 3.39Å; K142-E144 HydrophobicContact CD-CB 4.42Å; K142-E144 WeakPolarHBondContact CD-OE2 3.25Å; K142-E144 HydrophobicContact CG-CB 4.27Å; K142-E144 WeakPolarHBondContact CG-OE2 3.46Å; K142-E144 PolarHBondContact O-N 3.03Å; K142-E144 VanDerWaalsContact O-N 3.11Å
145N93.2Very high92.1Very high16 Ų1621.1 Ų21.19%0.08611%0.109CC..G310 helixtrans-95.88.6176.2-71.4-14.1000112.5D140 K142 P143 A157D140-N145 PolarHBondContact O-ND2 3.03Å; D140-N145 PolarHBondContact OD2-ND2 2.97Å; K142-N145 HydrophobicContact CG-CB 4.23Å; K142-N145 PolarHBondContact O-N 2.99Å; P143-N145 VanDerWaalsContact C-N 3.28Å; P143-N145 PolarHBondContact O-N 3.11Å; N145-A157 PolarHBondContact O-N 3.36Å
146L95.2Very high92.5Very high0 Ų017.6 Ų17.60%09%0.092CC..EExtended strand (participates in β ladder)trans-111.9114.4174.6-62.7177.3000108.1L102 I124 K142 P143 V154 I156 I204L102-L146 HydrophobicContact CB-CB 3.92Å; L102-L146 VanDerWaalsContact CB-O 3.25Å; L102-L146 WeakPolarHBondContact CB-O 3.26Å; L102-L146 HydrophobicContact CD2-CB 3.94Å; L102-L146 HydrophobicContact CD2-CD1 3.92Å; L102-L146 PolarHBondContact N-O 2.9Å; I124-L146 HydrophobicContact CD1-CD1 3.54Å; I124-L146 HydrophobicContact CG1-CD1 4.03Å; I124-L146 HydrophobicContact CG1-CD2 4.2Å; K142-L146 PolarHBondContact O-N 2.87Å; P143-L146 PolarHBondContact O-N 3.28Å; P143-L146 VanDerWaalsContact O-O 3.1Å; L146-V154 HydrophobicContact CB-CG1 4.11Å; L146-V154 HydrophobicContact CD2-CG1 3.94Å; L146-V154 HydrophobicContact CG-CG1 4.45Å; L146-I156 HydrophobicContact CD2-CB 4.42Å; L146-I156 HydrophobicContact CD2-CG1 3.77Å; L146-I204 HydrophobicContact CD1-CD1 4.12Å; L146-I204 HydrophobicContact CD1-CG2 4.16Å
147L94.8Very high92.7Very high40 Ų4018.2 Ų18.221%0.20910%0.097CC..EExtended strand (participates in β ladder)trans-102159.7179.7-55180000111I78 V97 G100 E101 V154 K155 A157I78-L147 HydrophobicContact CD1-CD1 4.37Å; V97-L147 HydrophobicContact CG2-CB 3.47Å; V97-L147 VanDerWaalsContact CG2-CB 3.47Å; V97-L147 HydrophobicContact CG2-CD1 3.57Å; V97-L147 HydrophobicContact CG2-CG 4.15Å; G100-L147 CarbonylContact O-C 3.1Å; G100-L147 VanDerWaalsContact O-CA 3.29Å; G100-L147 WeakPolarHBondContact O-CA 3.38Å; E101-L147 HydrophobicContact CB-CD2 4.49Å; E101-L147 HydrophobicContact CG-CD2 3.84Å; L147-V154 CarbonylContact O-C 3.44Å; L147-V154 WeakPolarHBondContact O-CA 3.36Å; L147-K155 HydrophobicContact CB-CB 4.37Å; L147-K155 PolarHBondContact N-O 3.38Å; L147-K155 PolarHBondContact O-N 3.4Å; L147-A157 HydrophobicContact CD1-CB 3.83Å; L147-A157 HydrophobicContact CG-CB 3.98Å
148L93.8Very high92.3Very high1 Ų120.9 Ų20.91%0.00511%0.111CC..EExtended strand (participates in β ladder)trans-112.2138.7174.4-69.2178.4000111.3V97 G99 G100 L102 Y105 F120 N153 V154V97-L148 WeakPolarHBondContact CB-O 3.11Å; G99-L148 WeakPolarHBondContact CA-O 3.45Å; G99-L148 PolarHBondContact N-O 3.21Å; G100-L148 PolarHBondContact O-N 2.94Å; L102-L148 HydrophobicContact CB-CG 4.43Å; L102-L148 HydrophobicContact CD1-CD1 3.83Å; L102-L148 HydrophobicContact CD1-CD2 4.02Å; L102-L148 HydrophobicContact CD1-CG 4.06Å; Y105-L148 HydrophobicContact CD2-CD1 3.64Å; Y105-L148 HydrophobicContact CE2-CD1 4.25Å; Y105-L148 HydrophobicContact CG-CD1 3.86Å; F120-L148 HydrophobicContact CD1-CD2 4.41Å; F120-L148 HydrophobicContact CE1-CD2 3.88Å; L148-N153 WeakPolarHBondContact CA-O 3.39Å; L148-V154 HydrophobicContact CD2-CG2 4.14Å
149D91.5Very high91.9Very high14 Ų1420.9 Ų20.98%0.07511%0.111CC..  trans-78.9-174.3164.676.22.8000111.5V97 H151 D152 N153V97-D149 HydrophobicContact CG1-CB 4.49Å; D149-H151 PolarHBondContact O-N 3.37Å; D149-H151 WeakPolarHBondContact OD1-CA 3.15Å; D149-H151 WeakPolarHBondContact OD1-CB 3.48Å; D149-H151 PolarHBondContact OD1-N 2.8Å; D149-H151 IonicContact OD1-ND1 3.89Å; D149-H151 IonicContact OD2-ND1 3.8Å; D149-D152 PolarHBondContact O-N 3.15Å; D149-D152 PolarHBondContact OD1-N 3.5Å; D149-N153 PolarHBondContact N-O 3Å; D149-N153 WeakPolarHBondContact OD1-CB 3.29Å; D149-N153 PolarHBondContact OD1-N 3.47Å; D149-N153 PolarHBondContact OD1-ND2 3.22Å; D149-N153 WeakPolarHBondContact OD2-CB 3.49Å; D149-N153 PolarHBondContact OD2-ND2 2.8Å
150C89Confident91Very high62 Ų6220.2 Ų20.242%0.41911%0.11SC..THydrogen-bonded Turntrans-72.70.5179.255.80000115S98S98-C150 WeakPolarHBondContact OG-CB 3.21Å
151H88.3Confident90.1Very high16 Ų1621.8 Ų21.87%0.07412%0.119CC..THydrogen-bonded Turntrans-117.314.7179-50.5105.6000112.6D149 N153 I333 A336 T337 H340D149-H151 PolarHBondContact O-N 3.37Å; D149-H151 WeakPolarHBondContact OD1-CA 3.15Å; D149-H151 WeakPolarHBondContact OD1-CB 3.48Å; D149-H151 PolarHBondContact OD1-N 2.8Å; D149-H151 IonicContact OD1-ND1 3.89Å; D149-H151 IonicContact OD2-ND1 3.8Å; H151-N153 VanDerWaalsContact C-N 3.29Å; H151-N153 PolarHBondContact O-N 3.29Å; H151-I333 PolarHBondContact CE1-O 3.03Å; H151-I333 PolarHBondContact NE2-O 3.45Å; H151-A336 VanDerWaalsContact CE1-CB 3.47Å; H151-A336 WeakPolarHBondContact CE1-CB 3.12Å; H151-A336 WeakPolarHBondContact ND1-CB 3.36Å; H151-T337 VanDerWaalsContact CD2-CA 3.44Å; H151-T337 WeakPolarHBondContact CD2-CA 3.46Å; H151-T337 PolarHBondContact CD2-N 3.16Å; H151-T337 PolarHBondContact CE1-N 3.13Å; H151-T337 PolarHBondContact CE1-OG1 3.28Å; H151-T337 VanDerWaalsContact CE1-OG1 3.28Å; H151-T337 WeakPolarHBondContact NE2-CA 3.48Å; H151-T337 WeakPolarHBondContact NE2-CB 3.18Å; H151-T337 PolarHBondContact NE2-N 3.29Å; H151-T337 PolarHBondContact NE2-OG1 2.82Å; H151-H340 AromaticContact CD2-CD2 3.88Å; H151-H340 AromaticContact CG-CD2 3.93Å
152D91.3Very high89.3Confident45 Ų4522 Ų2224%0.24112%0.121CC..SBendtrans54.545.8-171.2-62.9-17.8000111.4Y105 R119 F120 D149Y105-D152 WeakPolarHBondContact CE2-OD2 3.25Å; Y105-D152 PolarHBondContact OH-OD2 3.23Å; R119-D152 PolarHBondContact NH2-O 2.94Å; F120-D152 HydrophobicContact CE1-CB 3.98Å; F120-D152 WeakPolarHBondContact CE1-O 3.36Å; F120-D152 HydrophobicContact CZ-CB 4.13Å; D149-D152 PolarHBondContact O-N 3.15Å; D149-D152 PolarHBondContact OD1-N 3.5Å
153N94.2Very high88.8Confident27 Ų2721.6 Ų21.614%0.14412%0.12CC..  trans-98.5136.5163.3-59.1-60.9000110.9Q123 L148 D149 H151Q123-N153 PolarHBondContact NE2-OD1 2.96Å; L148-N153 WeakPolarHBondContact CA-O 3.39Å; D149-N153 PolarHBondContact N-O 3Å; D149-N153 WeakPolarHBondContact OD1-CB 3.29Å; D149-N153 PolarHBondContact OD1-N 3.47Å; D149-N153 PolarHBondContact OD1-ND2 3.22Å; D149-N153 WeakPolarHBondContact OD2-CB 3.49Å; D149-N153 PolarHBondContact OD2-ND2 2.8Å; H151-N153 VanDerWaalsContact C-N 3.29Å; H151-N153 PolarHBondContact O-N 3.29Å
154V96Very high88.4Confident0 Ų024.4 Ų24.40%013%0.132CC..EExtended strand (participates in β ladder)trans-74.1140-180-172.60000111.3H76 L102 F120 Q123 I124 L146 L147 L148H76-V154 WeakPolarHBondContact CA-O 3.31Å; H76-V154 WeakPolarHBondContact CB-O 3.36Å; H76-V154 PolarHBondContact ND1-O 3.33Å; L102-V154 HydrophobicContact CD2-CG2 4.2Å; F120-V154 HydrophobicContact CB-CG2 3.96Å; F120-V154 HydrophobicContact CD1-CG2 3.6Å; F120-V154 HydrophobicContact CE1-CG2 4.46Å; F120-V154 HydrophobicContact CG-CG2 4.15Å; Q123-V154 HydrophobicContact CB-CB 4.18Å; Q123-V154 HydrophobicContact CB-CG2 4.39Å; I124-V154 HydrophobicContact CD1-CG1 4.35Å; I124-V154 HydrophobicContact CG1-CB 4.25Å; I124-V154 HydrophobicContact CG1-CG1 3.66Å; I124-V154 HydrophobicContact CG1-CG2 4.3Å; L146-V154 HydrophobicContact CB-CG1 4.11Å; L146-V154 HydrophobicContact CD2-CG1 3.94Å; L146-V154 HydrophobicContact CG-CG1 4.45Å; L147-V154 CarbonylContact O-C 3.44Å; L147-V154 WeakPolarHBondContact O-CA 3.36Å; L148-V154 HydrophobicContact CD2-CG2 4.14Å
155K95.4Very high87.9Confident12 Ų1222.8 Ų22.85%0.05213%0.125CC..EExtended strand (participates in β ladder)trans-133.2110.4176.8-66.2-82.2-172.2169.30108.8P75 I78 E95 V97 L147 A157P75-K155 VanDerWaalsContact O-CD 3.28Å; P75-K155 WeakPolarHBondContact O-CD 3.32Å; P75-K155 WeakPolarHBondContact O-CE 3.5Å; P75-K155 PolarHBondContact O-NZ 2.96Å; I78-K155 HydrophobicContact CD1-CB 3.68Å; I78-K155 HydrophobicContact CD1-CD 4.4Å; I78-K155 HydrophobicContact CD1-CG 4.3Å; I78-K155 HydrophobicContact CG1-CB 4.07Å; E95-K155 VanDerWaalsContact OE1-CE 3.23Å; E95-K155 WeakPolarHBondContact OE1-CE 3.33Å; E95-K155 IonicContact OE1-NZ 2.86Å; E95-K155 PolarHBondContact OE1-NZ 3.49Å; E95-K155 IonicContact OE2-NZ 3.41Å; E95-K155 PolarHBondContact OE2-NZ 2.86Å; V97-K155 HydrophobicContact CG1-CB 4.37Å; V97-K155 HydrophobicContact CG1-CD 4.45Å; V97-K155 HydrophobicContact CG1-CG 3.91Å; L147-K155 HydrophobicContact CB-CB 4.37Å; L147-K155 PolarHBondContact N-O 3.38Å; L147-K155 PolarHBondContact O-N 3.4Å; K155-A157 PolarHBondContact O-N 3.11Å
156I95.7Very high87.1Confident1 Ų125.5 Ų25.51%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-69125.7175.7-58.7170000108.7H76 I78 V128 L141 L146 F159H76-I156 WeakPolarHBondContact O-CG1 3.33Å; H76-I156 PolarHBondContact O-N 3.42Å; I78-I156 WeakPolarHBondContact CG1-O 3.17Å; I78-I156 PolarHBondContact N-O 2.75Å; V128-I156 HydrophobicContact CG2-CD1 3.86Å; L141-I156 HydrophobicContact CD2-CG2 4.09Å; L146-I156 HydrophobicContact CD2-CB 4.42Å; L146-I156 HydrophobicContact CD2-CG1 3.77Å; I156-F159 HydrophobicContact CG2-CE2 4.16Å; I156-F159 HydrophobicContact CG2-CZ 4.03Å
157A91.6Very high85.9Confident14 Ų1431.9 Ų31.912%0.11618%0.177CC..  trans-121.4168.9-179.400000111.3I78 H138 N145 L147 K155I78-A157 HydrophobicContact CG1-CB 3.89Å; H138-A157 PolarHBondContact NE2-O 2.89Å; H138-A157 VanDerWaalsContact NE2-O 3.09Å; N145-A157 PolarHBondContact O-N 3.36Å; L147-A157 HydrophobicContact CD1-CB 3.83Å; L147-A157 HydrophobicContact CG-CB 3.98Å; K155-A157 PolarHBondContact O-N 3.11Å
158D84.5Confident84.7Confident56 Ų5632.9 Ų32.930%0.29920%0.197SC..  trans5780.5173.7-157.46.7000117.5K46 H138 G160K46-D158 IonicContact NZ-OD1 3.85Å; K46-D158 PolarHBondContact NZ-OD1 2.92Å; H138-D158 PolarHBondContact CE1-O 2.97Å; H138-D158 VanDerWaalsContact CE1-O 3.29Å; H138-D158 PolarHBondContact NE2-O 2.86Å; D158-G160 PolarHBondContact O-N 2.76Å; D158-G160 PolarHBondContact OD1-N 2.92Å
159F83Confident83.9Confident2 Ų238.1 Ų38.11%0.00922%0.221CC..G310 helixtrans-84.717.8174.3-71.9-100.4000113.1E65 L69 F72 I77 V136 H138 I156 L161 S162E65-F159 HydrophobicContact CG-CB 4.15Å; L69-F159 HydrophobicContact CD2-CD2 3.56Å; L69-F159 HydrophobicContact CD2-CE2 3.92Å; L69-F159 HydrophobicContact CD2-CG 4.24Å; L69-F159 HydrophobicContact CG-CD2 4.32Å; F72-F159 HydrophobicContact CD2-CE1 4.22Å; F72-F159 HydrophobicContact CD2-CZ 4.14Å; F72-F159 AromaticContact CE2-CD1 3.93Å; F72-F159 HydrophobicContact CE2-CD1 3.93Å; F72-F159 AromaticContact CE2-CE1 3.48Å; F72-F159 HydrophobicContact CE2-CE1 3.48Å; F72-F159 VanDerWaalsContact CE2-CE1 3.48Å; F72-F159 AromaticContact CE2-CZ 3.86Å; F72-F159 HydrophobicContact CE2-CZ 3.86Å; F72-F159 HydrophobicContact CZ-CE1 4.36Å; I77-F159 HydrophobicContact CG2-CE2 3.69Å; I77-F159 HydrophobicContact CG2-CZ 3.72Å; V136-F159 HydrophobicContact CG1-CD1 4.49Å; H138-F159 AromaticContact CD2-CD1 3.72Å; H138-F159 AromaticContact CD2-CE1 3.56Å; H138-F159 AromaticContact CD2-CZ 3.83Å; I156-F159 HydrophobicContact CG2-CE2 4.16Å; I156-F159 HydrophobicContact CG2-CZ 4.03Å; F159-L161 PolarHBondContact O-N 3.24Å; F159-L161 VanDerWaalsContact O-N 3.13Å; F159-S162 VanDerWaalsContact O-CB 3.23Å; F159-S162 WeakPolarHBondContact O-CB 3.29Å; F159-S162 PolarHBondContact O-N 3.3Å; F159-S162 PolarHBondContact O-OG 2.94Å
160G74.7Confident83.4Confident6 Ų642.9 Ų42.96%0.06224%0.241CC..G310 helixtrans-62-21.7-175.900000114.8D158D158-G160 PolarHBondContact O-N 2.76Å; D158-G160 PolarHBondContact OD1-N 2.92Å
161L73.5Confident83.1Confident47 Ų4740.9 Ų40.925%0.24623%0.226CC..G310 helixtrans-105.23.6174-64.8179.6000113.6H138 R139 D140 F159 C175H138-L161 CarbonylContact O-C 3.49Å; R139-L161 PolarHBondContact NE-O 3.24Å; R139-L161 PolarHBondContact NH2-O 3.49Å; D140-L161 HydrophobicContact CB-CB 4.14Å; D140-L161 HydrophobicContact CB-CD1 3.77Å; D140-L161 HydrophobicContact CB-CG 4.44Å; F159-L161 PolarHBondContact O-N 3.24Å; F159-L161 VanDerWaalsContact O-N 3.13Å; L161-C175 HydrophobicContact CD1-CB 4.32Å; L161-C175 HydrophobicContact CD2-CB 4.5Å
162S79Confident82.8Confident6 Ų648.7 Ų48.74%0.04226%0.255CS..  trans-65.5159.1-179.5680000113.1N68 V137 H138 F159N68-S162 PolarHBondContact ND2-OG 3.13Å; V137-S162 CarbonylContact O-C 3.59Å; V137-S162 WeakPolarHBondContact O-CA 3.39Å; V137-S162 VanDerWaalsContact O-CB 3.24Å; V137-S162 WeakPolarHBondContact O-CB 3.33Å; H138-S162 WeakPolarHBondContact O-CA 3.4Å; H138-S162 PolarHBondContact O-N 3.44Å; F159-S162 VanDerWaalsContact O-CB 3.23Å; F159-S162 WeakPolarHBondContact O-CB 3.29Å; F159-S162 PolarHBondContact O-N 3.3Å; F159-S162 PolarHBondContact O-OG 2.94Å
163N81.9Confident82.3Confident24 Ų2450.5 Ų50.513%0.12827%0.268CS..EExtended strand (participates in β ladder)trans-143.4155172.7-151.22.3000112.2R64 V136 V137 L171R64-N163 PolarHBondContact NE-OD1 3.43Å; R64-N163 PolarHBondContact NH1-OD1 3.05Å; V136-N163 WeakPolarHBondContact CA-O 3.45Å; V137-N163 HydrophobicContact CG2-CB 4.38Å; V137-N163 PolarHBondContact N-O 3.29Å; V137-N163 PolarHBondContact O-N 2.83Å; N163-L171 HydrophobicContact CB-CD1 4.33Å; N163-L171 HydrophobicContact CB-CD2 4.41Å; N163-L171 WeakPolarHBondContact ND2-CD2 3.38Å
164F81.4Confident81.5Confident60 Ų6052.8 Ų52.826%0.26329%0.286SS..EExtended strand (participates in β ladder)trans-75.3139.3168.1-70.1-68.1000109.8R64 Q67 N68 M135 V136R64-F164 HydrophobicContact CG-CD2 3.86Å; R64-F164 HydrophobicContact CG-CE2 3.68Å; Q67-F164 HydrophobicContact CB-CZ 4.31Å; N68-F164 WeakPolarHBondContact OD1-CE1 3.3Å; N68-F164 WeakPolarHBondContact OD1-CE2 3.32Å; N68-F164 WeakPolarHBondContact OD1-CZ 3.48Å; M135-F164 CarbonylContact O-C 3.46Å; M135-F164 VanDerWaalsContact O-CA 3.27Å; M135-F164 WeakPolarHBondContact O-CA 3.19Å; V136-F164 HydrophobicContact CG2-CD1 3.77Å; V136-F164 HydrophobicContact CG2-CE1 3.83Å
165L78.6Confident80.8Confident29 Ų2953.9 Ų53.915%0.15229%0.293CS..  trans-78.8129.7163.8-61178.2000107.6M135 V137 A192 P194M135-L165 HydrophobicContact CB-CB 4.11Å; M135-L165 HydrophobicContact CE-CB 3.7Å; M135-L165 PolarHBondContact O-N 3.17Å; M135-L165 HydrophobicContact SD-CB 4.3Å; M135-L165 HydrophobicContact SD-CD1 4.47Å; V137-L165 HydrophobicContact CB-CD2 4.48Å; V137-L165 HydrophobicContact CG1-CD1 3.95Å; V137-L165 HydrophobicContact CG1-CD2 3.66Å; V137-L165 HydrophobicContact CG1-CG 3.93Å; V137-L165 HydrophobicContact CG2-CD2 3.99Å; L165-A192 WeakPolarHBondContact CD2-O 3.39Å; L165-P194 HydrophobicContact CD1-CG 3.83Å
166T76.3Confident80Confident74 Ų7454.8 Ų54.845%0.45431%0.306SS..  trans-120.4132.8174.5-60.30000107.5G168 E169T166-G168 PolarHBondContact O-N 3.26Å; T166-E169 HydrophobicContact CG2-CG 3.92Å; T166-E169 PolarHBondContact O-N 3.48Å
167D68.8Low79.7Confident133 Ų13356.1 Ų56.171%0.71132%0.316SS*.THydrogen-bonded Turntrans-57.6128.1-173.7-66.5-26.6000111.5M135 E169 K467M135-D167 WeakPolarHBondContact CE-OD1 3.22Å; D167-E169 PolarHBondContact O-N 3.02Å; D167-K467 PolarHBondContact O-NZ 2.98Å
168G69.5Low79.7Confident61 Ų6157.8 Ų57.863%0.62933%0.325SS*.THydrogen-bonded Turntrans66.412.7-176.400000115.2T166 K467T166-G168 PolarHBondContact O-N 3.26Å; G168-K467 WeakPolarHBondContact O-CE 3.47Å; G168-K467 PolarHBondContact O-NZ 3.05Å
169E77.6Confident80.3Confident112 Ų11256.4 Ų56.452%0.52332%0.318SS..PPolyproline II helixtrans-100.8140.9169.5-64.5-163.4166.600111T166 D167 K467T166-E169 HydrophobicContact CG2-CG 3.92Å; T166-E169 PolarHBondContact O-N 3.48Å; D167-E169 PolarHBondContact O-N 3.02Å; E169-K467 IonicContact OE1-NZ 3.01Å
170F81.2Confident80.9Confident114 Ų11456.9 Ų56.950%0.532%0.319SS..PPolyproline II helixtrans-103.4148.2171.4-65.2-83.6000110.6L190F170-L190 HydrophobicContact CB-CB 3.82Å; F170-L190 HydrophobicContact CB-CD1 4.31Å; F170-L190 HydrophobicContact CB-CD2 4.05Å; F170-L190 HydrophobicContact CB-CG 4.28Å; F170-L190 HydrophobicContact CD1-CB 4.49Å; F170-L190 HydrophobicContact CG-CB 4.2Å
171L82.8Confident81.9Confident19 Ų1956.9 Ų56.910%0.09932%0.319CS..BIsolated β-bridgetrans-89.5145.8170.8-58.3-179.6000109.7V137 N163 L190 Y191V137-L171 HydrophobicContact CG2-CD1 3.72Å; N163-L171 HydrophobicContact CB-CD1 4.33Å; N163-L171 HydrophobicContact CB-CD2 4.41Å; N163-L171 WeakPolarHBondContact ND2-CD2 3.38Å; L171-L190 WeakPolarHBondContact O-CA 3.42Å; L171-Y191 HydrophobicContact CB-CD1 4.48Å; L171-Y191 HydrophobicContact CB-CD2 3.95Å; L171-Y191 HydrophobicContact CB-CE1 4.06Å; L171-Y191 HydrophobicContact CB-CE2 3.51Å; L171-Y191 HydrophobicContact CB-CG 4.42Å; L171-Y191 HydrophobicContact CD1-CE2 3.86Å; L171-Y191 HydrophobicContact CG-CE2 4.29Å; L171-Y191 PolarHBondContact N-O 3.06Å; L171-Y191 VanDerWaalsContact O-CD1 3.26Å; L171-Y191 WeakPolarHBondContact O-CD1 3.16Å; L171-Y191 WeakPolarHBondContact O-CE1 3.26Å; L171-Y191 PolarHBondContact O-N 3.12Å
172R82.5Confident83.1Confident181 Ų18154.7 Ų54.768%0.68331%0.308SS*.  trans-124.1-18.1178.7-164.4176.7167.5-165.9-3.9114S174 L190R172-S174 PolarHBondContact O-N 3.24Å; R172-S174 VanDerWaalsContact O-N 3.08Å; R172-L190 HydrophobicContact CB-CD2 3.62Å; R172-L190 HydrophobicContact CG-CD2 3.85Å
173T79.6Confident83.9Confident83 Ų8354.7 Ų54.751%0.50931%0.308SS..  trans-68.1111.2-168.5-47.60000111.2C175 Y191T173-C175 HydrophobicContact CG2-CB 4.44Å; T173-C175 PolarHBondContact O-N 3.46Å; T173-C175 VanDerWaalsContact O-N 3.11Å; T173-C175 PolarHBondContact O-SG 3.28Å; T173-Y191 PolarHBondContact O-OH 3.46Å
174S78.7Confident84.6Confident74 Ų7454.1 Ų54.152%0.51730%0.304SS..  trans-62.6111.4166.5-570000109.3R172 V185R172-S174 PolarHBondContact O-N 3.24Å; R172-S174 VanDerWaalsContact O-N 3.08Å; S174-V185 PolarHBondContact OG-O 3.34Å
175C80.3Confident85.2Confident23 Ų2351.4 Ų51.416%0.15529%0.293CS..  trans-147.1166.2-178.355.40000110.2L161 T173L161-C175 HydrophobicContact CD1-CB 4.32Å; L161-C175 HydrophobicContact CD2-CB 4.5Å; T173-C175 HydrophobicContact CG2-CB 4.44Å; T173-C175 PolarHBondContact O-N 3.46Å; T173-C175 VanDerWaalsContact O-N 3.11Å; T173-C175 PolarHBondContact O-SG 3.28Å
176G79.1Confident86Confident31 Ų3151.2 Ų51.232%0.3229%0.292SS..SBendtrans91.1172.6-176.200000113.6D140D140-G176 WeakPolarHBondContact OD1-CA 3.42Å
177S88.2Confident86.7Confident30 Ų3049.5 Ų49.521%0.2128%0.283CS..  trans-73.9133.3175.6176.70000111.2N179 Y180 A181S177-N179 VanDerWaalsContact C-N 3.29Å; S177-N179 PolarHBondContact O-N 3.17Å; S177-N179 VanDerWaalsContact O-N 3.14Å; S177-Y180 PolarHBondContact O-N 2.97Å; S177-Y180 VanDerWaalsContact O-N 3.07Å; S177-A181 PolarHBondContact O-N 3.17Å; S177-A181 VanDerWaalsContact O-N 3.11Å
178P93.1Very high87.7Confident49 Ų4944.5 Ų44.532%0.31826%0.262SS..THydrogen-bonded Turntrans-46-43.7-178.3-35.739.7000115.7Y180 A181 L223 F224 I227P178-Y180 VanDerWaalsContact C-N 3.25Å; P178-Y180 PolarHBondContact O-N 3Å; P178-A181 PolarHBondContact O-N 3.01Å; P178-L223 HydrophobicContact CB-CD2 3.75Å; P178-F224 HydrophobicContact CB-CE1 4.1Å; P178-I227 WeakPolarHBondContact O-CD1 3.43Å
179N95.5Very high88.7Confident26 Ų2647 Ų4714%0.13926%0.257CS..THydrogen-bonded Turntrans-68.6-23-174.9-60.977.2000113.8S177 L213 F215 D216S177-N179 VanDerWaalsContact C-N 3.29Å; S177-N179 PolarHBondContact O-N 3.17Å; S177-N179 VanDerWaalsContact O-N 3.14Å; N179-L213 HydrophobicContact CB-CD1 3.94Å; N179-F215 PolarHBondContact ND2-O 2.87Å; N179-F215 VanDerWaalsContact ND2-O 3.08Å; N179-D216 PolarHBondContact ND2-OD1 3.21Å
180Y96.8Very high89.2Confident12 Ų1245.3 Ų45.35%0.04725%0.251CS..THydrogen-bonded Turntrans-104.9-10.8-179.5-56.9-87.6000112.2K142 P143 S177 P178 W199 S200 V203 I204 L213K142-Y180 HydrophobicContact CB-CD1 4.19Å; K142-Y180 HydrophobicContact CB-CD2 3.74Å; K142-Y180 HydrophobicContact CB-CE1 4.29Å; K142-Y180 HydrophobicContact CB-CE2 3.82Å; K142-Y180 HydrophobicContact CB-CG 3.92Å; P143-Y180 WeakPolarHBondContact CD-OH 3.47Å; P143-Y180 HydrophobicContact CG-CE1 4.12Å; P143-Y180 WeakPolarHBondContact CG-OH 3.44Å; S177-Y180 PolarHBondContact O-N 2.97Å; S177-Y180 VanDerWaalsContact O-N 3.07Å; P178-Y180 VanDerWaalsContact C-N 3.25Å; P178-Y180 PolarHBondContact O-N 3Å; Y180-W199 VanDerWaalsContact O-CD1 3.29Å; Y180-S200 PolarHBondContact O-OG 3.48Å; Y180-V203 HydrophobicContact CD1-CB 3.97Å; Y180-V203 HydrophobicContact CD1-CG1 3.42Å; Y180-V203 VanDerWaalsContact CD1-CG1 3.42Å; Y180-V203 HydrophobicContact CE1-CG1 3.66Å; Y180-V203 HydrophobicContact CG-CG1 4.27Å; Y180-I204 HydrophobicContact CD1-CG1 4.25Å; Y180-I204 HydrophobicContact CE1-CG1 4.23Å; Y180-L213 HydrophobicContact CE1-CD2 3.97Å
181A96.5Very high89.7Confident7 Ų740 Ų406%0.05823%0.228CC..SBendtrans-75.4138-177.900000112.3S177 P178 V185 I186 W199S177-A181 PolarHBondContact O-N 3.17Å; S177-A181 VanDerWaalsContact O-N 3.11Å; P178-A181 PolarHBondContact O-N 3.01Å; A181-V185 HydrophobicContact CB-CB 4.46Å; A181-V185 HydrophobicContact CB-CG1 4.34Å; A181-I186 HydrophobicContact CB-CG2 3.72Å; A181-W199 PolarHBondContact O-NE1 3Å
182A97.1Very high90Very high0 Ų041.1 Ų41.10%024%0.24CC..  trans-68.1155.2178.100000112.7E184 V185 I186 V196 W199A182-E184 VanDerWaalsContact C-N 3.26Å; A182-E184 HydrophobicContact CB-CG 4.39Å; A182-E184 PolarHBondContact O-N 3.28Å; A182-V185 HydrophobicContact CB-CG2 4.2Å; A182-V185 WeakPolarHBondContact O-CB 3.32Å; A182-V185 PolarHBondContact O-N 3.43Å; A182-I186 PolarHBondContact O-N 3.15Å; A182-V196 HydrophobicContact CB-CB 4.4Å; A182-V196 HydrophobicContact CB-CG1 4.19Å; A182-V196 HydrophobicContact CB-CG2 4.17Å; A182-W199 HydrophobicContact CB-CB 3.81Å; A182-W199 HydrophobicContact CB-CD2 4.21Å; A182-W199 HydrophobicContact CB-CG 3.74Å
183P97.1Very high90.4Very high7 Ų732.5 Ų32.55%0.04521%0.207CC..Hα-helixtrans-53.7-38.1-178.8-28.335.8000114.5I186 S187 W199 I227 V252P183-I186 VanDerWaalsContact O-CG1 3.26Å; P183-I186 WeakPolarHBondContact O-CG1 3.44Å; P183-S187 VanDerWaalsContact O-CB 3.25Å; P183-S187 WeakPolarHBondContact O-CB 3.45Å; P183-S187 PolarHBondContact O-N 2.92Å; P183-S187 VanDerWaalsContact O-N 3.11Å; P183-S187 PolarHBondContact O-OG 3.41Å; P183-W199 HydrophobicContact CG-CE3 4.29Å; P183-W199 HydrophobicContact CG-CH2 3.53Å; P183-W199 HydrophobicContact CG-CZ2 3.92Å; P183-W199 HydrophobicContact CG-CZ3 3.73Å; P183-I227 HydrophobicContact CB-CG2 4.42Å; P183-I227 HydrophobicContact CG-CG2 3.96Å; P183-V252 HydrophobicContact CB-CG1 4.08Å; P183-V252 HydrophobicContact CG-CB 4.5Å; P183-V252 HydrophobicContact CG-CG1 4.1Å; P183-V252 HydrophobicContact CG-CG2 4.49Å
184E95.2Very high91.1Very high11 Ų1130.3 Ų30.35%0.05119%0.194CC..Hα-helixtrans-69-33.5177.560.5-87-156.100112.7A182 S187 G188 H189 V196 R257A182-E184 VanDerWaalsContact C-N 3.26Å; A182-E184 HydrophobicContact CB-CG 4.39Å; A182-E184 PolarHBondContact O-N 3.28Å; E184-S187 PolarHBondContact O-N 2.99Å; E184-G188 PolarHBondContact O-N 3.49Å; E184-G188 VanDerWaalsContact O-N 3.14Å; E184-H189 HydrophobicContact CB-CB 4.11Å; E184-H189 PolarHBondContact O-N 3.47Å; E184-V196 HydrophobicContact CG-CG2 4.37Å; E184-R257 IonicContact OE1-CZ 3.1Å; E184-R257 IonicContact OE1-NH1 2.66Å; E184-R257 PolarHBondContact OE1-NH1 3.18Å; E184-R257 IonicContact OE1-NH2 3.21Å; E184-R257 PolarHBondContact OE1-NH2 3.08Å; E184-R257 IonicContact OE2-CZ 2.62Å; E184-R257 IonicContact OE2-NH1 3.95Å; E184-R257 IonicContact OE2-NH2 3.95Å; E184-R257 PolarHBondContact OE2-NH2 3.5Å
185V94.9Very high91.9Very high4 Ų428.3 Ų28.32%0.02418%0.177CC..Hα-helixtrans-70.1-46.9177.9179.90000110.8S174 A181 A182 S187 G188 Y191 V196S174-V185 PolarHBondContact OG-O 3.34Å; A181-V185 HydrophobicContact CB-CB 4.46Å; A181-V185 HydrophobicContact CB-CG1 4.34Å; A182-V185 HydrophobicContact CB-CG2 4.2Å; A182-V185 WeakPolarHBondContact O-CB 3.32Å; A182-V185 PolarHBondContact O-N 3.43Å; V185-S187 PolarHBondContact O-N 2.99Å; V185-G188 PolarHBondContact O-N 2.96Å; V185-G188 VanDerWaalsContact O-N 3.16Å; V185-Y191 HydrophobicContact CG2-CD1 4.25Å; V185-Y191 HydrophobicContact CG2-CE1 4.08Å; V185-V196 HydrophobicContact CG2-CB 4.27Å; V185-V196 HydrophobicContact CG2-CG1 3.58Å; V185-V196 HydrophobicContact CG2-CG2 3.61Å
186I94.4Very high92.7Very high25 Ų2527.4 Ų27.413%0.12817%0.17CC..Hα-helixtrans-72.1-15.9177.964.8163000112.9A181 A182 P183 F224 I227 K228A181-I186 HydrophobicContact CB-CG2 3.72Å; A182-I186 PolarHBondContact O-N 3.15Å; P183-I186 VanDerWaalsContact O-CG1 3.26Å; P183-I186 WeakPolarHBondContact O-CG1 3.44Å; I186-F224 HydrophobicContact CB-CD1 4.3Å; I186-F224 HydrophobicContact CB-CE1 4.17Å; I186-F224 HydrophobicContact CB-CZ 4.33Å; I186-F224 HydrophobicContact CD1-CB 4.05Å; I186-F224 HydrophobicContact CD1-CD1 3.94Å; I186-F224 HydrophobicContact CD1-CG 4.03Å; I186-F224 HydrophobicContact CG2-CD1 4.34Å; I186-F224 HydrophobicContact CG2-CE1 3.96Å; I186-F224 HydrophobicContact CG2-CZ 4.38Å; I186-I227 HydrophobicContact CD1-CB 3.66Å; I186-I227 HydrophobicContact CD1-CD1 4.14Å; I186-I227 HydrophobicContact CD1-CG2 3.47Å; I186-I227 VanDerWaalsContact CD1-CG2 3.47Å; I186-I227 HydrophobicContact CG1-CG2 4.27Å; I186-K228 HydrophobicContact CD1-CG 3.93Å
187S92.6Very high93.6Very high38 Ų3825.9 Ų25.927%0.26616%0.155SC..THydrogen-bonded Turntrans-91.4-7.9173.5-57.50000112.9P183 E184 V185 H189 K228P183-S187 VanDerWaalsContact O-CB 3.25Å; P183-S187 WeakPolarHBondContact O-CB 3.45Å; P183-S187 PolarHBondContact O-N 2.92Å; P183-S187 VanDerWaalsContact O-N 3.11Å; P183-S187 PolarHBondContact O-OG 3.41Å; E184-S187 PolarHBondContact O-N 2.99Å; V185-S187 PolarHBondContact O-N 2.99Å; S187-H189 VanDerWaalsContact CB-CE1 3.5Å; S187-H189 WeakPolarHBondContact CB-CE1 3.5Å; S187-H189 WeakPolarHBondContact CB-ND1 3.29Å; S187-H189 PolarHBondContact O-N 3.33Å; S187-K228 WeakPolarHBondContact OG-CE 3.24Å; S187-K228 PolarHBondContact OG-NZ 3.4Å; S187-K228 VanDerWaalsContact OG-NZ 3.16Å
188G90Very high94.1Very high27 Ų2724.7 Ų24.728%0.27815%0.146SC..THydrogen-bonded Turntrans69.620.5-17700000113.8E184 V185E184-G188 PolarHBondContact O-N 3.49Å; E184-G188 VanDerWaalsContact O-N 3.14Å; V185-G188 PolarHBondContact O-N 2.96Å; V185-G188 VanDerWaalsContact O-N 3.16Å
189H90.3Very high94.4Very high115 Ų11522.4 Ų22.453%0.53213%0.131SC..  trans-74.6160.9174.9-64.3142.5000110.8E184 S187 Y191E184-H189 HydrophobicContact CB-CB 4.11Å; E184-H189 PolarHBondContact O-N 3.47Å; S187-H189 VanDerWaalsContact CB-CE1 3.5Å; S187-H189 WeakPolarHBondContact CB-CE1 3.5Å; S187-H189 WeakPolarHBondContact CB-ND1 3.29Å; S187-H189 PolarHBondContact O-N 3.33Å; H189-Y191 WeakPolarHBondContact O-CD1 3.43Å
190L88Confident94.5Very high75 Ų7521.3 Ų21.339%0.39313%0.126SC..  trans-73.3143.1170.8-67.6176.8000110.4F170 L171 R172 Y455F170-L190 HydrophobicContact CB-CB 3.82Å; F170-L190 HydrophobicContact CB-CD1 4.31Å; F170-L190 HydrophobicContact CB-CD2 4.05Å; F170-L190 HydrophobicContact CB-CG 4.28Å; F170-L190 HydrophobicContact CD1-CB 4.49Å; F170-L190 HydrophobicContact CG-CB 4.2Å; L171-L190 WeakPolarHBondContact O-CA 3.42Å; R172-L190 HydrophobicContact CB-CD2 3.62Å; R172-L190 HydrophobicContact CG-CD2 3.85Å; L190-Y455 HydrophobicContact CD1-CE1 3.64Å
191Y90.8Very high94.6Very high4 Ų420.8 Ų20.82%0.01612%0.124CC..BIsolated β-bridgetrans-145.3153-179.760.5-89.3000110.5R139 L171 T173 V185 H189 E195 V196R139-Y191 PolarHBondContact NH1-OH 3.15Å; L171-Y191 HydrophobicContact CB-CD1 4.48Å; L171-Y191 HydrophobicContact CB-CD2 3.95Å; L171-Y191 HydrophobicContact CB-CE1 4.06Å; L171-Y191 HydrophobicContact CB-CE2 3.51Å; L171-Y191 HydrophobicContact CB-CG 4.42Å; L171-Y191 HydrophobicContact CD1-CE2 3.86Å; L171-Y191 HydrophobicContact CG-CE2 4.29Å; L171-Y191 PolarHBondContact N-O 3.06Å; L171-Y191 VanDerWaalsContact O-CD1 3.26Å; L171-Y191 WeakPolarHBondContact O-CD1 3.16Å; L171-Y191 WeakPolarHBondContact O-CE1 3.26Å; L171-Y191 PolarHBondContact O-N 3.12Å; T173-Y191 PolarHBondContact O-OH 3.46Å; V185-Y191 HydrophobicContact CG2-CD1 4.25Å; V185-Y191 HydrophobicContact CG2-CE1 4.08Å; H189-Y191 WeakPolarHBondContact O-CD1 3.43Å; Y191-E195 WeakPolarHBondContact CB-OE1 3.23Å; Y191-V196 HydrophobicContact CD2-CB 4.44Å; Y191-V196 HydrophobicContact CD2-CG2 3.46Å; Y191-V196 VanDerWaalsContact CD2-CG2 3.46Å; Y191-V196 HydrophobicContact CE2-CG2 3.9Å; Y191-V196 HydrophobicContact CG-CG2 3.87Å
192A88.5Confident94.7Very high41 Ų4120.5 Ų20.534%0.33912%0.121SC..  trans-74.5-44.1179.500000110.4L165 E195L165-A192 WeakPolarHBondContact CD2-O 3.39Å; A192-E195 PolarHBondContact N-OE1 3.31Å
193G91.8Very high94.7Very high0 Ų020.5 Ų20.50%012%0.121CC..SBendtrans135.5-57.6173.800000113.7E195 V196 D197G193-E195 VanDerWaalsContact C-N 3.26Å; G193-E195 VanDerWaalsContact C-OE2 3.28Å; G193-E195 PolarHBondContact N-OE1 2.95Å; G193-E195 PolarHBondContact N-OE2 3.41Å; G193-E195 PolarHBondContact O-N 3.32Å; G193-V196 WeakPolarHBondContact O-CB 3.46Å; G193-V196 PolarHBondContact O-N 2.91Å; G193-D197 PolarHBondContact O-N 3.09Å
194P94.4Very high94.7Very high37 Ų3720.1 Ų20.124%0.2412%0.119CC..Hα-helixtrans-54.9-38.9-175.6-30.638.5000114.3H132 V137 L165 V196 D197 I198H132-P194 VanDerWaalsContact CE1-CA 3.5Å; H132-P194 WeakPolarHBondContact CE1-CA 3.35Å; V137-P194 HydrophobicContact CG1-CG 4.17Å; L165-P194 HydrophobicContact CD1-CG 3.83Å; P194-V196 PolarHBondContact O-N 3.28Å; P194-D197 PolarHBondContact O-N 3.45Å; P194-I198 WeakPolarHBondContact O-CG1 3.44Å; P194-I198 PolarHBondContact O-N 3.25Å
195E96.3Very high94.8Very high32 Ų3219.6 Ų19.615%0.1512%0.117CC..Hα-helixtrans-63.6-26.5178.871.6-81.1-160.200113.2Y191 A192 G193 W199 P254 R257Y191-E195 WeakPolarHBondContact CB-OE1 3.23Å; A192-E195 PolarHBondContact N-OE1 3.31Å; G193-E195 VanDerWaalsContact C-N 3.26Å; G193-E195 VanDerWaalsContact C-OE2 3.28Å; G193-E195 PolarHBondContact N-OE1 2.95Å; G193-E195 PolarHBondContact N-OE2 3.41Å; G193-E195 PolarHBondContact O-N 3.32Å; E195-W199 PolarHBondContact O-N 3.43Å; E195-W199 VanDerWaalsContact O-N 3.15Å; E195-P254 HydrophobicContact CB-CB 4.5Å; E195-P254 HydrophobicContact CG-CB 3.91Å; E195-R257 WeakPolarHBondContact O-CD 3.42Å; E195-R257 PolarHBondContact O-NH1 3.34Å
196V96.9Very high94.9Very high4 Ų420 Ų202%0.02412%0.118CC..Hα-helixtrans-75.2-42.9176.4174.40000110.4A182 E184 V185 Y191 G193 P194 I198 W199 S200A182-V196 HydrophobicContact CB-CB 4.4Å; A182-V196 HydrophobicContact CB-CG1 4.19Å; A182-V196 HydrophobicContact CB-CG2 4.17Å; E184-V196 HydrophobicContact CG-CG2 4.37Å; V185-V196 HydrophobicContact CG2-CB 4.27Å; V185-V196 HydrophobicContact CG2-CG1 3.58Å; V185-V196 HydrophobicContact CG2-CG2 3.61Å; Y191-V196 HydrophobicContact CD2-CB 4.44Å; Y191-V196 HydrophobicContact CD2-CG2 3.46Å; Y191-V196 VanDerWaalsContact CD2-CG2 3.46Å; Y191-V196 HydrophobicContact CE2-CG2 3.9Å; Y191-V196 HydrophobicContact CG-CG2 3.87Å; G193-V196 WeakPolarHBondContact O-CB 3.46Å; G193-V196 PolarHBondContact O-N 2.91Å; P194-V196 PolarHBondContact O-N 3.28Å; V196-I198 VanDerWaalsContact C-N 3.27Å; V196-I198 PolarHBondContact O-N 3.46Å; V196-W199 PolarHBondContact O-N 3.29Å; V196-S200 PolarHBondContact O-N 2.9Å; V196-S200 VanDerWaalsContact O-N 3.13Å; V196-S200 PolarHBondContact O-OG 3.24Å
197D97.8Very high94.9Very high0 Ų019.1 Ų19.10%011%0.114CC..Hα-helixtrans-62.8-38.2174.4-77.1-17.1000110.8V128 H132 V137 H138 R139 L141 G193 P194 W199 S200 C201V128-D197 HydrophobicContact CG1-CB 4.05Å; H132-D197 IonicContact CD2-OD2 2.9Å; H132-D197 IonicContact CE1-OD2 2.94Å; H132-D197 IonicContact NE2-OD2 3.93Å; H132-D197 PolarHBondContact NE2-OD2 2.82Å; V137-D197 WeakPolarHBondContact CA-OD2 3.3Å; H138-D197 PolarHBondContact N-OD2 3.41Å; R139-D197 WeakPolarHBondContact CA-OD1 3.31Å; R139-D197 PolarHBondContact N-OD1 2.83Å; L141-D197 HydrophobicContact CD1-CB 3.72Å; G193-D197 PolarHBondContact O-N 3.09Å; P194-D197 PolarHBondContact O-N 3.45Å; D197-W199 PolarHBondContact O-N 3.14Å; D197-S200 WeakPolarHBondContact O-CB 3.48Å; D197-S200 PolarHBondContact O-N 3.15Å; D197-C201 PolarHBondContact O-N 3.43Å; D197-C201 PolarHBondContact O-SG 2.89Å
198I98.5Very high95Very high5 Ų517.3 Ų17.33%0.02610%0.102CC..Hα-helixtrans-62-43.2175.6-70.5171.1000111.8P194 V196 S200 C201 G202 M249 R257 A258 M260 I263P194-I198 WeakPolarHBondContact O-CG1 3.44Å; P194-I198 PolarHBondContact O-N 3.25Å; V196-I198 VanDerWaalsContact C-N 3.27Å; V196-I198 PolarHBondContact O-N 3.46Å; I198-S200 VanDerWaalsContact C-N 3.35Å; I198-S200 PolarHBondContact O-N 2.99Å; I198-C201 WeakPolarHBondContact O-CB 3.48Å; I198-C201 PolarHBondContact O-N 3.22Å; I198-G202 PolarHBondContact O-N 2.96Å; I198-M249 HydrophobicContact CG2-CB 4.34Å; I198-M249 HydrophobicContact CG2-CE 4.19Å; I198-M249 HydrophobicContact CG2-CG 4.28Å; I198-M249 WeakPolarHBondContact O-CE 3.3Å; I198-R257 HydrophobicContact CG2-CG 4.34Å; I198-A258 VanDerWaalsContact CD1-O 3.23Å; I198-A258 WeakPolarHBondContact CD1-O 3.5Å; I198-A258 WeakPolarHBondContact CG2-O 3.4Å; I198-M260 HydrophobicContact CG1-CE 4.48Å; I198-I263 HydrophobicContact CD1-CD1 4.36Å; I198-I263 HydrophobicContact CG1-CD1 4.09Å; I198-I263 HydrophobicContact CG2-CD1 3.8Å
199W98.6Very high95.3Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-57.9-49.4174.9177.2-80.5000111Y180 A181 A182 P183 E195 V196 D197 C201 G202 V203 F215 I227 L250Y180-W199 VanDerWaalsContact O-CD1 3.29Å; A181-W199 PolarHBondContact O-NE1 3Å; A182-W199 HydrophobicContact CB-CB 3.81Å; A182-W199 HydrophobicContact CB-CD2 4.21Å; A182-W199 HydrophobicContact CB-CG 3.74Å; P183-W199 HydrophobicContact CG-CE3 4.29Å; P183-W199 HydrophobicContact CG-CH2 3.53Å; P183-W199 HydrophobicContact CG-CZ2 3.92Å; P183-W199 HydrophobicContact CG-CZ3 3.73Å; E195-W199 PolarHBondContact O-N 3.43Å; E195-W199 VanDerWaalsContact O-N 3.15Å; V196-W199 PolarHBondContact O-N 3.29Å; D197-W199 PolarHBondContact O-N 3.14Å; W199-C201 VanDerWaalsContact C-N 3.3Å; W199-C201 PolarHBondContact O-N 2.94Å; W199-G202 WeakPolarHBondContact O-CA 3.47Å; W199-G202 PolarHBondContact O-N 3.44Å; W199-V203 PolarHBondContact O-N 3.36Å; W199-F215 AromaticContact CH2-CE2 3.94Å; W199-F215 HydrophobicContact CH2-CE2 3.94Å; W199-F215 HydrophobicContact CH2-CZ 4.07Å; W199-F215 HydrophobicContact CZ2-CD2 4.04Å; W199-F215 AromaticContact CZ2-CE2 3.39Å; W199-F215 HydrophobicContact CZ2-CE2 3.39Å; W199-F215 AromaticContact CZ2-CZ 3.98Å; W199-F215 HydrophobicContact CZ2-CZ 3.98Å; W199-I227 HydrophobicContact CZ2-CG2 3.96Å; W199-L250 HydrophobicContact CD2-CD2 3.95Å; W199-L250 HydrophobicContact CE3-CD2 4.14Å; W199-L250 HydrophobicContact CG-CD2 4.36Å; W199-L250 HydrophobicContact CZ2-CD2 4.43Å; W199-L250 HydrophobicContact CZ3-CB 4.33Å; W199-L250 HydrophobicContact CZ3-CD2 4.48Å; W199-L250 VanDerWaalsContact CZ3-O 3.31Å; W199-L250 WeakPolarHBondContact CZ3-O 3.37Å
200S98.2Very high95.5Very high4 Ų411.4 Ų11.43%0.0287%0.068CC..Hα-helixtrans-56.4-44176.9-55.70000111.8L141 Y180 V196 D197 I198 G202 V203 I204L141-S200 WeakPolarHBondContact O-CB 3.48Å; Y180-S200 PolarHBondContact O-OG 3.48Å; V196-S200 PolarHBondContact O-N 2.9Å; V196-S200 VanDerWaalsContact O-N 3.13Å; V196-S200 PolarHBondContact O-OG 3.24Å; D197-S200 WeakPolarHBondContact O-CB 3.48Å; D197-S200 PolarHBondContact O-N 3.15Å; I198-S200 VanDerWaalsContact C-N 3.35Å; I198-S200 PolarHBondContact O-N 2.99Å; S200-G202 VanDerWaalsContact C-N 3.31Å; S200-G202 PolarHBondContact O-N 3.29Å; S200-V203 PolarHBondContact O-N 3.25Å; S200-I204 WeakPolarHBondContact O-CD1 3.15Å; S200-I204 VanDerWaalsContact O-CG1 3.3Å; S200-I204 WeakPolarHBondContact O-CG1 3.43Å; S200-I204 PolarHBondContact O-N 2.94Å
201C98.5Very high95.6Very high1 Ų19.5 Ų9.51%0.0077%0.067CC..Hα-helixtrans-59.9-38.8173.9-720000112.4F121 I125 D197 I198 W199 I204 L205 M249F121-C201 HydrophobicContact CE2-CB 4.08Å; F121-C201 WeakPolarHBondContact CE2-O 3.48Å; I125-C201 HydrophobicContact CD1-CB 3.96Å; D197-C201 PolarHBondContact O-N 3.43Å; D197-C201 PolarHBondContact O-SG 2.89Å; I198-C201 WeakPolarHBondContact O-CB 3.48Å; I198-C201 PolarHBondContact O-N 3.22Å; W199-C201 VanDerWaalsContact C-N 3.3Å; W199-C201 PolarHBondContact O-N 2.94Å; C201-I204 PolarHBondContact O-N 3.41Å; C201-L205 PolarHBondContact O-N 3.26Å; C201-M249 HydrophobicContact CB-CE 3.61Å
202G98.5Very high95.7Very high0 Ų013.3 Ų13.30%09%0.09CC..Hα-helixtrans-64.3-41.2176.800000112.2I198 W199 S200 L205 Y206 L246I198-G202 PolarHBondContact O-N 2.96Å; W199-G202 WeakPolarHBondContact O-CA 3.47Å; W199-G202 PolarHBondContact O-N 3.44Å; S200-G202 VanDerWaalsContact C-N 3.31Å; S200-G202 PolarHBondContact O-N 3.29Å; G202-L205 PolarHBondContact O-N 3.48Å; G202-Y206 PolarHBondContact O-N 2.77Å; G202-L246 WeakPolarHBondContact O-CD2 3.29Å
203V98Very high96Very high0 Ų013.6 Ų13.60%09%0.086CC..Hα-helixtrans-63.4-42.7173.7177.40000110.9Y180 W199 S200 Y206 A207 L213 P214 L250Y180-V203 HydrophobicContact CD1-CB 3.97Å; Y180-V203 HydrophobicContact CD1-CG1 3.42Å; Y180-V203 VanDerWaalsContact CD1-CG1 3.42Å; Y180-V203 HydrophobicContact CE1-CG1 3.66Å; Y180-V203 HydrophobicContact CG-CG1 4.27Å; W199-V203 PolarHBondContact O-N 3.36Å; S200-V203 PolarHBondContact O-N 3.25Å; V203-Y206 PolarHBondContact O-N 2.63Å; V203-A207 PolarHBondContact O-N 2.91Å; V203-L213 HydrophobicContact CG1-CD2 4.02Å; V203-P214 HydrophobicContact CB-CG 4.34Å; V203-P214 HydrophobicContact CG1-CG 4.01Å; V203-P214 HydrophobicContact CG2-CG 4.12Å; V203-L250 HydrophobicContact CG2-CD2 3.94Å
204I96.9Very high96.2Very high0 Ų014.2 Ų14.20%09%0.09CC..Hα-helixtrans-61.9-46.4176.5-69.9160000111.3I124 L141 P143 L146 Y180 S200 C201 Y206 A207 F208I124-I204 HydrophobicContact CD1-CG2 4.1Å; L141-I204 HydrophobicContact CB-CD1 4.17Å; P143-I204 HydrophobicContact CG-CG1 4.43Å; L146-I204 HydrophobicContact CD1-CD1 4.12Å; L146-I204 HydrophobicContact CD1-CG2 4.16Å; Y180-I204 HydrophobicContact CD1-CG1 4.25Å; Y180-I204 HydrophobicContact CE1-CG1 4.23Å; S200-I204 WeakPolarHBondContact O-CD1 3.15Å; S200-I204 VanDerWaalsContact O-CG1 3.3Å; S200-I204 WeakPolarHBondContact O-CG1 3.43Å; S200-I204 PolarHBondContact O-N 2.94Å; C201-I204 PolarHBondContact O-N 3.41Å; I204-Y206 VanDerWaalsContact C-N 3.32Å; I204-Y206 PolarHBondContact O-N 3.1Å; I204-A207 WeakPolarHBondContact O-CB 3.43Å; I204-A207 PolarHBondContact O-N 3.05Å; I204-A207 VanDerWaalsContact O-N 3.14Å; I204-F208 HydrophobicContact CG2-CD1 4.4Å; I204-F208 HydrophobicContact CG2-CD2 4.47Å; I204-F208 HydrophobicContact CG2-CE1 3.67Å; I204-F208 HydrophobicContact CG2-CE2 3.78Å; I204-F208 HydrophobicContact CG2-CZ 3.31Å; I204-F208 WeakPolarHBondContact O-CG 3.5Å; I204-F208 PolarHBondContact O-N 3.11Å
205L97.6Very high96.4Very high0 Ų012.5 Ų12.50%08%0.079CC..Hα-helixtrans-60.9-43.5177.4179.458.1000111.3F121 C201 G202 A207 F208 L209 V242 L245 L246 W268F121-L205 HydrophobicContact CB-CD1 4.1Å; F121-L205 HydrophobicContact CD1-CD1 4.36Å; F121-L205 HydrophobicContact CD1-CD2 4.27Å; F121-L205 HydrophobicContact CD2-CB 3.75Å; F121-L205 HydrophobicContact CD2-CD1 4.05Å; F121-L205 HydrophobicContact CD2-CD2 4.38Å; F121-L205 HydrophobicContact CD2-CG 4.26Å; F121-L205 HydrophobicContact CE1-CD2 4.03Å; F121-L205 HydrophobicContact CE2-CB 3.69Å; F121-L205 HydrophobicContact CE2-CD2 4.16Å; F121-L205 HydrophobicContact CE2-CG 4.36Å; F121-L205 HydrophobicContact CG-CB 4.44Å; F121-L205 HydrophobicContact CG-CD1 3.91Å; F121-L205 HydrophobicContact CG-CD2 4.42Å; F121-L205 HydrophobicContact CG-CG 4.48Å; F121-L205 HydrophobicContact CZ-CB 4.32Å; F121-L205 HydrophobicContact CZ-CD2 3.97Å; C201-L205 PolarHBondContact O-N 3.26Å; G202-L205 PolarHBondContact O-N 3.48Å; L205-A207 VanDerWaalsContact C-N 3.3Å; L205-A207 PolarHBondContact O-N 2.92Å; L205-F208 PolarHBondContact O-N 3.44Å; L205-L209 HydrophobicContact CD1-CD1 3.85Å; L205-L209 HydrophobicContact CD1-CG 4.2Å; L205-L209 HydrophobicContact CG-CD1 3.87Å; L205-L209 WeakPolarHBondContact O-CG 3.24Å; L205-L209 PolarHBondContact O-N 2.76Å; L205-L209 VanDerWaalsContact O-N 3.15Å; L205-V242 HydrophobicContact CD2-CG2 4.26Å; L205-L245 HydrophobicContact CD2-CD2 4.07Å; L205-L245 HydrophobicContact CD2-CG 4.5Å; L205-L246 HydrophobicContact CB-CD2 4.08Å; L205-L246 HydrophobicContact CD2-CD2 3.96Å; L205-L246 HydrophobicContact CD2-CG 4.33Å; L205-L246 HydrophobicContact CG-CD2 3.96Å; L205-W268 HydrophobicContact CD1-CH2 3.7Å; L205-W268 HydrophobicContact CD1-CZ3 4.09Å; L205-W268 HydrophobicContact CD2-CZ3 4.25Å
206Y97.1Very high96.4Very high11 Ų1115.2 Ų15.24%0.04310%0.095CC..Hα-helixtrans-58.3-45174.5-175.7-80.1000111.1G202 V203 I204 F208 L209 C210 T212 P214 F232 V233 L246G202-Y206 PolarHBondContact O-N 2.77Å; V203-Y206 PolarHBondContact O-N 2.63Å; I204-Y206 VanDerWaalsContact C-N 3.32Å; I204-Y206 PolarHBondContact O-N 3.1Å; Y206-F208 VanDerWaalsContact C-N 3.33Å; Y206-F208 PolarHBondContact O-N 3.33Å; Y206-L209 PolarHBondContact O-N 3.32Å; Y206-C210 HydrophobicContact CD1-CB 3.95Å; Y206-C210 HydrophobicContact CE1-CB 3.55Å; Y206-C210 VanDerWaalsContact O-CB 3.29Å; Y206-C210 WeakPolarHBondContact O-CB 3.27Å; Y206-C210 PolarHBondContact O-N 3.41Å; Y206-T212 WeakPolarHBondContact CD1-O 3.43Å; Y206-T212 VanDerWaalsContact CE1-O 3.31Å; Y206-T212 WeakPolarHBondContact CE1-O 3.23Å; Y206-P214 HydrophobicContact CD1-CB 3.75Å; Y206-P214 HydrophobicContact CD1-CG 3.94Å; Y206-P214 HydrophobicContact CD2-CB 3.94Å; Y206-P214 HydrophobicContact CE1-CB 3.92Å; Y206-P214 HydrophobicContact CE2-CB 4.12Å; Y206-P214 HydrophobicContact CG-CB 3.75Å; Y206-P214 HydrophobicContact CG-CG 3.97Å; Y206-F232 HydrophobicContact CD2-CD2 4.01Å; Y206-F232 HydrophobicContact CD2-CE2 4.23Å; Y206-F232 AromaticContact CE2-CD2 3.73Å; Y206-F232 HydrophobicContact CE2-CD2 3.73Å; Y206-F232 HydrophobicContact CE2-CE2 4.26Å; Y206-V233 VanDerWaalsContact CE2-O 3.3Å; Y206-V233 WeakPolarHBondContact CE2-O 3.44Å; Y206-V233 PolarHBondContact OH-O 3Å; Y206-L246 HydrophobicContact CD2-CD1 4.33Å
207A94.7Very high96.3Very high7 Ų717.2 Ų17.26%0.05811%0.105CC..Hα-helixtrans-61.4-38.4178.300000112.7V203 I204 L205 G211 T212 L213V203-A207 PolarHBondContact O-N 2.91Å; I204-A207 WeakPolarHBondContact O-CB 3.43Å; I204-A207 PolarHBondContact O-N 3.05Å; I204-A207 VanDerWaalsContact O-N 3.14Å; L205-A207 VanDerWaalsContact C-N 3.3Å; L205-A207 PolarHBondContact O-N 2.92Å; A207-G211 WeakPolarHBondContact O-CA 3.36Å; A207-G211 PolarHBondContact O-N 2.87Å; A207-T212 WeakPolarHBondContact CA-O 3.29Å; A207-L213 HydrophobicContact CB-CD2 4.38Å
208F94.7Very high96.2Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-61.8-45.8174.4-65.9-12.5000112.3L102 I106 L112 A117 F120 I124 I204 L205 Y206L102-F208 HydrophobicContact CD2-CE1 3.71Å; L102-F208 HydrophobicContact CD2-CZ 3.44Å; L102-F208 VanDerWaalsContact CD2-CZ 3.44Å; L102-F208 HydrophobicContact CG-CE1 4.11Å; L102-F208 HydrophobicContact CG-CZ 4.32Å; I106-F208 HydrophobicContact CD1-CD1 3.55Å; I106-F208 HydrophobicContact CD1-CE1 3.56Å; I106-F208 HydrophobicContact CG1-CD1 4.08Å; I106-F208 HydrophobicContact CG1-CE1 4.32Å; L112-F208 HydrophobicContact CD1-CB 4.03Å; L112-F208 HydrophobicContact CD1-CD1 4.13Å; L112-F208 HydrophobicContact CD1-CG 4.03Å; L112-F208 PolarHBondContact N-O 3.37Å; A117-F208 HydrophobicContact CB-CB 3.85Å; A117-F208 HydrophobicContact CB-CD2 4.44Å; F120-F208 HydrophobicContact CB-CD2 4.44Å; F120-F208 HydrophobicContact CB-CE2 3.82Å; F120-F208 HydrophobicContact CB-CZ 4.31Å; I124-F208 HydrophobicContact CD1-CE2 3.8Å; I124-F208 HydrophobicContact CD1-CZ 3.69Å; I204-F208 HydrophobicContact CG2-CD1 4.4Å; I204-F208 HydrophobicContact CG2-CD2 4.47Å; I204-F208 HydrophobicContact CG2-CE1 3.67Å; I204-F208 HydrophobicContact CG2-CE2 3.78Å; I204-F208 HydrophobicContact CG2-CZ 3.31Å; I204-F208 WeakPolarHBondContact O-CG 3.5Å; I204-F208 PolarHBondContact O-N 3.11Å; L205-F208 PolarHBondContact O-N 3.44Å; Y206-F208 VanDerWaalsContact C-N 3.33Å; Y206-F208 PolarHBondContact O-N 3.33Å
209L95.2Very high96.1Very high9 Ų931.6 Ų31.65%0.04717%0.172CC..Hα-helixtrans-79.3-31.9-173.3-62.9166.8000112.6E114 A117 L205 Y206 L238 V242 L246E114-L209 HydrophobicContact CG-CD2 4.45Å; A117-L209 HydrophobicContact CB-CD2 3.75Å; A117-L209 HydrophobicContact CB-CG 4.38Å; L205-L209 HydrophobicContact CD1-CD1 3.85Å; L205-L209 HydrophobicContact CD1-CG 4.2Å; L205-L209 HydrophobicContact CG-CD1 3.87Å; L205-L209 WeakPolarHBondContact O-CG 3.24Å; L205-L209 PolarHBondContact O-N 2.76Å; L205-L209 VanDerWaalsContact O-N 3.15Å; Y206-L209 PolarHBondContact O-N 3.32Å; L209-L238 HydrophobicContact CB-CD2 3.83Å; L209-V242 HydrophobicContact CD1-CG1 4.26Å; L209-V242 HydrophobicContact CD1-CG2 3.46Å; L209-V242 VanDerWaalsContact CD1-CG2 3.46Å; L209-L246 HydrophobicContact CD1-CD1 4.16Å
210C94.1Very high95.8Very high9 Ų935 Ų356%0.06119%0.193CC..Hα-helixtrans-108.9-14.3-173-57.70000114R111 Y206 T212R111-C210 WeakPolarHBondContact CG-O 3.26Å; Y206-C210 HydrophobicContact CD1-CB 3.95Å; Y206-C210 HydrophobicContact CE1-CB 3.55Å; Y206-C210 VanDerWaalsContact O-CB 3.29Å; Y206-C210 WeakPolarHBondContact O-CB 3.27Å; Y206-C210 PolarHBondContact O-N 3.41Å; C210-T212 PolarHBondContact O-N 3.5Å; C210-T212 VanDerWaalsContact O-N 3.15Å; C210-T212 PolarHBondContact O-OG1 2.79Å
211G91.5Very high95.7Very high35 Ų3537.6 Ų37.636%0.36121%0.21SC..SBendtrans63.912.9-176.800000113.3A207A207-G211 WeakPolarHBondContact O-CA 3.36Å; A207-G211 PolarHBondContact O-N 2.87Å
212T92.3Very high95.6Very high84 Ų8439.5 Ų39.552%0.51522%0.221SC..SBendtrans-145.4162.9-175.450.60000108.5Y206 A207 C210Y206-T212 WeakPolarHBondContact CD1-O 3.43Å; Y206-T212 VanDerWaalsContact CE1-O 3.31Å; Y206-T212 WeakPolarHBondContact CE1-O 3.23Å; A207-T212 WeakPolarHBondContact CA-O 3.29Å; C210-T212 PolarHBondContact O-N 3.5Å; C210-T212 VanDerWaalsContact O-N 3.15Å; C210-T212 PolarHBondContact O-OG1 2.79Å
213L94.6Very high95.6Very high47 Ų4739.7 Ų39.725%0.24622%0.222CC..  trans-86.9145.5178.1-66.5170.8000111.1N179 Y180 V203 A207 F215 D216N179-L213 HydrophobicContact CB-CD1 3.94Å; Y180-L213 HydrophobicContact CE1-CD2 3.97Å; V203-L213 HydrophobicContact CG1-CD2 4.02Å; A207-L213 HydrophobicContact CB-CD2 4.38Å; L213-F215 VanDerWaalsContact C-N 3.31Å; L213-D216 HydrophobicContact CB-CB 4.12Å
214P96.9Very high95.5Very high14 Ų1442.7 Ų42.79%0.09124%0.235CC..SBendtrans-70.6-30.3177.527.6-30.5000112V203 Y206 F232 L250V203-P214 HydrophobicContact CB-CG 4.34Å; V203-P214 HydrophobicContact CG1-CG 4.01Å; V203-P214 HydrophobicContact CG2-CG 4.12Å; Y206-P214 HydrophobicContact CD1-CB 3.75Å; Y206-P214 HydrophobicContact CD1-CG 3.94Å; Y206-P214 HydrophobicContact CD2-CB 3.94Å; Y206-P214 HydrophobicContact CE1-CB 3.92Å; Y206-P214 HydrophobicContact CE2-CB 4.12Å; Y206-P214 HydrophobicContact CG-CB 3.75Å; Y206-P214 HydrophobicContact CG-CG 3.97Å; P214-F232 HydrophobicContact CB-CB 3.74Å; P214-F232 HydrophobicContact CB-CD2 4.36Å; P214-F232 HydrophobicContact CB-CG 4.11Å; P214-L250 HydrophobicContact CG-CD1 4.48Å
215F97.5Very high95.5Very high1 Ų150.3 Ų50.30%0.00426%0.264CS..SBendtrans-129.2110.1176.7-43.6-71.4000108.9N179 W199 L213 L223 K226 I227 F232 L250N179-F215 PolarHBondContact ND2-O 2.87Å; N179-F215 VanDerWaalsContact ND2-O 3.08Å; W199-F215 AromaticContact CH2-CE2 3.94Å; W199-F215 HydrophobicContact CH2-CE2 3.94Å; W199-F215 HydrophobicContact CH2-CZ 4.07Å; W199-F215 HydrophobicContact CZ2-CD2 4.04Å; W199-F215 AromaticContact CZ2-CE2 3.39Å; W199-F215 HydrophobicContact CZ2-CE2 3.39Å; W199-F215 AromaticContact CZ2-CZ 3.98Å; W199-F215 HydrophobicContact CZ2-CZ 3.98Å; L213-F215 VanDerWaalsContact C-N 3.31Å; F215-L223 HydrophobicContact CB-CD1 4.16Å; F215-L223 WeakPolarHBondContact O-CD1 3.41Å; F215-K226 HydrophobicContact CD1-CB 4.39Å; F215-I227 HydrophobicContact CB-CG1 3.71Å; F215-I227 HydrophobicContact CD2-CG1 4.3Å; F215-I227 HydrophobicContact CG-CG1 4.01Å; F215-F232 HydrophobicContact CD1-CB 4.43Å; F215-F232 HydrophobicContact CE1-CB 3.85Å; F215-F232 HydrophobicContact CE1-CD1 4.17Å; F215-F232 HydrophobicContact CE1-CG 4.47Å; F215-F232 HydrophobicContact CZ-CB 4.17Å; F215-F232 AromaticContact CZ-CD1 3.83Å; F215-F232 HydrophobicContact CZ-CD1 3.83Å; F215-F232 HydrophobicContact CZ-CG 4.36Å; F215-L250 HydrophobicContact CE2-CD1 4.43Å
216D95.6Very high95.5Very high89 Ų8954.1 Ų54.148%0.47628%0.281SS..  trans-147.2144.5177-163.725.3000111.1N179 L213 K226N179-D216 PolarHBondContact ND2-OD1 3.21Å; L213-D216 HydrophobicContact CB-CB 4.12Å; D216-K226 PolarHBondContact O-NZ 2.87Å
217D95.8Very high95.6Very high46 Ų4653.6 Ų53.625%0.24628%0.279CS..  trans-169.7137.2176.6-151.7-80.7000109.9H219 T222 L223 K226D217-H219 PolarHBondContact O-N 3.29Å; D217-H219 WeakPolarHBondContact OD1-CB 3.49Å; D217-H219 PolarHBondContact OD1-N 3.26Å; D217-T222 HydrophobicContact CB-CG2 4.38Å; D217-T222 WeakPolarHBondContact OD2-CG2 3.33Å; D217-L223 HydrophobicContact CB-CB 3.95Å; D217-K226 HydrophobicContact CB-CD 4.43Å; D217-K226 WeakPolarHBondContact OD2-CE 3.26Å; D217-K226 IonicContact OD2-NZ 3.82Å; D217-K226 PolarHBondContact OD2-NZ 2.84Å
218E95.1Very high95.7Very high201 Ų20157.8 Ų57.894%0.93930%0.295SS*.SBendtrans-64.2-30174.1-64.2-175.6170.500111.8V220E218-V220 PolarHBondContact O-N 3.43Å
219H95.7Very high95.8Very high105 Ų10560.4 Ų60.449%0.48632%0.317SS..SBendtrans-90.8103.2178.2-168.362.5000110.9D217 P221 T222 L223D217-H219 PolarHBondContact O-N 3.29Å; D217-H219 WeakPolarHBondContact OD1-CB 3.49Å; D217-H219 PolarHBondContact OD1-N 3.26Å; H219-P221 WeakPolarHBondContact NE2-CD 3.25Å; H219-P221 WeakPolarHBondContact NE2-CG 3.46Å; H219-P221 VanDerWaalsContact O-N 3.16Å; H219-T222 PolarHBondContact CD2-OG1 2.85Å; H219-T222 WeakPolarHBondContact O-CA 3.37Å; H219-T222 WeakPolarHBondContact O-CB 3.34Å; H219-T222 PolarHBondContact O-N 2.97Å; H219-L223 PolarHBondContact O-N 3.09Å
220V93.9Very high95.9Very high73 Ų7360.8 Ų60.844%0.44232%0.323SS..Hα-helixtrans-48.4-43.7-176178.80000114.4E218 T222 L223 F224E218-V220 PolarHBondContact O-N 3.43Å; V220-T222 VanDerWaalsContact C-N 3.3Å; V220-T222 PolarHBondContact O-N 3.02Å; V220-L223 WeakPolarHBondContact O-CB 3.35Å; V220-L223 PolarHBondContact O-N 2.83Å; V220-F224 HydrophobicContact CG1-CD1 4.23Å; V220-F224 HydrophobicContact CG1-CD2 4.47Å; V220-F224 HydrophobicContact CG1-CE1 3.88Å; V220-F224 HydrophobicContact CG1-CE2 4.13Å; V220-F224 HydrophobicContact CG1-CZ 3.81Å; V220-F224 WeakPolarHBondContact O-CG 3.47Å; V220-F224 PolarHBondContact O-N 3.3Å
221P95.4Very high96Very high58 Ų5866.9 Ų66.938%0.37735%0.354SS..Hα-helixtrans-60-35.5174.2-27.136.3000114.1H219 R225H219-P221 WeakPolarHBondContact NE2-CD 3.25Å; H219-P221 WeakPolarHBondContact NE2-CG 3.46Å; H219-P221 VanDerWaalsContact O-N 3.16Å; P221-R225 WeakPolarHBondContact O-CG 3.02Å; P221-R225 PolarHBondContact O-N 2.73Å; P221-R225 VanDerWaalsContact O-N 3.12Å
222T96.9Very high96.2Very high41 Ų4166.7 Ų66.725%0.25234%0.343SS..Hα-helixtrans-72.5-41.5175.4-60.90000111D217 H219 V220 F224 R225 K226D217-T222 HydrophobicContact CB-CG2 4.38Å; D217-T222 WeakPolarHBondContact OD2-CG2 3.33Å; H219-T222 PolarHBondContact CD2-OG1 2.85Å; H219-T222 WeakPolarHBondContact O-CA 3.37Å; H219-T222 WeakPolarHBondContact O-CB 3.34Å; H219-T222 PolarHBondContact O-N 2.97Å; V220-T222 VanDerWaalsContact C-N 3.3Å; V220-T222 PolarHBondContact O-N 3.02Å; T222-F224 VanDerWaalsContact C-N 3.3Å; T222-F224 PolarHBondContact O-N 2.75Å; T222-R225 WeakPolarHBondContact O-CB 3.2Å; T222-R225 PolarHBondContact O-N 3.2Å; T222-R225 VanDerWaalsContact O-N 3.1Å; T222-R225 PolarHBondContact OG1-NH1 2.95Å; T222-K226 PolarHBondContact O-N 3.33Å
223L97.3Very high96.5Very high4 Ų467.8 Ų67.82%0.02135%0.35CS..Hα-helixtrans-53.6-48.4171174.458.6000111P178 F215 D217 H219 V220 R225 K226 I227P178-L223 HydrophobicContact CB-CD2 3.75Å; F215-L223 HydrophobicContact CB-CD1 4.16Å; F215-L223 WeakPolarHBondContact O-CD1 3.41Å; D217-L223 HydrophobicContact CB-CB 3.95Å; H219-L223 PolarHBondContact O-N 3.09Å; V220-L223 WeakPolarHBondContact O-CB 3.35Å; V220-L223 PolarHBondContact O-N 2.83Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.64Å; L223-K226 WeakPolarHBondContact O-CB 3.46Å; L223-K226 PolarHBondContact O-N 3.48Å; L223-K226 VanDerWaalsContact O-N 3.14Å; L223-I227 HydrophobicContact CD1-CD1 3.81Å; L223-I227 HydrophobicContact CD1-CG1 4.12Å; L223-I227 HydrophobicContact CG-CD1 3.83Å; L223-I227 WeakPolarHBondContact O-CG1 3.23Å; L223-I227 PolarHBondContact O-N 3.09Å
224F97Very high96.6Very high62 Ų6268.9 Ų68.927%0.27236%0.355SS..Hα-helixtrans-62.3-36.2177.7-74.73.1000112.9P178 I186 V220 T222 I227 K228P178-F224 HydrophobicContact CB-CE1 4.1Å; I186-F224 HydrophobicContact CB-CD1 4.3Å; I186-F224 HydrophobicContact CB-CE1 4.17Å; I186-F224 HydrophobicContact CB-CZ 4.33Å; I186-F224 HydrophobicContact CD1-CB 4.05Å; I186-F224 HydrophobicContact CD1-CD1 3.94Å; I186-F224 HydrophobicContact CD1-CG 4.03Å; I186-F224 HydrophobicContact CG2-CD1 4.34Å; I186-F224 HydrophobicContact CG2-CE1 3.96Å; I186-F224 HydrophobicContact CG2-CZ 4.38Å; V220-F224 HydrophobicContact CG1-CD1 4.23Å; V220-F224 HydrophobicContact CG1-CD2 4.47Å; V220-F224 HydrophobicContact CG1-CE1 3.88Å; V220-F224 HydrophobicContact CG1-CE2 4.13Å; V220-F224 HydrophobicContact CG1-CZ 3.81Å; V220-F224 WeakPolarHBondContact O-CG 3.47Å; V220-F224 PolarHBondContact O-N 3.3Å; T222-F224 VanDerWaalsContact C-N 3.3Å; T222-F224 PolarHBondContact O-N 2.75Å; F224-I227 HydrophobicContact CD1-CD1 4.49Å; F224-K228 WeakPolarHBondContact O-CB 3.34Å; F224-K228 WeakPolarHBondContact O-CG 3.33Å; F224-K228 PolarHBondContact O-N 3.39Å
225R97.3Very high96.5Very high160 Ų16069.4 Ų69.460%0.60436%0.358SS*.Hα-helixtrans-64.7-43.1173.2-70.7178.3-160.9111.2-1.3111.6P221 T222 L223 K228 A229P221-R225 WeakPolarHBondContact O-CG 3.02Å; P221-R225 PolarHBondContact O-N 2.73Å; P221-R225 VanDerWaalsContact O-N 3.12Å; T222-R225 WeakPolarHBondContact O-CB 3.2Å; T222-R225 PolarHBondContact O-N 3.2Å; T222-R225 VanDerWaalsContact O-N 3.1Å; T222-R225 PolarHBondContact OG1-NH1 2.95Å; L223-R225 VanDerWaalsContact C-N 3.31Å; L223-R225 PolarHBondContact O-N 2.64Å; R225-K228 PolarHBondContact O-N 2.86Å; R225-A229 WeakPolarHBondContact O-CB 3.47Å; R225-A229 PolarHBondContact O-N 3.21Å
226K97.7Very high96.4Very high81 Ų8178.8 Ų78.835%0.35240%0.402SS..Hα-helixtrans-60.4-48.9176.8-71.5174170.5170.30111.4F215 D216 D217 T222 L223 K228 A229 G230F215-K226 HydrophobicContact CD1-CB 4.39Å; D216-K226 PolarHBondContact O-NZ 2.87Å; D217-K226 HydrophobicContact CB-CD 4.43Å; D217-K226 WeakPolarHBondContact OD2-CE 3.26Å; D217-K226 IonicContact OD2-NZ 3.82Å; D217-K226 PolarHBondContact OD2-NZ 2.84Å; T222-K226 PolarHBondContact O-N 3.33Å; L223-K226 WeakPolarHBondContact O-CB 3.46Å; L223-K226 PolarHBondContact O-N 3.48Å; L223-K226 VanDerWaalsContact O-N 3.14Å; K226-K228 PolarHBondContact O-N 3.34Å; K226-A229 PolarHBondContact O-N 2.97Å; K226-G230 PolarHBondContact O-N 2.83Å
227I97.6Very high96.4Very high0 Ų080.1 Ų80.10%040%0.401CS..Hα-helixtrans-60.2-47.7178.1-65.5166.3000110.8P178 P183 I186 W199 F215 L223 F224 A229 G230P178-I227 WeakPolarHBondContact O-CD1 3.43Å; P183-I227 HydrophobicContact CB-CG2 4.42Å; P183-I227 HydrophobicContact CG-CG2 3.96Å; I186-I227 HydrophobicContact CD1-CB 3.66Å; I186-I227 HydrophobicContact CD1-CD1 4.14Å; I186-I227 HydrophobicContact CD1-CG2 3.47Å; I186-I227 VanDerWaalsContact CD1-CG2 3.47Å; I186-I227 HydrophobicContact CG1-CG2 4.27Å; W199-I227 HydrophobicContact CZ2-CG2 3.96Å; F215-I227 HydrophobicContact CB-CG1 3.71Å; F215-I227 HydrophobicContact CD2-CG1 4.3Å; F215-I227 HydrophobicContact CG-CG1 4.01Å; L223-I227 HydrophobicContact CD1-CD1 3.81Å; L223-I227 HydrophobicContact CD1-CG1 4.12Å; L223-I227 HydrophobicContact CG-CD1 3.83Å; L223-I227 WeakPolarHBondContact O-CG1 3.23Å; L223-I227 PolarHBondContact O-N 3.09Å; F224-I227 HydrophobicContact CD1-CD1 4.49Å; I227-A229 VanDerWaalsContact C-N 3.28Å; I227-A229 PolarHBondContact O-N 2.99Å; I227-G230 PolarHBondContact O-N 2.83Å; I227-G230 VanDerWaalsContact O-N 3.13Å
228K97Very high96.4Very high95 Ų9579 Ų7941%0.41340%0.395SS..Hα-helixtrans-65.7-29.2179.2-70.1178.9-166.5-158.50113.3I186 S187 F224 R225 K226I186-K228 HydrophobicContact CD1-CG 3.93Å; S187-K228 WeakPolarHBondContact OG-CE 3.24Å; S187-K228 PolarHBondContact OG-NZ 3.4Å; S187-K228 VanDerWaalsContact OG-NZ 3.16Å; F224-K228 WeakPolarHBondContact O-CB 3.34Å; F224-K228 WeakPolarHBondContact O-CG 3.33Å; F224-K228 PolarHBondContact O-N 3.39Å; R225-K228 PolarHBondContact O-N 2.86Å; K226-K228 PolarHBondContact O-N 3.34Å
229A97.5Very high96.4Very high55 Ų5573.2 Ų73.246%0.45537%0.37SS..Hα-helixtrans-74.2-31.217400000112.2R225 K226 I227 I231R225-A229 WeakPolarHBondContact O-CB 3.47Å; R225-A229 PolarHBondContact O-N 3.21Å; K226-A229 PolarHBondContact O-N 2.97Å; I227-A229 VanDerWaalsContact C-N 3.28Å; I227-A229 PolarHBondContact O-N 2.99Å; A229-I231 HydrophobicContact CB-CD1 4.29Å; A229-I231 HydrophobicContact CB-CG1 4.22Å; A229-I231 PolarHBondContact O-N 3.48Å
230G96.5Very high96.5Very high17 Ų1774.8 Ų74.818%0.17538%0.378CS..THydrogen-bonded Turntrans65.722.5-177.700000113.9K226 I227 V252K226-G230 PolarHBondContact O-N 2.83Å; I227-G230 PolarHBondContact O-N 2.83Å; I227-G230 VanDerWaalsContact O-N 3.13Å; G230-V252 VanDerWaalsContact CA-CG2 3.45Å
231I96.3Very high96.7Very high137 Ų13773 Ų7370%0.70337%0.368SS*.  trans-98.7117.9179.3-57.6173.7000108A229A229-I231 HydrophobicContact CB-CD1 4.29Å; A229-I231 HydrophobicContact CB-CG1 4.22Å; A229-I231 PolarHBondContact O-N 3.48Å
232F97.2Very high96.8Very high30 Ų3070.2 Ų70.213%0.13235%0.35CS..  trans-132.1156.4177.461-84.3000110.2Y206 P214 F215 I234 L246 V247 L250Y206-F232 HydrophobicContact CD2-CD2 4.01Å; Y206-F232 HydrophobicContact CD2-CE2 4.23Å; Y206-F232 AromaticContact CE2-CD2 3.73Å; Y206-F232 HydrophobicContact CE2-CD2 3.73Å; Y206-F232 HydrophobicContact CE2-CE2 4.26Å; P214-F232 HydrophobicContact CB-CB 3.74Å; P214-F232 HydrophobicContact CB-CD2 4.36Å; P214-F232 HydrophobicContact CB-CG 4.11Å; F215-F232 HydrophobicContact CD1-CB 4.43Å; F215-F232 HydrophobicContact CE1-CB 3.85Å; F215-F232 HydrophobicContact CE1-CD1 4.17Å; F215-F232 HydrophobicContact CE1-CG 4.47Å; F215-F232 HydrophobicContact CZ-CB 4.17Å; F215-F232 AromaticContact CZ-CD1 3.83Å; F215-F232 HydrophobicContact CZ-CD1 3.83Å; F215-F232 HydrophobicContact CZ-CG 4.36Å; F232-I234 HydrophobicContact CD2-CG1 4.15Å; F232-I234 HydrophobicContact CE2-CD1 4.25Å; F232-I234 HydrophobicContact CE2-CG1 3.74Å; F232-L246 HydrophobicContact CZ-CB 4.47Å; F232-V247 HydrophobicContact CZ-CG2 4.09Å; F232-L250 HydrophobicContact CD1-CD1 4.16Å; F232-L250 HydrophobicContact CE1-CB 3.9Å; F232-L250 HydrophobicContact CE1-CD1 3.81Å; F232-L250 HydrophobicContact CE2-CD1 4.35Å; F232-L250 HydrophobicContact CZ-CB 4.43Å; F232-L250 HydrophobicContact CZ-CD1 3.91Å
233V97Very high96.8Very high108 Ų10868.8 Ų68.866%0.65534%0.341SS*.  trans-77.8133-179.1178.60000109.3Y206 P235Y206-V233 VanDerWaalsContact CE2-O 3.3Å; Y206-V233 WeakPolarHBondContact CE2-O 3.44Å; Y206-V233 PolarHBondContact OH-O 3Å; V233-P235 WeakPolarHBondContact O-CD 3.48Å
234I96.7Very high96.9Very high70 Ų7071 Ų7136%0.35936%0.357SS..  trans-106.6108.4172-65.8161.5000107.8F232 L238 V243 V247F232-I234 HydrophobicContact CD2-CG1 4.15Å; F232-I234 HydrophobicContact CE2-CD1 4.25Å; F232-I234 HydrophobicContact CE2-CG1 3.74Å; I234-L238 HydrophobicContact CG2-CD1 4.47Å; I234-V243 HydrophobicContact CD1-CG1 3.76Å; I234-V243 HydrophobicContact CG1-CG1 4.45Å; I234-V243 HydrophobicContact CG2-CB 4.45Å; I234-V243 HydrophobicContact CG2-CG1 4.01Å; I234-V243 HydrophobicContact CG2-CG2 3.53Å; I234-V247 HydrophobicContact CD1-CG2 4.06Å
235P95.5Very high97Very high24 Ų2468 Ų6816%0.15634%0.344CS..  trans-64.8142.6176.8-22.333.7000112.6V233 Y237 L238V233-P235 WeakPolarHBondContact O-CD 3.48Å; P235-Y237 HydrophobicContact CB-CD1 3.63Å; P235-Y237 HydrophobicContact CB-CD2 4.45Å; P235-Y237 HydrophobicContact CB-CE1 3.16Å; P235-Y237 HydrophobicContact CB-CE2 4.06Å; P235-Y237 HydrophobicContact CB-CG 4.25Å; P235-Y237 HydrophobicContact CG-CE1 3.93Å; P235-Y237 HydrophobicContact CG-CE2 4.5Å; P235-Y237 PolarHBondContact O-N 3.38Å; P235-L238 PolarHBondContact O-N 3.03Å; P235-L238 VanDerWaalsContact O-N 3.12Å
236H95.4Very high97Very high199 Ų19960.5 Ų60.592%0.92132%0.316SS*.THydrogen-bonded Turntrans-62.6-16.3-177.2-62.4-64.9000115.3L238H236-L238 VanDerWaalsContact C-N 3.33Å
237Y95.8Very high97.1Very high117 Ų11759.3 Ų59.346%0.45932%0.316SS..THydrogen-bonded Turntrans-83.9-717960.9-105.7000113.4R111 P235R111-Y237 WeakPolarHBondContact CD-OH 3.39Å; R111-Y237 VanDerWaalsContact NH1-CZ 3.29Å; R111-Y237 PolarHBondContact NH1-OH 2.9Å; P235-Y237 HydrophobicContact CB-CD1 3.63Å; P235-Y237 HydrophobicContact CB-CD2 4.45Å; P235-Y237 HydrophobicContact CB-CE1 3.16Å; P235-Y237 HydrophobicContact CB-CE2 4.06Å; P235-Y237 HydrophobicContact CB-CG 4.25Å; P235-Y237 HydrophobicContact CG-CE1 3.93Å; P235-Y237 HydrophobicContact CG-CE2 4.5Å; P235-Y237 PolarHBondContact O-N 3.38Å
238L96.6Very high97.1Very high22 Ų2262.5 Ų62.512%0.11533%0.33CS..SBendtrans-80.4134176.6-63.9-175000110.6L209 I234 P235 H236 V242 V243 L246L209-L238 HydrophobicContact CB-CD2 3.83Å; I234-L238 HydrophobicContact CG2-CD1 4.47Å; P235-L238 PolarHBondContact O-N 3.03Å; P235-L238 VanDerWaalsContact O-N 3.12Å; H236-L238 VanDerWaalsContact C-N 3.33Å; L238-V242 HydrophobicContact CB-CG1 4.19Å; L238-V243 HydrophobicContact CB-CG2 3.75Å; L238-V243 HydrophobicContact CD1-CG2 4.4Å; L238-L246 HydrophobicContact CD1-CD1 4.32Å
239D95Very high97.2Very high79 Ų7958 Ų5842%0.42231%0.31SS..  trans-63.4144.9174.5-176.4-95.4000111.9S241 V242 V243D239-S241 PolarHBondContact O-N 2.73Å; D239-S241 WeakPolarHBondContact OD1-CA 3.2Å; D239-S241 WeakPolarHBondContact OD1-CB 3.38Å; D239-S241 PolarHBondContact OD1-N 3.1Å; D239-V242 HydrophobicContact CB-CG1 4.48Å; D239-V242 VanDerWaalsContact O-CG1 3.26Å; D239-V242 WeakPolarHBondContact O-CG1 3.4Å; D239-V242 PolarHBondContact O-N 2.88Å; D239-V243 WeakPolarHBondContact O-CG2 3.32Å; D239-V243 PolarHBondContact O-N 2.97Å; D239-V243 VanDerWaalsContact O-N 3.08Å
240Q96.7Very high97.2Very high139 Ų13955.5 Ų55.565%0.6529%0.29SS*.Hα-helixtrans-62.5-28.9-176.1-171.257.152.600112.9V243 S244Q240-V243 PolarHBondContact O-N 2.81Å; Q240-S244 PolarHBondContact O-N 2.72Å
241S97.7Very high97.3Very high35 Ų3557.8 Ų57.825%0.24530%0.296CS..Hα-helixtrans-68.2-42.8177.3-1650000111.6D239 V243 S244 L245 H266 W268D239-S241 PolarHBondContact O-N 2.73Å; D239-S241 WeakPolarHBondContact OD1-CA 3.2Å; D239-S241 WeakPolarHBondContact OD1-CB 3.38Å; D239-S241 PolarHBondContact OD1-N 3.1Å; S241-V243 VanDerWaalsContact C-N 3.33Å; S241-S244 PolarHBondContact O-N 3.18Å; S241-S244 PolarHBondContact O-OG 2.95Å; S241-L245 PolarHBondContact O-N 3.46Å; S241-H266 PolarHBondContact O-CE1 3.21Å; S241-W268 WeakPolarHBondContact OG-CB 3.43Å; S241-W268 PolarHBondContact OG-N 3.4Å
242V98Very high97.4Very high0 Ų053.7 Ų53.70%028%0.277CS..Hα-helixtrans-72-32.7175.673.80000111.8L205 L209 L238 D239 L245 L246 W268L205-V242 HydrophobicContact CD2-CG2 4.26Å; L209-V242 HydrophobicContact CD1-CG1 4.26Å; L209-V242 HydrophobicContact CD1-CG2 3.46Å; L209-V242 VanDerWaalsContact CD1-CG2 3.46Å; L238-V242 HydrophobicContact CB-CG1 4.19Å; D239-V242 HydrophobicContact CB-CG1 4.48Å; D239-V242 VanDerWaalsContact O-CG1 3.26Å; D239-V242 WeakPolarHBondContact O-CG1 3.4Å; D239-V242 PolarHBondContact O-N 2.88Å; V242-L245 PolarHBondContact O-N 3.32Å; V242-L246 WeakPolarHBondContact O-CG 3.35Å; V242-L246 PolarHBondContact O-N 2.93Å; V242-W268 HydrophobicContact CB-CD2 4.04Å; V242-W268 HydrophobicContact CB-CG 3.96Å; V242-W268 HydrophobicContact CB-CZ2 4.42Å; V242-W268 HydrophobicContact CG2-CD2 3.8Å; V242-W268 HydrophobicContact CG2-CE3 4.28Å; V242-W268 HydrophobicContact CG2-CG 4.23Å; V242-W268 HydrophobicContact CG2-CH2 4.25Å; V242-W268 HydrophobicContact CG2-CZ2 3.78Å; V242-W268 HydrophobicContact CG2-CZ3 4.48Å
243V98.2Very high97.3Very high10 Ų1055.5 Ų55.56%0.06129%0.288CS..Hα-helixtrans-62.5-43.4174.6171.90000111.2I234 L238 D239 Q240 S241 L245 L246 V247I234-V243 HydrophobicContact CD1-CG1 3.76Å; I234-V243 HydrophobicContact CG1-CG1 4.45Å; I234-V243 HydrophobicContact CG2-CB 4.45Å; I234-V243 HydrophobicContact CG2-CG1 4.01Å; I234-V243 HydrophobicContact CG2-CG2 3.53Å; L238-V243 HydrophobicContact CB-CG2 3.75Å; L238-V243 HydrophobicContact CD1-CG2 4.4Å; D239-V243 WeakPolarHBondContact O-CG2 3.32Å; D239-V243 PolarHBondContact O-N 2.97Å; D239-V243 VanDerWaalsContact O-N 3.08Å; Q240-V243 PolarHBondContact O-N 2.81Å; S241-V243 VanDerWaalsContact C-N 3.33Å; V243-L245 VanDerWaalsContact C-N 3.29Å; V243-L245 PolarHBondContact O-N 3.1Å; V243-L246 PolarHBondContact O-N 2.81Å; V243-V247 HydrophobicContact CG1-CG2 4.29Å; V243-V247 WeakPolarHBondContact O-CB 3.36Å; V243-V247 WeakPolarHBondContact O-CG2 3.25Å; V243-V247 PolarHBondContact O-N 3.18Å
244S98.2Very high97.3Very high51 Ų5152.9 Ų52.936%0.35727%0.273SS..Hα-helixtrans-61.7-39.2176.561.50000111.9Q240 S241 H248 H266Q240-S244 PolarHBondContact O-N 2.72Å; S241-S244 PolarHBondContact O-N 3.18Å; S241-S244 PolarHBondContact O-OG 2.95Å; S244-H248 VanDerWaalsContact O-CB 3.3Å; S244-H248 WeakPolarHBondContact O-CB 3.47Å; S244-H248 PolarHBondContact O-N 3.08Å; S244-H248 VanDerWaalsContact O-N 3.09Å; S244-H266 PolarHBondContact OG-CE1 3.38Å; S244-H266 PolarHBondContact OG-NE2 3.39Å
245L98.6Very high97.2Very high0 Ų057 Ų570%029%0.294CS..Hα-helixtrans-63.6-49.2174.6-179.457.9000111.9F121 L205 S241 V242 V243 V247 H248 M249 I263 H266 W268F121-L245 HydrophobicContact CE1-CD2 4.28Å; L205-L245 HydrophobicContact CD2-CD2 4.07Å; L205-L245 HydrophobicContact CD2-CG 4.5Å; S241-L245 PolarHBondContact O-N 3.46Å; V242-L245 PolarHBondContact O-N 3.32Å; V243-L245 VanDerWaalsContact C-N 3.29Å; V243-L245 PolarHBondContact O-N 3.1Å; L245-V247 PolarHBondContact O-N 3.17Å; L245-H248 PolarHBondContact O-N 2.83Å; L245-H248 VanDerWaalsContact O-N 3.15Å; L245-M249 HydrophobicContact CD1-CG 4.06Å; L245-M249 HydrophobicContact CD1-SD 3.96Å; L245-M249 HydrophobicContact CG-CG 4.46Å; L245-M249 HydrophobicContact CG-SD 3.96Å; L245-M249 WeakPolarHBondContact O-CG 3.49Å; L245-M249 PolarHBondContact O-N 3.09Å; L245-I263 HydrophobicContact CD1-CB 4.44Å; L245-I263 HydrophobicContact CD1-CG1 4.14Å; L245-I263 HydrophobicContact CD1-CG2 4.35Å; L245-H266 HydrophobicContact CD1-CB 4.01Å; L245-W268 HydrophobicContact CD2-CE3 3.68Å; L245-W268 HydrophobicContact CD2-CZ3 4.25Å
246L98.6Very high97.2Very high2 Ų262.4 Ų62.41%0.0132%0.315CS..Hα-helixtrans-58.6-47.6179.2-77.8170.6000112.1G202 L205 Y206 L209 F232 L238 V242 V243 H248 M249 L250G202-L246 WeakPolarHBondContact O-CD2 3.29Å; L205-L246 HydrophobicContact CB-CD2 4.08Å; L205-L246 HydrophobicContact CD2-CD2 3.96Å; L205-L246 HydrophobicContact CD2-CG 4.33Å; L205-L246 HydrophobicContact CG-CD2 3.96Å; Y206-L246 HydrophobicContact CD2-CD1 4.33Å; L209-L246 HydrophobicContact CD1-CD1 4.16Å; F232-L246 HydrophobicContact CZ-CB 4.47Å; L238-L246 HydrophobicContact CD1-CD1 4.32Å; V242-L246 WeakPolarHBondContact O-CG 3.35Å; V242-L246 PolarHBondContact O-N 2.93Å; V243-L246 PolarHBondContact O-N 2.81Å; L246-H248 PolarHBondContact O-N 3.02Å; L246-M249 PolarHBondContact O-N 3.38Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 3.01Å
247V98.2Very high97.4Very high56 Ų5653.2 Ų53.234%0.33927%0.273SS..Hα-helixtrans-63.9-32.1178.5171.70000111.5F232 I234 V243 L245 Q251F232-V247 HydrophobicContact CZ-CG2 4.09Å; I234-V247 HydrophobicContact CD1-CG2 4.06Å; V243-V247 HydrophobicContact CG1-CG2 4.29Å; V243-V247 WeakPolarHBondContact O-CB 3.36Å; V243-V247 WeakPolarHBondContact O-CG2 3.25Å; V243-V247 PolarHBondContact O-N 3.18Å; L245-V247 PolarHBondContact O-N 3.17Å; V247-Q251 WeakPolarHBondContact O-CG 3.32Å; V247-Q251 PolarHBondContact O-NE2 2.91Å
248H98.4Very high97.5Very high66 Ų6647.7 Ų47.731%0.30625%0.251SS..Hα-helixtrans-74.1-41.4176.8-163.2-168000111.8S244 L245 L246 Q251 A258S244-H248 VanDerWaalsContact O-CB 3.3Å; S244-H248 WeakPolarHBondContact O-CB 3.47Å; S244-H248 PolarHBondContact O-N 3.08Å; S244-H248 VanDerWaalsContact O-N 3.09Å; L245-H248 PolarHBondContact O-N 2.83Å; L245-H248 VanDerWaalsContact O-N 3.15Å; L246-H248 PolarHBondContact O-N 3.02Å; H248-Q251 WeakPolarHBondContact O-CG 3.46Å; H248-A258 HydrophobicContact CB-CB 4.14Å; H248-A258 PolarHBondContact O-N 2.73Å
249M98.7Very high97.5Very high0 Ų049.9 Ų49.90%027%0.266CS..Hα-helixtrans-71.3-33.5176.9-69.11797300113.6F121 I198 C201 L245 L246 Q251 R257 A258 I263F121-M249 HydrophobicContact CE1-SD 4.48Å; F121-M249 HydrophobicContact CE2-CE 4.07Å; F121-M249 HydrophobicContact CZ-CE 3.58Å; F121-M249 HydrophobicContact CZ-SD 3.71Å; I198-M249 HydrophobicContact CG2-CB 4.34Å; I198-M249 HydrophobicContact CG2-CE 4.19Å; I198-M249 HydrophobicContact CG2-CG 4.28Å; I198-M249 WeakPolarHBondContact O-CE 3.3Å; C201-M249 HydrophobicContact CB-CE 3.61Å; L245-M249 HydrophobicContact CD1-CG 4.06Å; L245-M249 HydrophobicContact CD1-SD 3.96Å; L245-M249 HydrophobicContact CG-CG 4.46Å; L245-M249 HydrophobicContact CG-SD 3.96Å; L245-M249 WeakPolarHBondContact O-CG 3.49Å; L245-M249 PolarHBondContact O-N 3.09Å; L246-M249 PolarHBondContact O-N 3.38Å; M249-Q251 VanDerWaalsContact C-N 3.35Å; M249-R257 VanDerWaalsContact O-CD 3.25Å; M249-R257 WeakPolarHBondContact O-CD 3.4Å; M249-R257 WeakPolarHBondContact O-CG 3.37Å; M249-A258 HydrophobicContact CG-CB 4.07Å; M249-I263 HydrophobicContact CE-CD1 3.8Å; M249-I263 HydrophobicContact CE-CG1 4.44Å; M249-I263 HydrophobicContact CG-CD1 4.06Å; M249-I263 HydrophobicContact CG-CG1 3.96Å; M249-I263 HydrophobicContact SD-CD1 4.15Å; M249-I263 HydrophobicContact SD-CG1 4.13Å
250L98.6Very high97.6Very high4 Ų446.9 Ų46.92%0.02125%0.249CC..THydrogen-bonded Turntrans-97.227-178.6-61.4178.9000112.9W199 V203 P214 F215 F232 L246 V252W199-L250 HydrophobicContact CD2-CD2 3.95Å; W199-L250 HydrophobicContact CE3-CD2 4.14Å; W199-L250 HydrophobicContact CG-CD2 4.36Å; W199-L250 HydrophobicContact CZ2-CD2 4.43Å; W199-L250 HydrophobicContact CZ3-CB 4.33Å; W199-L250 HydrophobicContact CZ3-CD2 4.48Å; W199-L250 VanDerWaalsContact CZ3-O 3.31Å; W199-L250 WeakPolarHBondContact CZ3-O 3.37Å; V203-L250 HydrophobicContact CG2-CD2 3.94Å; P214-L250 HydrophobicContact CG-CD1 4.48Å; F215-L250 HydrophobicContact CE2-CD1 4.43Å; F232-L250 HydrophobicContact CD1-CD1 4.16Å; F232-L250 HydrophobicContact CE1-CB 3.9Å; F232-L250 HydrophobicContact CE1-CD1 3.81Å; F232-L250 HydrophobicContact CE2-CD1 4.35Å; F232-L250 HydrophobicContact CZ-CB 4.43Å; F232-L250 HydrophobicContact CZ-CD1 3.91Å; L246-L250 WeakPolarHBondContact O-CB 3.39Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 3.01Å; L250-V252 PolarHBondContact O-N 3.14Å
251Q98.4Very high97.5Very high64 Ų6445.4 Ų45.430%0.29925%0.246SC..  trans-66.1127.5168.7-73.6-64.5-44.700110.7V247 H248 M249 N253 K256 R257V247-Q251 WeakPolarHBondContact O-CG 3.32Å; V247-Q251 PolarHBondContact O-NE2 2.91Å; H248-Q251 WeakPolarHBondContact O-CG 3.46Å; M249-Q251 VanDerWaalsContact C-N 3.35Å; Q251-N253 VanDerWaalsContact C-N 3.31Å; Q251-N253 PolarHBondContact O-N 3.26Å; Q251-K256 HydrophobicContact CB-CB 4.48Å; Q251-K256 HydrophobicContact CG-CB 4.4Å; Q251-R257 HydrophobicContact CB-CB 4.1Å; Q251-R257 HydrophobicContact CB-CG 4.41Å; Q251-R257 PolarHBondContact O-NE 3.15Å; Q251-R257 PolarHBondContact O-NH2 3.29Å
252V98.1Very high97.5Very high51 Ų5146.9 Ų46.931%0.30925%0.251SS..SBendtrans-62.5-41176.7177.50000111.1P183 G230 L250 P254 R257P183-V252 HydrophobicContact CB-CG1 4.08Å; P183-V252 HydrophobicContact CG-CB 4.5Å; P183-V252 HydrophobicContact CG-CG1 4.1Å; P183-V252 HydrophobicContact CG-CG2 4.49Å; G230-V252 VanDerWaalsContact CA-CG2 3.45Å; L250-V252 PolarHBondContact O-N 3.14Å; V252-P254 VanDerWaalsContact O-CD 3.26Å; V252-P254 WeakPolarHBondContact O-CD 3.45Å; V252-R257 PolarHBondContact O-NH2 3.1Å
253N95.6Very high97.6Very high69 Ų6946.9 Ų46.937%0.36925%0.251SS..SBendtrans-75.3113.7176.7-177.1-17.7000109.7Q251 I255 K256 R257Q251-N253 VanDerWaalsContact C-N 3.31Å; Q251-N253 PolarHBondContact O-N 3.26Å; N253-I255 PolarHBondContact O-N 2.91Å; N253-I255 VanDerWaalsContact O-N 3.16Å; N253-I255 WeakPolarHBondContact OD1-CB 3.49Å; N253-I255 PolarHBondContact OD1-N 3.09Å; N253-K256 HydrophobicContact CB-CB 4.3Å; N253-K256 HydrophobicContact CB-CD 4.45Å; N253-K256 HydrophobicContact CB-CG 4.32Å; N253-K256 PolarHBondContact O-N 3.08Å; N253-R257 PolarHBondContact O-N 3.22Å; N253-R257 VanDerWaalsContact O-N 3.11Å
254P95.4Very high97.5Very high52 Ų5247.5 Ų47.534%0.33825%0.254SS..THydrogen-bonded Turntrans-61.4-26.4-176.824.5-34.2000113.4E195 V252 K256 R257E195-P254 HydrophobicContact CB-CB 4.5Å; E195-P254 HydrophobicContact CG-CB 3.91Å; V252-P254 VanDerWaalsContact O-CD 3.26Å; V252-P254 WeakPolarHBondContact O-CD 3.45Å; P254-K256 VanDerWaalsContact C-N 3.33Å; P254-R257 WeakPolarHBondContact O-CB 3.43Å; P254-R257 PolarHBondContact O-N 3.12Å
255I94.4Very high97.4Very high156 Ų15648.5 Ų48.580%0.827%0.265SS*.THydrogen-bonded Turntrans-71.9-29.4177.7-59.6174.6000111.6N253N253-I255 PolarHBondContact O-N 2.91Å; N253-I255 VanDerWaalsContact O-N 3.16Å; N253-I255 WeakPolarHBondContact OD1-CB 3.49Å; N253-I255 PolarHBondContact OD1-N 3.09Å
256K97Very high97.4Very high139 Ų13949.5 Ų49.560%0.60427%0.27SS*.THydrogen-bonded Turntrans-93.5-8177.8-64.2-173176.9-175.40112.6Q251 N253 P254Q251-K256 HydrophobicContact CB-CB 4.48Å; Q251-K256 HydrophobicContact CG-CB 4.4Å; N253-K256 HydrophobicContact CB-CB 4.3Å; N253-K256 HydrophobicContact CB-CD 4.45Å; N253-K256 HydrophobicContact CB-CG 4.32Å; N253-K256 PolarHBondContact O-N 3.08Å; P254-K256 VanDerWaalsContact C-N 3.33Å
257R98.4Very high97.4Very high6 Ų653.7 Ų53.72%0.02330%0.297CS..SBendtrans-69.4140.7180-164.4178-62.1150.66.3109.3E184 E195 I198 M249 Q251 V252 N253 P254 T259E184-R257 IonicContact OE1-CZ 3.1Å; E184-R257 IonicContact OE1-NH1 2.66Å; E184-R257 PolarHBondContact OE1-NH1 3.18Å; E184-R257 IonicContact OE1-NH2 3.21Å; E184-R257 PolarHBondContact OE1-NH2 3.08Å; E184-R257 IonicContact OE2-CZ 2.62Å; E184-R257 IonicContact OE2-NH1 3.95Å; E184-R257 IonicContact OE2-NH2 3.95Å; E184-R257 PolarHBondContact OE2-NH2 3.5Å; E195-R257 WeakPolarHBondContact O-CD 3.42Å; E195-R257 PolarHBondContact O-NH1 3.34Å; I198-R257 HydrophobicContact CG2-CG 4.34Å; M249-R257 VanDerWaalsContact O-CD 3.25Å; M249-R257 WeakPolarHBondContact O-CD 3.4Å; M249-R257 WeakPolarHBondContact O-CG 3.37Å; Q251-R257 HydrophobicContact CB-CB 4.1Å; Q251-R257 HydrophobicContact CB-CG 4.41Å; Q251-R257 PolarHBondContact O-NE 3.15Å; Q251-R257 PolarHBondContact O-NH2 3.29Å; V252-R257 PolarHBondContact O-NH2 3.1Å; N253-R257 PolarHBondContact O-N 3.22Å; N253-R257 VanDerWaalsContact O-N 3.11Å; P254-R257 WeakPolarHBondContact O-CB 3.43Å; P254-R257 PolarHBondContact O-N 3.12Å; R257-T259 PolarHBondContact O-N 3.5Å
258A98.3Very high97.4Very high1 Ų151.2 Ų51.21%0.00828%0.282CS..PPolyproline II helixtrans-49136.3175.300000109.9I198 H248 M249 D262 I263I198-A258 VanDerWaalsContact CD1-O 3.23Å; I198-A258 WeakPolarHBondContact CD1-O 3.5Å; I198-A258 WeakPolarHBondContact CG2-O 3.4Å; H248-A258 HydrophobicContact CB-CB 4.14Å; H248-A258 PolarHBondContact O-N 2.73Å; M249-A258 HydrophobicContact CG-CB 4.07Å; A258-D262 HydrophobicContact CB-CB 4.2Å; A258-I263 HydrophobicContact CB-CG1 4.1Å
259T97.2Very high97.4Very high68 Ų6848.1 Ų48.142%0.41727%0.267SS..PPolyproline II helixtrans-85.7169.416769.90000110.2R257 N261 D262 I263R257-T259 PolarHBondContact O-N 3.5Å; T259-N261 PolarHBondContact O-N 3.44Å; T259-D262 WeakPolarHBondContact CA-OD2 3.44Å; T259-D262 VanDerWaalsContact CB-OD2 3.29Å; T259-D262 WeakPolarHBondContact CB-OD2 3.46Å; T259-D262 WeakPolarHBondContact CG2-OD2 3.18Å; T259-D262 PolarHBondContact N-OD2 3.19Å; T259-D262 WeakPolarHBondContact O-CB 2.8Å; T259-D262 PolarHBondContact O-N 2.76Å; T259-D262 VanDerWaalsContact O-N 3.1Å; T259-D262 PolarHBondContact OG1-N 3.28Å; T259-D262 PolarHBondContact OG1-OD2 3.26Å; T259-I263 WeakPolarHBondContact O-CG1 3.46Å; T259-I263 PolarHBondContact O-N 2.79Å; T259-I263 VanDerWaalsContact O-N 3.08Å
260M96.2Very high97.4Very high16 Ų1652.5 Ų52.58%0.07929%0.287CS..Hα-helixtrans-56.4-40.3174.5-170.159.371.300111.7I125 V128 D129 I198 D262 I263 I264I125-M260 HydrophobicContact CG2-SD 3.52Å; I125-M260 VanDerWaalsContact CG2-SD 3.52Å; V128-M260 HydrophobicContact CB-CE 4.03Å; V128-M260 HydrophobicContact CG1-CE 3.62Å; D129-M260 HydrophobicContact CB-CE 4.22Å; D129-M260 HydrophobicContact CB-CG 3.73Å; D129-M260 HydrophobicContact CB-SD 3.89Å; I198-M260 HydrophobicContact CG1-CE 4.48Å; M260-D262 PolarHBondContact O-N 3.22Å; M260-I263 PolarHBondContact O-N 3.23Å; M260-I264 HydrophobicContact CG-CD1 3.91Å; M260-I264 VanDerWaalsContact O-CG1 3.29Å; M260-I264 WeakPolarHBondContact O-CG1 2.99Å; M260-I264 PolarHBondContact O-N 2.9Å; M260-I264 HydrophobicContact SD-CD1 4.47Å
261N95.3Very high97.4Very high107 Ų10755.2 Ų55.257%0.57230%0.304SS*.Hα-helixtrans-65.4-38.3176.9-67.8-30.5000112T259 I263 I264 A265T259-N261 PolarHBondContact O-N 3.44Å; N261-I263 VanDerWaalsContact C-N 3.33Å; N261-I263 PolarHBondContact O-N 3.46Å; N261-I264 PolarHBondContact O-N 3.31Å; N261-A265 VanDerWaalsContact O-CB 3.25Å; N261-A265 WeakPolarHBondContact O-CB 3.25Å; N261-A265 PolarHBondContact O-N 2.98Å
262D98.1Very high97.3Very high66 Ų6658 Ų5835%0.35332%0.321SS..Hα-helixtrans-64.7-39.2177.5-59.4-49.7000111.4A258 T259 M260 H266A258-D262 HydrophobicContact CB-CB 4.2Å; T259-D262 WeakPolarHBondContact CA-OD2 3.44Å; T259-D262 VanDerWaalsContact CB-OD2 3.29Å; T259-D262 WeakPolarHBondContact CB-OD2 3.46Å; T259-D262 WeakPolarHBondContact CG2-OD2 3.18Å; T259-D262 PolarHBondContact N-OD2 3.19Å; T259-D262 WeakPolarHBondContact O-CB 2.8Å; T259-D262 PolarHBondContact O-N 2.76Å; T259-D262 VanDerWaalsContact O-N 3.1Å; T259-D262 PolarHBondContact OG1-N 3.28Å; T259-D262 PolarHBondContact OG1-OD2 3.26Å; M260-D262 PolarHBondContact O-N 3.22Å; D262-H266 WeakPolarHBondContact O-CB 3.39Å; D262-H266 PolarHBondContact O-N 3.48Å; D262-H266 VanDerWaalsContact O-N 3.14Å
263I98.6Very high97.2Very high0 Ų057.5 Ų57.50%032%0.316CS..Hα-helixtrans-66.1-50.4176.3-64160.1000110.3F121 I125 I198 L245 M249 A258 T259 M260 N261 A265 H266 F269F121-I263 HydrophobicContact CE1-CG2 3.98Å; F121-I263 HydrophobicContact CZ-CG2 4.34Å; I125-I263 HydrophobicContact CD1-CD1 4.49Å; I125-I263 HydrophobicContact CD1-CG2 4.29Å; I125-I263 HydrophobicContact CG1-CG2 4.13Å; I125-I263 HydrophobicContact CG2-CG2 4.15Å; I198-I263 HydrophobicContact CD1-CD1 4.36Å; I198-I263 HydrophobicContact CG1-CD1 4.09Å; I198-I263 HydrophobicContact CG2-CD1 3.8Å; L245-I263 HydrophobicContact CD1-CB 4.44Å; L245-I263 HydrophobicContact CD1-CG1 4.14Å; L245-I263 HydrophobicContact CD1-CG2 4.35Å; M249-I263 HydrophobicContact CE-CD1 3.8Å; M249-I263 HydrophobicContact CE-CG1 4.44Å; M249-I263 HydrophobicContact CG-CD1 4.06Å; M249-I263 HydrophobicContact CG-CG1 3.96Å; M249-I263 HydrophobicContact SD-CD1 4.15Å; M249-I263 HydrophobicContact SD-CG1 4.13Å; A258-I263 HydrophobicContact CB-CG1 4.1Å; T259-I263 WeakPolarHBondContact O-CG1 3.46Å; T259-I263 PolarHBondContact O-N 2.79Å; T259-I263 VanDerWaalsContact O-N 3.08Å; M260-I263 PolarHBondContact O-N 3.23Å; N261-I263 VanDerWaalsContact C-N 3.33Å; N261-I263 PolarHBondContact O-N 3.46Å; I263-A265 VanDerWaalsContact C-N 3.3Å; I263-A265 PolarHBondContact O-N 2.88Å; I263-H266 VanDerWaalsContact O-CB 3.24Å; I263-H266 WeakPolarHBondContact O-CB 3.42Å; I263-H266 PolarHBondContact O-N 2.89Å; I263-H266 VanDerWaalsContact O-N 3.08Å; I263-F269 HydrophobicContact CG2-CD2 4Å; I263-F269 HydrophobicContact CG2-CE2 4.24Å; I263-F269 HydrophobicContact CG2-CG 4.48Å; I263-F269 VanDerWaalsContact O-CB 3.25Å; I263-F269 WeakPolarHBondContact O-CB 3.48Å; I263-F269 WeakPolarHBondContact O-CG 3.37Å
264I96.7Very high97.1Very high24 Ų2456.4 Ų56.412%0.12331%0.313CS..Hα-helixtrans-60-44.3-179.2-67165.5000109.7I125 M260 N261 H266 F269 Q270 F278I125-I264 HydrophobicContact CG2-CG1 4.14Å; M260-I264 HydrophobicContact CG-CD1 3.91Å; M260-I264 VanDerWaalsContact O-CG1 3.29Å; M260-I264 WeakPolarHBondContact O-CG1 2.99Å; M260-I264 PolarHBondContact O-N 2.9Å; M260-I264 HydrophobicContact SD-CD1 4.47Å; N261-I264 PolarHBondContact O-N 3.31Å; I264-H266 PolarHBondContact O-N 3.41Å; I264-F269 HydrophobicContact CG1-CE1 4.35Å; I264-F269 WeakPolarHBondContact O-CD1 3.46Å; I264-Q270 PolarHBondContact O-NE2 3.45Å; I264-F278 HydrophobicContact CD1-CD1 3.73Å; I264-F278 HydrophobicContact CD1-CE1 3.4Å; I264-F278 HydrophobicContact CD1-CZ 4.01Å; I264-F278 HydrophobicContact CG1-CD1 4.34Å; I264-F278 HydrophobicContact CG1-CE1 3.79Å; I264-F278 HydrophobicContact CG1-CE2 4.43Å; I264-F278 HydrophobicContact CG1-CZ 3.85Å
265A97.5Very high96.9Very high72 Ų7258.2 Ų58.260%0.59533%0.333SS*.THydrogen-bonded Turntrans-73.9-8.5179.400000114.4N261 I263N261-A265 VanDerWaalsContact O-CB 3.25Å; N261-A265 WeakPolarHBondContact O-CB 3.25Å; N261-A265 PolarHBondContact O-N 2.98Å; I263-A265 VanDerWaalsContact C-N 3.3Å; I263-A265 PolarHBondContact O-N 2.88Å
266H98.6Very high96.7Very high21 Ų2155.9 Ų55.910%0.09731%0.314CS..  trans-67134.4-173.7-166.9-80.7000111.5S241 S244 L245 D262 I263 I264 W268 F269 Q270S241-H266 PolarHBondContact O-CE1 3.21Å; S244-H266 PolarHBondContact OG-CE1 3.38Å; S244-H266 PolarHBondContact OG-NE2 3.39Å; L245-H266 HydrophobicContact CD1-CB 4.01Å; D262-H266 WeakPolarHBondContact O-CB 3.39Å; D262-H266 PolarHBondContact O-N 3.48Å; D262-H266 VanDerWaalsContact O-N 3.14Å; I263-H266 VanDerWaalsContact O-CB 3.24Å; I263-H266 WeakPolarHBondContact O-CB 3.42Å; I263-H266 PolarHBondContact O-N 2.89Å; I263-H266 VanDerWaalsContact O-N 3.08Å; I264-H266 PolarHBondContact O-N 3.41Å; H266-W268 VanDerWaalsContact C-N 3.33Å; H266-W268 WeakPolarHBondContact ND1-CB 3.25Å; H266-W268 PolarHBondContact ND1-N 2.92Å; H266-W268 VanDerWaalsContact ND1-N 3.17Å; H266-W268 PolarHBondContact O-N 2.95Å; H266-F269 HydrophobicContact CB-CB 4.25Å; H266-F269 WeakPolarHBondContact O-CB 3.48Å; H266-F269 PolarHBondContact O-N 3.36Å; H266-Q270 PolarHBondContact O-N 3.01Å; H266-Q270 VanDerWaalsContact O-N 3.09Å
267P98Very high96.5Very high90 Ų9049.5 Ų49.558%0.58429%0.287SS*.Hα-helixtrans-53.1-45-177.8-29.435.4000114F269 Q270P267-F269 VanDerWaalsContact C-N 3.27Å; P267-F269 PolarHBondContact O-N 3.08Å; P267-Q270 PolarHBondContact O-N 2.9Å
268W98.5Very high96Very high4 Ų451 Ų512%0.01529%0.294CS..Hα-helixtrans-57.5-36.7175.5-172.384.1000114E114 R118 F121 L205 S241 V242 L245 H266E114-W268 HydrophobicContact CG-CZ2 3.85Å; E114-W268 PolarHBondContact OE1-NE1 3.36Å; R118-W268 VanDerWaalsContact CA-CH2 3.49Å; R118-W268 HydrophobicContact CB-CH2 3.57Å; R118-W268 HydrophobicContact CB-CZ2 3.81Å; R118-W268 HydrophobicContact CB-CZ3 4.17Å; R118-W268 WeakPolarHBondContact CD-O 3.25Å; R118-W268 HydrophobicContact CG-CE3 4.44Å; R118-W268 HydrophobicContact CG-CH2 3.92Å; R118-W268 HydrophobicContact CG-CZ2 4.28Å; R118-W268 HydrophobicContact CG-CZ3 3.99Å; R118-W268 PolarHBondContact NE-O 3.31Å; F121-W268 AromaticContact CD1-CZ3 3.99Å; F121-W268 HydrophobicContact CD1-CZ3 3.99Å; L205-W268 HydrophobicContact CD1-CH2 3.7Å; L205-W268 HydrophobicContact CD1-CZ3 4.09Å; L205-W268 HydrophobicContact CD2-CZ3 4.25Å; S241-W268 WeakPolarHBondContact OG-CB 3.43Å; S241-W268 PolarHBondContact OG-N 3.4Å; V242-W268 HydrophobicContact CB-CD2 4.04Å; V242-W268 HydrophobicContact CB-CG 3.96Å; V242-W268 HydrophobicContact CB-CZ2 4.42Å; V242-W268 HydrophobicContact CG2-CD2 3.8Å; V242-W268 HydrophobicContact CG2-CE3 4.28Å; V242-W268 HydrophobicContact CG2-CG 4.23Å; V242-W268 HydrophobicContact CG2-CH2 4.25Å; V242-W268 HydrophobicContact CG2-CZ2 3.78Å; V242-W268 HydrophobicContact CG2-CZ3 4.48Å; L245-W268 HydrophobicContact CD2-CE3 3.68Å; L245-W268 HydrophobicContact CD2-CZ3 4.25Å; H266-W268 VanDerWaalsContact C-N 3.33Å; H266-W268 WeakPolarHBondContact ND1-CB 3.25Å; H266-W268 PolarHBondContact ND1-N 2.92Å; H266-W268 VanDerWaalsContact ND1-N 3.17Å; H266-W268 PolarHBondContact O-N 2.95Å
269F98.5Very high95.1Very high0 Ų053.7 Ų53.70%031%0.311CS..Hα-helixtrans-77.3-32.8-177.4-174.2-88.9000111.9F121 Q122 I125 I263 I264 H266 P267 V271 L273 F278F121-F269 AromaticContact CD1-CD2 3.83Å; F121-F269 HydrophobicContact CD1-CD2 3.83Å; F121-F269 AromaticContact CD1-CE2 3.88Å; F121-F269 HydrophobicContact CD1-CE2 3.88Å; F121-F269 AromaticContact CE1-CD2 3.87Å; F121-F269 HydrophobicContact CE1-CD2 3.87Å; F121-F269 HydrophobicContact CE1-CE2 4.03Å; Q122-F269 HydrophobicContact CB-CE2 4.15Å; Q122-F269 HydrophobicContact CB-CZ 4.06Å; Q122-F269 HydrophobicContact CG-CD2 4.1Å; Q122-F269 HydrophobicContact CG-CE1 4.24Å; Q122-F269 HydrophobicContact CG-CE2 3.72Å; Q122-F269 HydrophobicContact CG-CZ 3.79Å; Q122-F269 PolarHBondContact NE2-O 3.44Å; I125-F269 HydrophobicContact CB-CE2 3.75Å; I125-F269 HydrophobicContact CB-CZ 3.86Å; I125-F269 HydrophobicContact CG1-CE2 3.79Å; I125-F269 HydrophobicContact CG1-CZ 4.41Å; I125-F269 HydrophobicContact CG2-CE2 3.86Å; I125-F269 HydrophobicContact CG2-CZ 3.69Å; I263-F269 HydrophobicContact CG2-CD2 4Å; I263-F269 HydrophobicContact CG2-CE2 4.24Å; I263-F269 HydrophobicContact CG2-CG 4.48Å; I263-F269 VanDerWaalsContact O-CB 3.25Å; I263-F269 WeakPolarHBondContact O-CB 3.48Å; I263-F269 WeakPolarHBondContact O-CG 3.37Å; I264-F269 HydrophobicContact CG1-CE1 4.35Å; I264-F269 WeakPolarHBondContact O-CD1 3.46Å; H266-F269 HydrophobicContact CB-CB 4.25Å; H266-F269 WeakPolarHBondContact O-CB 3.48Å; H266-F269 PolarHBondContact O-N 3.36Å; P267-F269 VanDerWaalsContact C-N 3.27Å; P267-F269 PolarHBondContact O-N 3.08Å; F269-V271 VanDerWaalsContact C-N 3.28Å; F269-V271 PolarHBondContact O-N 2.96Å; F269-L273 HydrophobicContact CD1-CD1 4.34Å; F269-L273 HydrophobicContact CD1-CD2 4.23Å; F269-L273 HydrophobicContact CE1-CD1 3.72Å; F269-L273 HydrophobicContact CE1-CD2 4.01Å; F269-L273 HydrophobicContact CZ-CD1 4.27Å; F269-F278 AromaticContact CE1-CE2 3.6Å; F269-F278 HydrophobicContact CE1-CE2 3.6Å; F269-F278 HydrophobicContact CE1-CZ 4.05Å; F269-F278 AromaticContact CZ-CE2 3.71Å; F269-F278 HydrophobicContact CZ-CE2 3.71Å; F269-F278 AromaticContact CZ-CZ 3.84Å; F269-F278 HydrophobicContact CZ-CZ 3.84Å
270Q98.1Very high93.9Very high92 Ų9254.7 Ų54.743%0.4332%0.319SS..Hα-helixtrans-71.5-18.6-178.8-74-70.2-28.100113.9I264 H266 P267 D272 L273I264-Q270 PolarHBondContact O-NE2 3.45Å; H266-Q270 PolarHBondContact O-N 3.01Å; H266-Q270 VanDerWaalsContact O-N 3.09Å; P267-Q270 PolarHBondContact O-N 2.9Å; Q270-D272 PolarHBondContact O-N 3.3Å; Q270-L273 WeakPolarHBondContact O-CB 3.46Å; Q270-L273 PolarHBondContact O-N 3.29Å
271V98.1Very high92.4Very high62 Ų6263.2 Ų63.238%0.37635%0.35SS..THydrogen-bonded Turntrans-62.3126.9177.3-179.30000110.5R118 Q122 F269 L273R118-V271 WeakPolarHBondContact CD-O 3.48Å; Q122-V271 PolarHBondContact NE2-O 3.31Å; F269-V271 VanDerWaalsContact C-N 3.28Å; F269-V271 PolarHBondContact O-N 2.96Å; V271-L273 PolarHBondContact O-N 2.77Å; V271-L273 VanDerWaalsContact O-N 3.09Å
272D96.8Very high90.2Very high122 Ų12265.4 Ų65.465%0.65236%0.362SS*.THydrogen-bonded Turntrans52.826.8179.4-54.9-40.4000114.5Q270 P274Q270-D272 PolarHBondContact O-N 3.3Å; D272-P274 WeakPolarHBondContact O-CD 3.33Å
273L96Very high87.4Confident40 Ų4068.8 Ų68.821%0.20938%0.376CS..  trans-69.9116.5-175.4179.763.9000111.7Q122 F269 Q270 V271 A275 L277 F278Q122-L273 HydrophobicContact CB-CD1 4.13Å; Q122-L273 HydrophobicContact CG-CD1 3.79Å; F269-L273 HydrophobicContact CD1-CD1 4.34Å; F269-L273 HydrophobicContact CD1-CD2 4.23Å; F269-L273 HydrophobicContact CE1-CD1 3.72Å; F269-L273 HydrophobicContact CE1-CD2 4.01Å; F269-L273 HydrophobicContact CZ-CD1 4.27Å; Q270-L273 WeakPolarHBondContact O-CB 3.46Å; Q270-L273 PolarHBondContact O-N 3.29Å; V271-L273 PolarHBondContact O-N 2.77Å; V271-L273 VanDerWaalsContact O-N 3.09Å; L273-A275 PolarHBondContact O-N 2.82Å; L273-L277 HydrophobicContact CD1-CD1 3.9Å; L273-F278 HydrophobicContact CD1-CD2 4.23Å; L273-F278 HydrophobicContact CD1-CE2 4.01Å; L273-F278 HydrophobicContact CD2-CD2 4.21Å
274P93.9Very high84.6Confident47 Ų4776.9 Ų76.931%0.30541%0.413SS..  trans-68.6129177.1-20.834.4000112.2D272 Y276 L277D272-P274 WeakPolarHBondContact O-CD 3.33Å; P274-Y276 HydrophobicContact CB-CD1 3.57Å; P274-Y276 HydrophobicContact CB-CE1 3.46Å; P274-Y276 VanDerWaalsContact CB-CE1 3.46Å; P274-Y276 HydrophobicContact CG-CE1 4.18Å; P274-Y276 PolarHBondContact O-N 2.99Å; P274-Y276 VanDerWaalsContact O-N 3.09Å; P274-L277 HydrophobicContact CB-CD1 4.49Å; P274-L277 HydrophobicContact CB-CG 4.38Å; P274-L277 HydrophobicContact CG-CD1 4.3Å; P274-L277 WeakPolarHBondContact O-CB 3.32Å; P274-L277 PolarHBondContact O-N 3.4Å; P274-L277 VanDerWaalsContact O-N 3.12Å
275A90Very high81.9Confident90 Ų9084.2 Ų84.274%0.74445%0.447SS*.G310 helixtrans-56.9-30.3-176.400000114.4L273 L277 F278L273-A275 PolarHBondContact O-N 2.82Å; A275-L277 PolarHBondContact O-N 2.91Å; A275-F278 PolarHBondContact O-N 2.88Å
276Y91.5Very high79.7Confident106 Ų10686.7 Ų86.742%0.41646%0.455SS..G310 helixtrans-67.6-16.7-178.582.3-90.1000114.2P75 H76 P274 F278P75-Y276 HydrophobicContact CB-CE2 4.39Å; P75-Y276 HydrophobicContact CG-CD2 4.32Å; P75-Y276 HydrophobicContact CG-CE2 4.09Å; H76-Y276 AromaticContact NE2-CE2 3.53Å; H76-Y276 AromaticContact NE2-CZ 3.78Å; H76-Y276 PolarHBondContact NE2-OH 2.85Å; P274-Y276 HydrophobicContact CB-CD1 3.57Å; P274-Y276 HydrophobicContact CB-CE1 3.46Å; P274-Y276 VanDerWaalsContact CB-CE1 3.46Å; P274-Y276 HydrophobicContact CG-CE1 4.18Å; P274-Y276 PolarHBondContact O-N 2.99Å; P274-Y276 VanDerWaalsContact O-N 3.09Å; Y276-F278 VanDerWaalsContact C-N 3.34Å
277L91.9Very high77.8Confident5 Ų591.7 Ų91.73%0.02649%0.486CS..G310 helixtrans-72.6-29.2-178.6-69.7-177.6000112.6H76 Q122 Q123 S126 L273 P274 A275H76-L277 VanDerWaalsContact CD2-CD2 3.49Å; H76-L277 WeakPolarHBondContact CD2-CD2 3.18Å; H76-L277 WeakPolarHBondContact NE2-CD2 3.25Å; Q122-L277 HydrophobicContact CB-CD1 3.69Å; Q123-L277 HydrophobicContact CG-CD2 4.32Å; S126-L277 PolarHBondContact OG-O 2.97Å; L273-L277 HydrophobicContact CD1-CD1 3.9Å; P274-L277 HydrophobicContact CB-CD1 4.49Å; P274-L277 HydrophobicContact CB-CG 4.38Å; P274-L277 HydrophobicContact CG-CD1 4.3Å; P274-L277 WeakPolarHBondContact O-CB 3.32Å; P274-L277 PolarHBondContact O-N 3.4Å; P274-L277 VanDerWaalsContact O-N 3.12Å; A275-L277 PolarHBondContact O-N 2.91Å
278F88.8Confident76.4Confident37 Ų3791 Ų9116%0.16248%0.48CS..SBendtrans-137.669.5-179.4-57.7-78.8000109.7I125 D129 I264 F269 L273 A275 Y276I125-F278 HydrophobicContact CG2-CE1 4.45Å; I125-F278 HydrophobicContact CG2-CZ 3.88Å; D129-F278 HydrophobicContact CB-CE1 4.09Å; I264-F278 HydrophobicContact CD1-CD1 3.73Å; I264-F278 HydrophobicContact CD1-CE1 3.4Å; I264-F278 HydrophobicContact CD1-CZ 4.01Å; I264-F278 HydrophobicContact CG1-CD1 4.34Å; I264-F278 HydrophobicContact CG1-CE1 3.79Å; I264-F278 HydrophobicContact CG1-CE2 4.43Å; I264-F278 HydrophobicContact CG1-CZ 3.85Å; F269-F278 AromaticContact CE1-CE2 3.6Å; F269-F278 HydrophobicContact CE1-CE2 3.6Å; F269-F278 HydrophobicContact CE1-CZ 4.05Å; F269-F278 AromaticContact CZ-CE2 3.71Å; F269-F278 HydrophobicContact CZ-CE2 3.71Å; F269-F278 AromaticContact CZ-CZ 3.84Å; F269-F278 HydrophobicContact CZ-CZ 3.84Å; L273-F278 HydrophobicContact CD1-CD2 4.23Å; L273-F278 HydrophobicContact CD1-CE2 4.01Å; L273-F278 HydrophobicContact CD2-CD2 4.21Å; A275-F278 PolarHBondContact O-N 2.88Å; Y276-F278 VanDerWaalsContact C-N 3.34Å
279P78.5Confident75.5Confident59 Ų5993.4 Ų93.438%0.38349%0.494SS..  trans-62.6151.2179.827.7-34.4000110.7R281P279-R281 PolarHBondContact O-N 2.93Å
280P73.6Confident74.6Confident88 Ų8895.2 Ų95.257%0.57151%0.512SS*.  trans-52.8140.5169.7-22.532.9000110.4N282 E283P280-N282 PolarHBondContact O-N 3.41Å; P280-E283 PolarHBondContact O-N 3.49Å
281R63.7Low74Confident195 Ų19597.2 Ų97.274%0.73652%0.521SS*.THydrogen-bonded Turntrans-58.7-7.2-168.3-70.4-177176.4179.4-1.6116.1P279P279-R281 PolarHBondContact O-N 2.93Å
282N50Low73.3Confident154 Ų15494.2 Ų94.282%0.82450%0.503SS*.THydrogen-bonded Turntrans-108.6-0.3-171.3-66.3-6.6000114.6P280 H284P280-N282 PolarHBondContact O-N 3.41Å; N282-H284 PolarHBondContact O-N 3.1Å
283E38.7Very low72.8Confident137 Ų13788.8 Ų88.864%0.6447%0.474SS*.  trans-97.376.7-176.7-68.8179.3-173.200111.7P280P280-E283 PolarHBondContact O-N 3.49Å
284H39.2Very low72.3Confident169 Ų16993.1 Ų93.178%0.78249%0.493SS*.  trans-108.274.2161.7-74.1-56.2000109.3N282N282-H284 PolarHBondContact O-N 3.1Å
285E41.1Very low72Confident178 Ų17893.3 Ų93.383%0.83249%0.49SS*.  trans-104.1103.9170.2-73.5-170.4164.800110.4V287E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 3.48Å
286T50.4Low71.9Confident124 Ų12489 Ų8976%0.76146%0.455SS*.  trans-75.181.1168.646.10000109.5V288T286-V288 PolarHBondContact O-N 2.8Å
287V58.7Low71.8Confident126 Ų12685 Ų8576%0.76444%0.442SS*.  trans-72.6117.3164.9-1770000107.7E285 D289E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 3.48Å; V287-D289 PolarHBondContact O-N 2.87Å
288V69.5Low71.6Confident76 Ų7692.9 Ų92.946%0.46148%0.478SS..  trans-75.4120.6177.3-178.20000109T286 G290 I293 L311 Y324T286-V288 PolarHBondContact O-N 2.8Å; V288-G290 PolarHBondContact O-N 2.76Å; V288-I293 HydrophobicContact CG1-CD1 3.52Å; V288-I293 HydrophobicContact CG1-CG1 4.24Å; V288-L311 HydrophobicContact CG1-CD1 3.98Å; V288-Y324 HydrophobicContact CG1-CE2 4.27Å
289D78.5Confident71.4Confident55 Ų5594.6 Ų94.629%0.29449%0.486SS..  trans-69.6111.8176.4-177.8-37000111.2V287 Q291 A292 I293 Y324 I328 K331V287-D289 PolarHBondContact O-N 2.87Å; D289-Q291 WeakPolarHBondContact OD1-CA 3.5Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.26Å; D289-Q291 PolarHBondContact OD1-N 2.99Å; D289-A292 HydrophobicContact CB-CB 4.01Å; D289-A292 PolarHBondContact O-N 3.18Å; D289-A292 PolarHBondContact OD1-N 2.72Å; D289-I293 PolarHBondContact O-N 3.05Å; D289-Y324 PolarHBondContact N-OH 3.38Å; D289-I328 HydrophobicContact CB-CD1 3.5Å; D289-K331 IonicContact OD1-NZ 3.33Å
290G80.1Confident71.6Confident37 Ų3794.1 Ų94.138%0.38148%0.478SS..Hα-helixtrans-66.8-34.6-179.600000114.2V288 A292 I293 E294V288-G290 PolarHBondContact O-N 2.76Å; G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 2.75Å; G290-I293 WeakPolarHBondContact O-CB 3.15Å; G290-I293 PolarHBondContact O-N 3.49Å; G290-E294 PolarHBondContact O-N 3.02Å
291Q84.6Confident72.1Confident134 Ų13493.5 Ų93.563%0.62649%0.487SS*.Hα-helixtrans-68.2-32.1177.2-66.3-179.8-3.900111.4D289 I293 E295D289-Q291 WeakPolarHBondContact OD1-CA 3.5Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.26Å; D289-Q291 PolarHBondContact OD1-N 2.99Å; Q291-I293 VanDerWaalsContact C-N 3.33Å; Q291-E295 PolarHBondContact O-N 3.4Å; Q291-E295 VanDerWaalsContact O-N 3.11Å
292A84.4Confident73Confident0 Ų085.6 Ų85.60%046%0.462CS..Hα-helixtrans-69.8-33.1175.100000111.8D289 G290 L296 Y324 I327 I328 K331D289-A292 HydrophobicContact CB-CB 4.01Å; D289-A292 PolarHBondContact O-N 3.18Å; D289-A292 PolarHBondContact OD1-N 2.72Å; G290-A292 VanDerWaalsContact C-N 3.28Å; G290-A292 PolarHBondContact O-N 2.75Å; A292-L296 WeakPolarHBondContact O-CB 3.43Å; A292-L296 PolarHBondContact O-N 3.09Å; A292-Y324 HydrophobicContact CB-CD2 4.15Å; A292-Y324 HydrophobicContact CB-CE2 3.73Å; A292-I327 HydrophobicContact CB-CG2 3.74Å; A292-I328 HydrophobicContact CB-CD1 3.41Å; A292-I328 VanDerWaalsContact CB-CD1 3.41Å; A292-I328 HydrophobicContact CB-CG1 4.31Å; A292-K331 VanDerWaalsContact N-NZ 3.17Å
293I85.7Confident74.7Confident8 Ų880 Ų804%0.04144%0.44CS..Hα-helixtrans-65.6-48171.7-67.3179000110.6V288 D289 G290 Q291 E295 L296 C297 Q304 V307 L311 Y324V288-I293 HydrophobicContact CG1-CD1 3.52Å; V288-I293 HydrophobicContact CG1-CG1 4.24Å; D289-I293 PolarHBondContact O-N 3.05Å; G290-I293 WeakPolarHBondContact O-CB 3.15Å; G290-I293 PolarHBondContact O-N 3.49Å; Q291-I293 VanDerWaalsContact C-N 3.33Å; I293-E295 VanDerWaalsContact C-N 3.34Å; I293-E295 PolarHBondContact O-N 3.22Å; I293-L296 WeakPolarHBondContact O-CB 3.39Å; I293-L296 PolarHBondContact O-N 2.91Å; I293-L296 VanDerWaalsContact O-N 3.09Å; I293-C297 PolarHBondContact O-N 3.3Å; I293-C297 PolarHBondContact O-SG 3.3Å; I293-Q304 HydrophobicContact CG2-CB 4.43Å; I293-Q304 HydrophobicContact CG2-CG 3.9Å; I293-V307 HydrophobicContact CB-CG1 4.47Å; I293-V307 HydrophobicContact CG1-CG1 4.02Å; I293-V307 HydrophobicContact CG2-CB 4.26Å; I293-V307 HydrophobicContact CG2-CG1 4.07Å; I293-L311 HydrophobicContact CD1-CD1 4.25Å; I293-L311 HydrophobicContact CG1-CD1 4.44Å; I293-Y324 HydrophobicContact CG1-CD2 4.28Å; I293-Y324 HydrophobicContact CG1-CE2 3.97Å
294E86.5Confident76.9Confident131 Ų13179.1 Ų79.161%0.61244%0.436SS*.Hα-helixtrans-57.2-46.4178.5-73.1173.5-170.600112G290 L296 C297 Q298G290-E294 PolarHBondContact O-N 3.02Å; E294-L296 VanDerWaalsContact C-N 3.29Å; E294-L296 PolarHBondContact O-N 3.4Å; E294-C297 PolarHBondContact O-N 2.89Å; E294-Q298 PolarHBondContact O-N 2.85Å
295E86.8Confident79Confident51 Ų5179 Ų7924%0.23844%0.436CS..Hα-helixtrans-60.3-40.5175.7-172.7-174.5155.400111.7Q291 I293 Q298 K299 I327Q291-E295 PolarHBondContact O-N 3.4Å; Q291-E295 VanDerWaalsContact O-N 3.11Å; I293-E295 VanDerWaalsContact C-N 3.34Å; I293-E295 PolarHBondContact O-N 3.22Å; E295-Q298 PolarHBondContact O-N 3.41Å; E295-K299 HydrophobicContact CG-CD 4.27Å; E295-K299 WeakPolarHBondContact O-CB 3.3Å; E295-K299 WeakPolarHBondContact O-CG 3.43Å; E295-K299 PolarHBondContact O-N 3.47Å; E295-K299 WeakPolarHBondContact OE1-CE 3.36Å; E295-K299 IonicContact OE1-NZ 3.69Å; E295-K299 PolarHBondContact OE1-NZ 2.87Å; E295-I327 HydrophobicContact CB-CD1 4.45Å; E295-I327 HydrophobicContact CG-CD1 4.28Å; E295-I327 WeakPolarHBondContact OE2-CG2 3.46Å
296L88.5Confident81.2Confident0 Ų074.8 Ų74.80%042%0.419CS..Hα-helixtrans-66.9-45.4178.4-172.369.1000111.9A292 I293 E294 Q298 K299 F300 V307 L320 A323 I327A292-L296 WeakPolarHBondContact O-CB 3.43Å; A292-L296 PolarHBondContact O-N 3.09Å; I293-L296 WeakPolarHBondContact O-CB 3.39Å; I293-L296 PolarHBondContact O-N 2.91Å; I293-L296 VanDerWaalsContact O-N 3.09Å; E294-L296 VanDerWaalsContact C-N 3.29Å; E294-L296 PolarHBondContact O-N 3.4Å; L296-Q298 VanDerWaalsContact C-N 3.28Å; L296-Q298 PolarHBondContact O-N 3.08Å; L296-K299 PolarHBondContact O-N 3.07Å; L296-F300 HydrophobicContact CD1-CD2 3.38Å; L296-F300 HydrophobicContact CD1-CE2 3.38Å; L296-F300 HydrophobicContact CD1-CG 4.43Å; L296-F300 HydrophobicContact CD1-CZ 4.42Å; L296-F300 HydrophobicContact CG-CD2 4.07Å; L296-F300 HydrophobicContact CG-CE2 4.48Å; L296-F300 WeakPolarHBondContact O-CB 3.36Å; L296-F300 PolarHBondContact O-N 2.87Å; L296-V307 HydrophobicContact CD2-CB 4.36Å; L296-V307 HydrophobicContact CD2-CG1 3.64Å; L296-V307 HydrophobicContact CD2-CG2 3.77Å; L296-V307 HydrophobicContact CG-CG2 4.26Å; L296-L320 HydrophobicContact CD2-CB 4.27Å; L296-L320 HydrophobicContact CD2-CD2 4.32Å; L296-L320 WeakPolarHBondContact CD2-O 3.36Å; L296-A323 HydrophobicContact CD1-CB 3.39Å; L296-I327 HydrophobicContact CB-CD1 3.89Å; L296-I327 HydrophobicContact CD1-CD1 3.81Å; L296-I327 HydrophobicContact CG-CD1 4.46Å
297C88.9Confident82.8Confident22 Ų2268.9 Ų68.915%0.14938%0.383CS..Hα-helixtrans-57.7-43.5176.1-680000110.9I293 E294 G301 C302I293-C297 PolarHBondContact O-N 3.3Å; I293-C297 PolarHBondContact O-SG 3.3Å; E294-C297 PolarHBondContact O-N 2.89Å; C297-G301 WeakPolarHBondContact O-CA 3.14Å; C297-G301 PolarHBondContact O-N 3.3Å; C297-C302 WeakPolarHBondContact CB-O 3.27Å; C297-C302 PolarHBondContact O-N 2.68Å
298Q87.5Confident84Confident169 Ų16965.2 Ų65.279%0.7936%0.361SS*.Hα-helixtrans-63.8-41.6176.8-169.6-178.219.500112.3E294 E295 L296E294-Q298 PolarHBondContact O-N 2.85Å; E295-Q298 PolarHBondContact O-N 3.41Å; L296-Q298 VanDerWaalsContact C-N 3.28Å; L296-Q298 PolarHBondContact O-N 3.08Å
299K85.4Confident84.7Confident73 Ų7364.5 Ų64.532%0.31736%0.363SS..Hα-helixtrans-75.2-31.9-178.3-75.9179.8173.2172.80113.8I38 T39 E295 L296I38-K299 HydrophobicContact CG2-CB 3.99Å; T39-K299 HydrophobicContact CG2-CD 4.49Å; T39-K299 PolarHBondContact O-NZ 3.38Å; E295-K299 HydrophobicContact CG-CD 4.27Å; E295-K299 WeakPolarHBondContact O-CB 3.3Å; E295-K299 WeakPolarHBondContact O-CG 3.43Å; E295-K299 PolarHBondContact O-N 3.47Å; E295-K299 WeakPolarHBondContact OE1-CE 3.36Å; E295-K299 IonicContact OE1-NZ 3.69Å; E295-K299 PolarHBondContact OE1-NZ 2.87Å; L296-K299 PolarHBondContact O-N 3.07Å
300F82Confident85Confident49 Ų4962.1 Ų62.122%0.21535%0.351CS..Hα-helixtrans-100.3-12.1-178-81.7-101.2000114.1I38 L296 C302 L320 A323I38-F300 HydrophobicContact CB-CE2 4.22Å; I38-F300 HydrophobicContact CB-CZ 4.21Å; I38-F300 HydrophobicContact CD1-CD1 4.21Å; I38-F300 HydrophobicContact CD1-CE1 3.49Å; I38-F300 VanDerWaalsContact CD1-CE1 3.49Å; I38-F300 HydrophobicContact CD1-CE2 4.28Å; I38-F300 HydrophobicContact CD1-CZ 3.53Å; I38-F300 HydrophobicContact CG1-CZ 4.47Å; I38-F300 HydrophobicContact CG2-CD2 3.81Å; I38-F300 HydrophobicContact CG2-CE1 4.49Å; I38-F300 HydrophobicContact CG2-CE2 3.48Å; I38-F300 VanDerWaalsContact CG2-CE2 3.48Å; I38-F300 HydrophobicContact CG2-CG 4.44Å; I38-F300 HydrophobicContact CG2-CZ 3.88Å; L296-F300 HydrophobicContact CD1-CD2 3.38Å; L296-F300 HydrophobicContact CD1-CE2 3.38Å; L296-F300 HydrophobicContact CD1-CG 4.43Å; L296-F300 HydrophobicContact CD1-CZ 4.42Å; L296-F300 HydrophobicContact CG-CD2 4.07Å; L296-F300 HydrophobicContact CG-CE2 4.48Å; L296-F300 WeakPolarHBondContact O-CB 3.36Å; L296-F300 PolarHBondContact O-N 2.87Å; F300-C302 VanDerWaalsContact C-N 3.26Å; F300-C302 PolarHBondContact O-N 3.21Å; F300-L320 HydrophobicContact CB-CD2 4.22Å; F300-L320 HydrophobicContact CD1-CD2 3.77Å; F300-L320 HydrophobicContact CD2-CD2 4.4Å; F300-L320 HydrophobicContact CE1-CD2 4.2Å; F300-L320 HydrophobicContact CG-CD2 3.88Å; F300-A323 HydrophobicContact CE2-CB 3.52Å; F300-A323 HydrophobicContact CZ-CB 3.6Å
301G83.1Confident85.1Confident75 Ų7562.5 Ų62.577%0.77334%0.344SS*.THydrogen-bonded Turntrans63.631-174.900000113.2C297C297-G301 WeakPolarHBondContact O-CA 3.14Å; C297-G301 PolarHBondContact O-N 3.3Å
302C83.6Confident84.9Confident30 Ų3062.8 Ų62.820%0.20335%0.349CS..  trans-110.6160.4-179.463.10000111.6C297 F300 D306C297-C302 WeakPolarHBondContact CB-O 3.27Å; C297-C302 PolarHBondContact O-N 2.68Å; F300-C302 VanDerWaalsContact C-N 3.26Å; F300-C302 PolarHBondContact O-N 3.21Å; C302-D306 HydrophobicContact CB-CB 4.25Å
303G84.5Confident84.7Confident35 Ų3566 Ų6636%0.36137%0.372SS..  trans-74.2154177.500000111.8E305 D306 V307G303-E305 PolarHBondContact O-N 3.2Å; G303-D306 PolarHBondContact N-OD2 3.43Å; G303-D306 WeakPolarHBondContact O-CB 3.41Å; G303-D306 PolarHBondContact O-N 3.49Å; G303-V307 PolarHBondContact O-N 3Å
304Q86.2Confident84Confident119 Ų11968.8 Ų68.856%0.55640%0.402SS*.Hα-helixtrans-57.1-30.9172.1174.6165.7-0.400112.1I293 T308I293-Q304 HydrophobicContact CG2-CB 4.43Å; I293-Q304 HydrophobicContact CG2-CG 3.9Å; Q304-T308 VanDerWaalsContact O-CB 3.32Å; Q304-T308 WeakPolarHBondContact O-CB 3.38Å; Q304-T308 PolarHBondContact O-N 2.82Å; Q304-T308 PolarHBondContact O-OG1 3.19Å
305E83.6Confident83.5Confident167 Ų16765.9 Ų65.978%0.7839%0.391SS*.Hα-helixtrans-62.8-41.1175.1-61.7-175.5-173.500112.1G303 T308 A309G303-E305 PolarHBondContact O-N 3.2Å; E305-T308 PolarHBondContact O-N 3.47Å; E305-A309 WeakPolarHBondContact O-CB 3.29Å; E305-A309 PolarHBondContact O-N 2.92Å
306D86.5Confident82.8Confident90 Ų9066.4 Ų66.448%0.48140%0.398SS..Hα-helixtrans-65.2-44179.6-59.3-44.7000111.3C302 G303 A310 L320C302-D306 HydrophobicContact CB-CB 4.25Å; G303-D306 PolarHBondContact N-OD2 3.43Å; G303-D306 WeakPolarHBondContact O-CB 3.41Å; G303-D306 PolarHBondContact O-N 3.49Å; D306-A310 VanDerWaalsContact O-CB 3.3Å; D306-A310 WeakPolarHBondContact O-CB 3.49Å; D306-A310 PolarHBondContact O-N 3.37Å; D306-L320 HydrophobicContact CB-CD1 4.29Å
307V84.3Confident82.2Confident0 Ų070.1 Ų70.10%042%0.415CS..Hα-helixtrans-64.5-45.11771770000110.6I293 L296 G303 A310 L311 L320I293-V307 HydrophobicContact CB-CG1 4.47Å; I293-V307 HydrophobicContact CG1-CG1 4.02Å; I293-V307 HydrophobicContact CG2-CB 4.26Å; I293-V307 HydrophobicContact CG2-CG1 4.07Å; L296-V307 HydrophobicContact CD2-CB 4.36Å; L296-V307 HydrophobicContact CD2-CG1 3.64Å; L296-V307 HydrophobicContact CD2-CG2 3.77Å; L296-V307 HydrophobicContact CG-CG2 4.26Å; G303-V307 PolarHBondContact O-N 3Å; V307-A310 WeakPolarHBondContact O-CB 3.34Å; V307-A310 PolarHBondContact O-N 3.24Å; V307-L311 HydrophobicContact CG1-CD1 3.97Å; V307-L311 HydrophobicContact CG1-CG 4.47Å; V307-L311 WeakPolarHBondContact O-CG 3.27Å; V307-L311 PolarHBondContact O-N 3.48Å; V307-L320 HydrophobicContact CG2-CD1 4.27Å
308T83.5Confident82Confident49 Ų4971.9 Ų71.930%0.30142%0.422SS..Hα-helixtrans-65.8-44.5-179.6-54.50000110.6Q304 E305 A310 L311 L312Q304-T308 VanDerWaalsContact O-CB 3.32Å; Q304-T308 WeakPolarHBondContact O-CB 3.38Å; Q304-T308 PolarHBondContact O-N 2.82Å; Q304-T308 PolarHBondContact O-OG1 3.19Å; E305-T308 PolarHBondContact O-N 3.47Å; T308-A310 VanDerWaalsContact C-N 3.31Å; T308-A310 PolarHBondContact O-N 2.88Å; T308-L311 PolarHBondContact O-N 3.03Å; T308-L312 HydrophobicContact CG2-CD1 3.84Å; T308-L312 HydrophobicContact CG2-CG 4.3Å; T308-L312 WeakPolarHBondContact O-CB 3.49Å; T308-L312 VanDerWaalsContact O-CG 3.24Å; T308-L312 WeakPolarHBondContact O-CG 3.49Å; T308-L312 PolarHBondContact O-N 3.28Å
309A84.5Confident81.9Confident61 Ų6168.1 Ų68.150%0.50440%0.404SS..Hα-helixtrans-60.3-41.1174.800000111.6E305 L312 S313E305-A309 WeakPolarHBondContact O-CB 3.29Å; E305-A309 PolarHBondContact O-N 2.92Å; A309-L312 PolarHBondContact O-N 3.33Å; A309-S313 WeakPolarHBondContact O-CB 3.44Å; A309-S313 PolarHBondContact O-N 2.96Å
310A85.1Confident82.1Confident5 Ų565 Ų654%0.04139%0.391CS..Hα-helixtrans-63.3-45.1175.300000112.4D306 V307 T308 S313 H318 L320 V321D306-A310 VanDerWaalsContact O-CB 3.3Å; D306-A310 WeakPolarHBondContact O-CB 3.49Å; D306-A310 PolarHBondContact O-N 3.37Å; V307-A310 WeakPolarHBondContact O-CB 3.34Å; V307-A310 PolarHBondContact O-N 3.24Å; T308-A310 VanDerWaalsContact C-N 3.31Å; T308-A310 PolarHBondContact O-N 2.88Å; A310-S313 WeakPolarHBondContact O-CB 3.42Å; A310-S313 PolarHBondContact O-N 3.1Å; A310-S313 PolarHBondContact O-OG 3.28Å; A310-H318 WeakPolarHBondContact CB-ND1 3.44Å; A310-L320 HydrophobicContact CB-CB 3.96Å; A310-L320 HydrophobicContact CB-CD1 4.11Å; A310-V321 HydrophobicContact CB-CG2 4.16Å; A310-V321 VanDerWaalsContact O-CG2 3.27Å; A310-V321 WeakPolarHBondContact O-CG2 3.32Å
311L81.5Confident82.2Confident45 Ų4563.3 Ų63.324%0.23638%0.384CS..Hα-helixtrans-64.4-39.7176.9-70.8168.8000112V288 I293 V307 T308 V321 Y324V288-L311 HydrophobicContact CG1-CD1 3.98Å; I293-L311 HydrophobicContact CD1-CD1 4.25Å; I293-L311 HydrophobicContact CG1-CD1 4.44Å; V307-L311 HydrophobicContact CG1-CD1 3.97Å; V307-L311 HydrophobicContact CG1-CG 4.47Å; V307-L311 WeakPolarHBondContact O-CG 3.27Å; V307-L311 PolarHBondContact O-N 3.48Å; T308-L311 PolarHBondContact O-N 3.03Å; L311-V321 HydrophobicContact CD2-CG1 4.37Å; L311-V321 HydrophobicContact CD2-CG2 4.14Å; L311-Y324 HydrophobicContact CD1-CD2 4.2Å; L311-Y324 HydrophobicContact CD1-CE2 4.28Å; L311-Y324 HydrophobicContact CD1-CG 4.31Å; L311-Y324 HydrophobicContact CD2-CD1 3.63Å; L311-Y324 HydrophobicContact CD2-CE1 4.13Å; L311-Y324 HydrophobicContact CD2-CG 3.89Å
312L80.1Confident82.3Confident140 Ų14060 Ų6073%0.73335%0.348SS*.Hα-helixtrans-75.6-21.3178-68.6175.7000113.6T308 A309 G314T308-L312 HydrophobicContact CG2-CD1 3.84Å; T308-L312 HydrophobicContact CG2-CG 4.3Å; T308-L312 WeakPolarHBondContact O-CB 3.49Å; T308-L312 VanDerWaalsContact O-CG 3.24Å; T308-L312 WeakPolarHBondContact O-CG 3.49Å; T308-L312 PolarHBondContact O-N 3.28Å; A309-L312 PolarHBondContact O-N 3.33Å; L312-G314 PolarHBondContact O-N 3.49Å
313S81.1Confident82.5Confident68 Ų6858.5 Ų58.548%0.47634%0.339SS..THydrogen-bonded Turntrans-60.3-17.3179.774.70000113.7A309 A310 N315A309-S313 WeakPolarHBondContact O-CB 3.44Å; A309-S313 PolarHBondContact O-N 2.96Å; A310-S313 WeakPolarHBondContact O-CB 3.42Å; A310-S313 PolarHBondContact O-N 3.1Å; A310-S313 PolarHBondContact O-OG 3.28Å; S313-N315 PolarHBondContact O-N 3.06Å; S313-N315 VanDerWaalsContact O-N 3.15Å; S313-N315 WeakPolarHBondContact OG-CB 3.48Å; S313-N315 PolarHBondContact OG-N 2.9Å
314G70.1Confident82.7Confident65 Ų6557.9 Ų57.967%0.6733%0.325SS*.THydrogen-bonded Turntrans67.96.4-174.300000113.5L312 P316L312-G314 PolarHBondContact O-N 3.49Å; G314-P316 WeakPolarHBondContact O-CD 3.49Å
315N76.7Confident82.7Confident71 Ų7154.3 Ų54.338%0.3831%0.31SS..  trans-87.1101.1177.7-177.42.1000110.7S313 H317 H318S313-N315 PolarHBondContact O-N 3.06Å; S313-N315 VanDerWaalsContact O-N 3.15Å; S313-N315 WeakPolarHBondContact OG-CB 3.48Å; S313-N315 PolarHBondContact OG-N 2.9Å; N315-H317 PolarHBondContact O-N 2.84Å; N315-H317 VanDerWaalsContact O-N 3.08Å; N315-H317 WeakPolarHBondContact OD1-CB 3.25Å; N315-H317 PolarHBondContact OD1-N 3.46Å; N315-H318 HydrophobicContact CB-CB 4.5Å; N315-H318 PolarHBondContact O-N 3.13Å
316P72Confident82.8Confident62 Ų6246.5 Ų46.540%0.40327%0.274SS..THydrogen-bonded Turntrans-67-12.9-179.630.8-37.7000113.1G314G314-P316 WeakPolarHBondContact O-CD 3.49Å
317H76.8Confident82.9Confident77 Ų7742.2 Ų42.236%0.35625%0.251SS..THydrogen-bonded Turntrans-94.40.8-178.1-58.2-49.5000113.5R70 N315 H319R70-H317 VanDerWaalsContact CZ-CE1 3.45Å; R70-H317 PolarHBondContact NH1-NE2 2.9Å; R70-H317 PolarHBondContact NH2-CE1 2.66Å; N315-H317 PolarHBondContact O-N 2.84Å; N315-H317 VanDerWaalsContact O-N 3.08Å; N315-H317 WeakPolarHBondContact OD1-CB 3.25Å; N315-H317 PolarHBondContact OD1-N 3.46Å; H317-H319 PolarHBondContact O-N 3.3Å
318H83.8Confident82.9Confident60 Ų6044.2 Ų44.228%0.27826%0.261SS..  trans-68.4130.2175.7-164.7-82.9000110.1A310 N315 L320 V321 I322A310-H318 WeakPolarHBondContact CB-ND1 3.44Å; N315-H318 HydrophobicContact CB-CB 4.5Å; N315-H318 PolarHBondContact O-N 3.13Å; H318-L320 VanDerWaalsContact C-N 3.28Å; H318-L320 PolarHBondContact ND1-N 2.89Å; H318-L320 PolarHBondContact O-N 3.08Å; H318-V321 HydrophobicContact CB-CB 4.24Å; H318-V321 HydrophobicContact CB-CG2 3.86Å; H318-V321 WeakPolarHBondContact O-CA 3.46Å; H318-V321 WeakPolarHBondContact O-CB 3.16Å; H318-V321 PolarHBondContact O-N 2.79Å; H318-I322 PolarHBondContact O-N 3.4Å
319H86.2Confident82.6Confident89 Ų8942 Ų4241%0.41225%0.248SC..Hα-helixtrans-55-37.1-176.468.9151000114H317 I322 A323H317-H319 PolarHBondContact O-N 3.3Å; H319-I322 PolarHBondContact O-N 2.89Å; H319-A323 WeakPolarHBondContact O-CB 3.47Å; H319-A323 PolarHBondContact O-N 3.46Å
320L88.1Confident82.4Confident9 Ų941.8 Ų41.85%0.04724%0.238CC..Hα-helixtrans-66.4-36.8173.7-62.7178000112.6L296 F300 D306 V307 A310 H318 A323 Y324L296-L320 HydrophobicContact CD2-CB 4.27Å; L296-L320 HydrophobicContact CD2-CD2 4.32Å; L296-L320 WeakPolarHBondContact CD2-O 3.36Å; F300-L320 HydrophobicContact CB-CD2 4.22Å; F300-L320 HydrophobicContact CD1-CD2 3.77Å; F300-L320 HydrophobicContact CD2-CD2 4.4Å; F300-L320 HydrophobicContact CE1-CD2 4.2Å; F300-L320 HydrophobicContact CG-CD2 3.88Å; D306-L320 HydrophobicContact CB-CD1 4.29Å; V307-L320 HydrophobicContact CG2-CD1 4.27Å; A310-L320 HydrophobicContact CB-CB 3.96Å; A310-L320 HydrophobicContact CB-CD1 4.11Å; H318-L320 VanDerWaalsContact C-N 3.28Å; H318-L320 PolarHBondContact ND1-N 2.89Å; H318-L320 PolarHBondContact O-N 3.08Å; L320-A323 PolarHBondContact O-N 3.41Å; L320-Y324 VanDerWaalsContact O-CB 3.24Å; L320-Y324 WeakPolarHBondContact O-CB 3.35Å; L320-Y324 PolarHBondContact O-N 3.06Å
321V85.3Confident82.2Confident12 Ų1243.5 Ų43.57%0.07325%0.245CC..Hα-helixtrans-67.9-41.8176.9176.30000110.3A310 L311 H318 Y324 N325A310-V321 HydrophobicContact CB-CG2 4.16Å; A310-V321 VanDerWaalsContact O-CG2 3.27Å; A310-V321 WeakPolarHBondContact O-CG2 3.32Å; L311-V321 HydrophobicContact CD2-CG1 4.37Å; L311-V321 HydrophobicContact CD2-CG2 4.14Å; H318-V321 HydrophobicContact CB-CB 4.24Å; H318-V321 HydrophobicContact CB-CG2 3.86Å; H318-V321 WeakPolarHBondContact O-CA 3.46Å; H318-V321 WeakPolarHBondContact O-CB 3.16Å; H318-V321 PolarHBondContact O-N 2.79Å; V321-Y324 PolarHBondContact O-N 3.38Å; V321-N325 VanDerWaalsContact O-CG 3.25Å; V321-N325 PolarHBondContact O-N 2.79Å; V321-N325 PolarHBondContact O-ND2 2.85Å
322I84.7Confident81.8Confident5 Ų546.9 Ų46.93%0.02625%0.254CS..Hα-helixtrans-62.4-49.4175.5-65161.7000110.2Y17 E82 H318 H319 Y324 N325 L326Y17-I322 WeakPolarHBondContact OH-CG2 3.48Å; E82-I322 HydrophobicContact CB-CD1 3.84Å; E82-I322 HydrophobicContact CB-CG1 4.47Å; E82-I322 HydrophobicContact CG-CD1 4.35Å; H318-I322 PolarHBondContact O-N 3.4Å; H319-I322 PolarHBondContact O-N 2.89Å; I322-Y324 VanDerWaalsContact C-N 3.35Å; I322-Y324 PolarHBondContact O-N 3.19Å; I322-N325 PolarHBondContact O-N 3.09Å; I322-L326 HydrophobicContact CG2-CD1 4.22Å; I322-L326 WeakPolarHBondContact O-CG 3.3Å; I322-L326 PolarHBondContact O-N 2.91Å
323A88Confident81.3Confident0 Ų042.2 Ų42.20%023%0.23CC..Hα-helixtrans-63.5-38.9179.100000112.7T39 L296 F300 H319 L320 L326 I327T39-A323 HydrophobicContact CG2-CB 4.33Å; L296-A323 HydrophobicContact CD1-CB 3.39Å; F300-A323 HydrophobicContact CE2-CB 3.52Å; F300-A323 HydrophobicContact CZ-CB 3.6Å; H319-A323 WeakPolarHBondContact O-CB 3.47Å; H319-A323 PolarHBondContact O-N 3.46Å; L320-A323 PolarHBondContact O-N 3.41Å; A323-L326 PolarHBondContact O-N 2.89Å; A323-I327 WeakPolarHBondContact O-CG1 3.35Å; A323-I327 PolarHBondContact O-N 3.25Å
324Y89Confident80.8Confident21 Ų2141.6 Ų41.68%0.08223%0.228CC..Hα-helixtrans-57.6-51.8171176.3-96.8000111.4V288 D289 A292 I293 L311 L320 V321 I322 L326 I327 I328V288-Y324 HydrophobicContact CG1-CE2 4.27Å; D289-Y324 PolarHBondContact N-OH 3.38Å; A292-Y324 HydrophobicContact CB-CD2 4.15Å; A292-Y324 HydrophobicContact CB-CE2 3.73Å; I293-Y324 HydrophobicContact CG1-CD2 4.28Å; I293-Y324 HydrophobicContact CG1-CE2 3.97Å; L311-Y324 HydrophobicContact CD1-CD2 4.2Å; L311-Y324 HydrophobicContact CD1-CE2 4.28Å; L311-Y324 HydrophobicContact CD1-CG 4.31Å; L311-Y324 HydrophobicContact CD2-CD1 3.63Å; L311-Y324 HydrophobicContact CD2-CE1 4.13Å; L311-Y324 HydrophobicContact CD2-CG 3.89Å; L320-Y324 VanDerWaalsContact O-CB 3.24Å; L320-Y324 WeakPolarHBondContact O-CB 3.35Å; L320-Y324 PolarHBondContact O-N 3.06Å; V321-Y324 PolarHBondContact O-N 3.38Å; I322-Y324 VanDerWaalsContact C-N 3.35Å; I322-Y324 PolarHBondContact O-N 3.19Å; Y324-L326 VanDerWaalsContact C-N 3.29Å; Y324-L326 PolarHBondContact O-N 2.85Å; Y324-I327 WeakPolarHBondContact O-CA 3.16Å; Y324-I327 WeakPolarHBondContact O-CB 3.47Å; Y324-I327 PolarHBondContact O-N 3.03Å; Y324-I328 HydrophobicContact CD1-CG1 4.05Å; Y324-I328 HydrophobicContact CE1-CD1 4.14Å; Y324-I328 HydrophobicContact CE1-CG1 3.61Å; Y324-I328 HydrophobicContact CE2-CD1 4.01Å; Y324-I328 HydrophobicContact CE2-CG1 4.16Å; Y324-I328 WeakPolarHBondContact O-CG1 3.46Å; Y324-I328 PolarHBondContact O-N 3.5Å
325N85.2Confident80.9Confident45 Ų4543.3 Ų43.324%0.24122%0.222CC..Hα-helixtrans-59.8-40178.9-69.9-36000112V321 I322 I327 I328 D329V321-N325 VanDerWaalsContact O-CG 3.25Å; V321-N325 PolarHBondContact O-N 2.79Å; V321-N325 PolarHBondContact O-ND2 2.85Å; I322-N325 PolarHBondContact O-N 3.09Å; N325-I327 VanDerWaalsContact C-N 3.3Å; N325-I327 PolarHBondContact O-N 2.93Å; N325-I328 PolarHBondContact O-N 3.25Å; N325-D329 WeakPolarHBondContact O-CB 3.37Å; N325-D329 PolarHBondContact O-N 2.8Å
326L86.9Confident79.9Confident2 Ų241 Ų411%0.0121%0.213CC..Hα-helixtrans-60.4-38.7173.4-71173.3000111.8Y17 H36 H41 V43 Y81 I322 A323 Y324 N330Y17-L326 HydrophobicContact CE1-CD1 4.34Å; H36-L326 HydrophobicContact CB-CD1 4.15Å; H41-L326 PolarHBondContact CE1-O 3.44Å; H41-L326 VanDerWaalsContact CE1-O 3.24Å; H41-L326 VanDerWaalsContact ND1-C 3.27Å; H41-L326 PolarHBondContact ND1-O 3.45Å; V43-L326 HydrophobicContact CG1-CD2 3.8Å; Y81-L326 HydrophobicContact CD1-CD2 4.35Å; Y81-L326 HydrophobicContact CD2-CD2 3.61Å; Y81-L326 HydrophobicContact CE1-CD2 4.22Å; Y81-L326 HydrophobicContact CE2-CD2 3.43Å; Y81-L326 VanDerWaalsContact CE2-CD2 3.43Å; Y81-L326 HydrophobicContact CG-CD2 4.07Å; I322-L326 HydrophobicContact CG2-CD1 4.22Å; I322-L326 WeakPolarHBondContact O-CG 3.3Å; I322-L326 PolarHBondContact O-N 2.91Å; A323-L326 PolarHBondContact O-N 2.89Å; Y324-L326 VanDerWaalsContact C-N 3.29Å; Y324-L326 PolarHBondContact O-N 2.85Å; L326-N330 PolarHBondContact O-N 2.81Å; L326-N330 VanDerWaalsContact O-N 3.14Å
327I87Confident78.8Confident1 Ų141.8 Ų41.81%0.00522%0.217CC..Hα-helixtrans-66.2-49.3176.6-68.3167.5000111.8T39 A292 E295 L296 A323 Y324 N325 D329 N330 K331T39-I327 HydrophobicContact CG2-CD1 4.44Å; T39-I327 HydrophobicContact CG2-CG1 4.24Å; A292-I327 HydrophobicContact CB-CG2 3.74Å; E295-I327 HydrophobicContact CB-CD1 4.45Å; E295-I327 HydrophobicContact CG-CD1 4.28Å; E295-I327 WeakPolarHBondContact OE2-CG2 3.46Å; L296-I327 HydrophobicContact CB-CD1 3.89Å; L296-I327 HydrophobicContact CD1-CD1 3.81Å; L296-I327 HydrophobicContact CG-CD1 4.46Å; A323-I327 WeakPolarHBondContact O-CG1 3.35Å; A323-I327 PolarHBondContact O-N 3.25Å; Y324-I327 WeakPolarHBondContact O-CA 3.16Å; Y324-I327 WeakPolarHBondContact O-CB 3.47Å; Y324-I327 PolarHBondContact O-N 3.03Å; N325-I327 VanDerWaalsContact C-N 3.3Å; N325-I327 PolarHBondContact O-N 2.93Å; I327-D329 VanDerWaalsContact C-N 3.28Å; I327-D329 PolarHBondContact O-N 3.42Å; I327-N330 PolarHBondContact O-N 2.88Å; I327-K331 HydrophobicContact CG2-CD 4.48Å; I327-K331 PolarHBondContact O-N 3.21Å
328I84.3Confident77.5Confident42 Ų4240.8 Ų40.822%0.21522%0.222CC..Hα-helixtrans-56.8-44.9177.7-62.2-61000111.3D289 A292 Y324 N325 K331 R332D289-I328 HydrophobicContact CB-CD1 3.5Å; A292-I328 HydrophobicContact CB-CD1 3.41Å; A292-I328 VanDerWaalsContact CB-CD1 3.41Å; A292-I328 HydrophobicContact CB-CG1 4.31Å; Y324-I328 HydrophobicContact CD1-CG1 4.05Å; Y324-I328 HydrophobicContact CE1-CD1 4.14Å; Y324-I328 HydrophobicContact CE1-CG1 3.61Å; Y324-I328 HydrophobicContact CE2-CD1 4.01Å; Y324-I328 HydrophobicContact CE2-CG1 4.16Å; Y324-I328 WeakPolarHBondContact O-CG1 3.46Å; Y324-I328 PolarHBondContact O-N 3.5Å; N325-I328 PolarHBondContact O-N 3.25Å; I328-K331 PolarHBondContact O-N 3.41Å; I328-R332 WeakPolarHBondContact O-CB 3.49Å; I328-R332 PolarHBondContact O-N 3.43Å
329D77.9Confident76Confident3 Ų344.9 Ų44.92%0.01624%0.239CC..Hα-helixtrans-68.9-38.3-178.1-76.1-20.2000112.6R79 Y81 N325 I327 K331 R332 I333R79-D329 VanDerWaalsContact CD-OD2 3.25Å; R79-D329 WeakPolarHBondContact CD-OD2 3.38Å; R79-D329 IonicContact CZ-OD1 3.59Å; R79-D329 VanDerWaalsContact CZ-OD1 3.27Å; R79-D329 IonicContact CZ-OD2 2.96Å; R79-D329 IonicContact NE-OD2 2.8Å; R79-D329 IonicContact NH1-OD1 3.8Å; R79-D329 PolarHBondContact NH1-OD1 2.77Å; R79-D329 IonicContact NH1-OD2 2.64Å; R79-D329 PolarHBondContact NH1-OD2 3.37Å; R79-D329 IonicContact NH2-OD1 2.8Å; Y81-D329 WeakPolarHBondContact CE1-OD2 3.42Å; Y81-D329 PolarHBondContact OH-OD2 3.16Å; N325-D329 WeakPolarHBondContact O-CB 3.37Å; N325-D329 PolarHBondContact O-N 2.8Å; I327-D329 VanDerWaalsContact C-N 3.28Å; I327-D329 PolarHBondContact O-N 3.42Å; D329-K331 PolarHBondContact O-N 2.78Å; D329-R332 WeakPolarHBondContact O-CB 3.24Å; D329-R332 PolarHBondContact O-N 2.77Å; D329-I333 VanDerWaalsContact O-CG1 3.23Å; D329-I333 WeakPolarHBondContact O-CG1 3.1Å; D329-I333 PolarHBondContact O-N 2.76Å
330N81Confident73.8Confident56 Ų5646.6 Ų46.630%0.29925%0.247SC..Hα-helixtrans-64.6-39.8172.6-93.826.6000113.3H41 L326 I327 R332 I333 A334H41-N330 PolarHBondContact CD2-ND2 3.39Å; H41-N330 WeakPolarHBondContact CE1-CB 3.49Å; H41-N330 PolarHBondContact CE1-ND2 2.84Å; H41-N330 PolarHBondContact ND1-ND2 2.99Å; H41-N330 VanDerWaalsContact ND1-ND2 3.15Å; H41-N330 PolarHBondContact NE2-ND2 2.81Å; L326-N330 PolarHBondContact O-N 2.81Å; L326-N330 VanDerWaalsContact O-N 3.14Å; I327-N330 PolarHBondContact O-N 2.88Å; N330-R332 VanDerWaalsContact C-N 3.32Å; N330-I333 PolarHBondContact O-N 2.81Å; N330-A334 WeakPolarHBondContact O-CB 3.23Å; N330-A334 PolarHBondContact O-N 3.35Å
331K80.6Confident71.4Confident41 Ų4152.3 Ų52.318%0.17828%0.282CS..Hα-helixtrans-62.5-41.2173.8-74.1-172.8178.6-171.60111.3D289 A292 I327 I328 D329 A334 N335D289-K331 IonicContact OD1-NZ 3.33Å; A292-K331 VanDerWaalsContact N-NZ 3.17Å; I327-K331 HydrophobicContact CG2-CD 4.48Å; I327-K331 PolarHBondContact O-N 3.21Å; I328-K331 PolarHBondContact O-N 3.41Å; D329-K331 PolarHBondContact O-N 2.78Å; K331-A334 PolarHBondContact O-N 3.28Å; K331-N335 VanDerWaalsContact O-CB 3.31Å; K331-N335 WeakPolarHBondContact O-CB 3.28Å; K331-N335 PolarHBondContact O-N 3.23Å; K331-N335 PolarHBondContact O-ND2 2.97Å
332R73.4Confident69.3Low115 Ų11555.2 Ų55.243%0.43431%0.308SS..Hα-helixtrans-62-44.4177-169.5-179.5-171.9161.711.8111.6I328 D329 N330 A336I328-R332 WeakPolarHBondContact O-CB 3.49Å; I328-R332 PolarHBondContact O-N 3.43Å; D329-R332 WeakPolarHBondContact O-CB 3.24Å; D329-R332 PolarHBondContact O-N 2.77Å; N330-R332 VanDerWaalsContact C-N 3.32Å; R332-A336 PolarHBondContact O-N 3.04Å; R332-A336 VanDerWaalsContact O-N 3.09Å
333I69Low66.9Low43 Ų4360.5 Ų60.522%0.22134%0.34CS..Hα-helixtrans-61.8-51.2175.5-66.3164.5000109.5H151 D329 N330 N335 A336 T337H151-I333 PolarHBondContact CE1-O 3.03Å; H151-I333 PolarHBondContact NE2-O 3.45Å; D329-I333 VanDerWaalsContact O-CG1 3.23Å; D329-I333 WeakPolarHBondContact O-CG1 3.1Å; D329-I333 PolarHBondContact O-N 2.76Å; N330-I333 PolarHBondContact O-N 2.81Å; I333-N335 PolarHBondContact O-N 3.23Å; I333-A336 PolarHBondContact O-N 3.09Å; I333-T337 PolarHBondContact O-N 2.95Å; I333-T337 VanDerWaalsContact O-N 3.09Å; I333-T337 PolarHBondContact O-OG1 3.41Å
334A71.6Confident64.1Low54 Ų5470.1 Ų70.145%0.44639%0.385SS..Hα-helixtrans-60.7-40.5-179.800000113.4N330 K331 A336 T337 A338N330-A334 WeakPolarHBondContact O-CB 3.23Å; N330-A334 PolarHBondContact O-N 3.35Å; K331-A334 PolarHBondContact O-N 3.28Å; A334-A336 VanDerWaalsContact C-N 3.34Å; A334-A336 PolarHBondContact O-N 3.38Å; A334-T337 WeakPolarHBondContact O-CB 3.38Å; A334-T337 PolarHBondContact O-N 2.79Å; A334-T337 VanDerWaalsContact O-N 3.11Å; A334-A338 PolarHBondContact O-N 2.93Å; A334-A338 VanDerWaalsContact O-N 3.08Å
335N71.4Confident61.3Low101 Ų10172.7 Ų72.754%0.5442%0.418SS..Hα-helixtrans-65.6-37.2177.4-75.3-16.7000112.3K331 I333 T337 A338 K339K331-N335 VanDerWaalsContact O-CB 3.31Å; K331-N335 WeakPolarHBondContact O-CB 3.28Å; K331-N335 PolarHBondContact O-N 3.23Å; K331-N335 PolarHBondContact O-ND2 2.97Å; I333-N335 PolarHBondContact O-N 3.23Å; N335-T337 VanDerWaalsContact C-N 3.28Å; N335-A338 PolarHBondContact O-N 3.32Å; N335-K339 WeakPolarHBondContact O-CG 3.49Å; N335-K339 PolarHBondContact O-N 3.06Å
336A55.7Low58.7Low24 Ų2476.6 Ų76.620%0.19845%0.447CS..Hα-helixtrans-64.1-36.5172.500000110.7H151 R332 I333 A334 A338 K339 H340H151-A336 VanDerWaalsContact CE1-CB 3.47Å; H151-A336 WeakPolarHBondContact CE1-CB 3.12Å; H151-A336 WeakPolarHBondContact ND1-CB 3.36Å; R332-A336 PolarHBondContact O-N 3.04Å; R332-A336 VanDerWaalsContact O-N 3.09Å; I333-A336 PolarHBondContact O-N 3.09Å; A334-A336 VanDerWaalsContact C-N 3.34Å; A334-A336 PolarHBondContact O-N 3.38Å; A336-A338 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 3.31Å; A336-K339 PolarHBondContact O-N 3.33Å; A336-H340 PolarHBondContact O-CD2 3.31Å; A336-H340 PolarHBondContact O-N 2.86Å
337T49.1Very low55.9Low78 Ų7882.5 Ų82.548%0.47948%0.483SS..Hα-helixtrans-62.9-41.1176.6-37.40000111.5H151 I333 A334 N335H151-T337 VanDerWaalsContact CD2-CA 3.44Å; H151-T337 WeakPolarHBondContact CD2-CA 3.46Å; H151-T337 PolarHBondContact CD2-N 3.16Å; H151-T337 PolarHBondContact CE1-N 3.13Å; H151-T337 PolarHBondContact CE1-OG1 3.28Å; H151-T337 VanDerWaalsContact CE1-OG1 3.28Å; H151-T337 WeakPolarHBondContact NE2-CA 3.48Å; H151-T337 WeakPolarHBondContact NE2-CB 3.18Å; H151-T337 PolarHBondContact NE2-N 3.29Å; H151-T337 PolarHBondContact NE2-OG1 2.82Å; I333-T337 PolarHBondContact O-N 2.95Å; I333-T337 VanDerWaalsContact O-N 3.09Å; I333-T337 PolarHBondContact O-OG1 3.41Å; A334-T337 WeakPolarHBondContact O-CB 3.38Å; A334-T337 PolarHBondContact O-N 2.79Å; A334-T337 VanDerWaalsContact O-N 3.11Å; N335-T337 VanDerWaalsContact C-N 3.28Å
338A50.6Low53.2Low56 Ų5688.7 Ų88.746%0.46352%0.521SS..Hα-helixtrans-74.5-31.7-179.400000113.9A334 N335 A336 T341A334-A338 PolarHBondContact O-N 2.93Å; A334-A338 VanDerWaalsContact O-N 3.08Å; N335-A338 PolarHBondContact O-N 3.32Å; A336-A338 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 3.31Å; A338-T341 PolarHBondContact O-N 3.45Å; A338-T341 PolarHBondContact O-OG1 3.09Å
339K50.6Low50.5Low146 Ų14695.8 Ų95.864%0.63555%0.553SS**Hα-helixtrans-76.1-27.8-179.6-74.9-177178.5-173.50113.4N335 A336 T341 A342 T343N335-K339 WeakPolarHBondContact O-CG 3.49Å; N335-K339 PolarHBondContact O-N 3.06Å; A336-K339 PolarHBondContact O-N 3.33Å; K339-T341 PolarHBondContact O-N 2.92Å; K339-A342 PolarHBondContact O-N 3.25Å; K339-T343 PolarHBondContact O-OG1 3.41Å
340H41.2Very low48.1Very low125 Ų125102.2 Ų102.258%0.57959%0.593SS**THydrogen-bonded Turntrans-67.6-15.6174.7-80.5-67000113.9H151 A336H151-H340 AromaticContact CD2-CD2 3.88Å; H151-H340 AromaticContact CG-CD2 3.93Å; A336-H340 PolarHBondContact O-CD2 3.31Å; A336-H340 PolarHBondContact O-N 2.86Å
341T37Very low45.7Very low129 Ų129108.4 Ų108.479%0.79162%0.62SS**THydrogen-bonded Turntrans-87.7-5.5170.543.90000114.5A338 K339A338-T341 PolarHBondContact O-N 3.45Å; A338-T341 PolarHBondContact O-OG1 3.09Å; K339-T341 PolarHBondContact O-N 2.92Å
342A40.5Very low43.3Very low73 Ų73113 Ų11360%0.60365%0.652SS**THydrogen-bonded Turntrans-127.7-1.5-160.600000117.7K339K339-A342 PolarHBondContact O-N 3.25Å
343T34.3Very low41.5Very low115 Ų115113.4 Ų113.471%0.70667%0.669SS**  trans-143.885.1-172.418.80000114.1K339K339-T343 PolarHBondContact O-OG1 3.41Å
344E30.3Very low39.8Very low202 Ų202114.6 Ų114.694%0.94469%0.692SS**  trans-89128.4140.7-72.3-176.6159.400107.3
345G30.9Very low37.9Very low75 Ų75121.8 Ų121.877%0.77372%0.716SS**  trans108.4102.5163.300000116.5
346C29.7Very low36.7Very low127 Ų127125.6 Ų125.686%0.85873%0.731SS**  165.3128.8108.7-164.50000109.8
347V28.2Very low36.1Very low127 Ų127130.3 Ų130.377%0.7776%0.763SS**  trans-103.1138.4-177.1-169.50000108
348T30.3Very low36.4Very low130 Ų130135.3 Ų135.380%0.79878%0.783SS**  trans-133.2128.2166.634.80000112.1
349E26.7Very low37.2Very low191 Ų191138.1 Ų138.189%0.89380%0.799SS**  trans-67.4147.3-179-64.5170.8142.800112.6
350T28.9Very low37.6Very low138 Ų138139.3 Ų139.385%0.84780%0.799SS**  trans-118.6129.4169.1-440000110.4
351Q30.2Very low38.9Very low186 Ų186138.2 Ų138.287%0.86979%0.794SS**PPolyproline II helixtrans-77.3148179.9-67.5173.5-16.600112.4
352V30.3Very low40.7Very low139 Ų139136.7 Ų136.784%0.84279%0.787SS**PPolyproline II helixtrans-88133.6177.8-175.10000110.5
353P35.5Very low42.1Very low122 Ų122141.5 Ų141.579%0.79280%0.797SS**PPolyproline II helixtrans-86137.4171.9-1.920.6000112.3
354G32.8Very low43.5Very low69 Ų69145.6 Ų145.671%0.71180%0.799SS**PPolyproline II helixtrans-71.9164.9-175.200000116.8Q356G354-Q356 PolarHBondContact O-N 3.18Å
355E32.6Very low44.7Very low204 Ų204141.1 Ų141.195%0.95378%0.781SS**PPolyproline II helixtrans-55117.2-173.8-64.2175.114700113.7
356Q44.6Very low45.5Very low181 Ų181144.6 Ų144.685%0.84678%0.777SS**PPolyproline II helixtrans-95.8119.6163.8-73.6-176.9-3.400109.7G354 M358G354-Q356 PolarHBondContact O-N 3.18Å; Q356-M358 PolarHBondContact O-N 3.2Å
357S43.4Very low46.2Very low124 Ų124144.4 Ų144.487%0.86777%0.774SS**  trans-58.6115.3170.6-179.30000110.4S359S357-S359 PolarHBondContact O-N 2.75Å
358M56.1Low47Very low183 Ų183143.3 Ų143.390%0.90177%0.768SS**  trans-75.2103.8-179.9-68.9178.665.400110.8Q356Q356-M358 PolarHBondContact O-N 3.2Å
359S66.7Low47.4Very low114 Ų114139.7 Ų139.780%0.79775%0.747SS**PPolyproline II helixtrans-71.5142.1165.655.40000110.7S357S357-S359 PolarHBondContact O-N 2.75Å
360R59.5Low48.6Very low171 Ų171138.5 Ų138.565%0.64575%0.746SS**PPolyproline II helixtrans-66.9140.4177.5-76.9-174.2-175.3-173.83.1110.5
361H69Low49.5Very low102 Ų102139.3 Ų139.347%0.47274%0.743SS.*PPolyproline II helixtrans-60.6135.7175.9-169.6-89.4000111.3E363 R364 I365H361-E363 VanDerWaalsContact C-N 3.31Å; H361-E363 IonicContact CE1-OE2 3.28Å; H361-E363 PolarHBondContact CE1-OE2 2.75Å; H361-E363 PolarHBondContact ND1-N 3.05Å; H361-E363 IonicContact ND1-OE2 3.68Å; H361-E363 PolarHBondContact O-N 3.42Å; H361-R364 HydrophobicContact CB-CG 4.5Å; H361-R364 WeakPolarHBondContact O-CA 3.25Å; H361-R364 WeakPolarHBondContact O-CB 3.4Å; H361-R364 PolarHBondContact O-N 3.07Å; H361-I365 WeakPolarHBondContact O-CG1 3.4Å
362P73.4Confident50.4Low97 Ų97134.7 Ų134.763%0.6373%0.728SS**G310 helixtrans-52.6-41-176.4-27.133.6000114.9R364 I365P362-R364 PolarHBondContact O-N 3.36Å; P362-R364 VanDerWaalsContact O-N 3.1Å; P362-I365 HydrophobicContact CB-CD1 4.45Å; P362-I365 WeakPolarHBondContact O-CB 3.25Å; P362-I365 WeakPolarHBondContact O-CG1 3.36Å; P362-I365 PolarHBondContact O-N 3.48Å; P362-I365 VanDerWaalsContact O-N 3.07Å
363E69.7Low50.9Low174 Ų174132.1 Ų132.181%0.81371%0.714SS**G310 helixtrans-68.8-5.5177.5-63.7-179.8156.300114.3H361H361-E363 VanDerWaalsContact C-N 3.31Å; H361-E363 IonicContact CE1-OE2 3.28Å; H361-E363 PolarHBondContact CE1-OE2 2.75Å; H361-E363 PolarHBondContact ND1-N 3.05Å; H361-E363 IonicContact ND1-OE2 3.68Å; H361-E363 PolarHBondContact O-N 3.42Å
364R63.8Low51.5Low201 Ų201128 Ų12876%0.75869%0.691SS**G310 helixtrans-105.56.4173.4-65.3-174.3-177.9164.52.1113H361 P362H361-R364 HydrophobicContact CB-CG 4.5Å; H361-R364 WeakPolarHBondContact O-CA 3.25Å; H361-R364 WeakPolarHBondContact O-CB 3.4Å; H361-R364 PolarHBondContact O-N 3.07Å; P362-R364 PolarHBondContact O-N 3.36Å; P362-R364 VanDerWaalsContact O-N 3.1Å
365I55.4Low52Low109 Ų109130.5 Ų130.556%0.55969%0.687SS**  trans-85.2-19.8-171.3-63.5-176.5000113H361 P362 P367H361-I365 WeakPolarHBondContact O-CG1 3.4Å; P362-I365 HydrophobicContact CB-CD1 4.45Å; P362-I365 WeakPolarHBondContact O-CB 3.25Å; P362-I365 WeakPolarHBondContact O-CG1 3.36Å; P362-I365 PolarHBondContact O-N 3.48Å; P362-I365 VanDerWaalsContact O-N 3.07Å; I365-P367 WeakPolarHBondContact O-CD 3.49Å
366E47.9Very low52.6Low148 Ų148127.8 Ų127.869%0.69267%0.674SS**  trans-100.7122.2-177.4-66.4-150.2171.300114.8T368E366-T368 WeakPolarHBondContact CB-OG1 3.14Å; E366-T368 PolarHBondContact O-N 2.96Å; E366-T368 PolarHBondContact OE2-OG1 3.43Å
367P45.2Very low52.3Low122 Ų122125.8 Ų125.879%0.79267%0.674SS**THydrogen-bonded Turntrans-80.619.3171.232.6-31.7000113.4I365 S369I365-P367 WeakPolarHBondContact O-CD 3.49Å; P367-S369 VanDerWaalsContact C-N 3.35Å; P367-S369 PolarHBondContact O-N 2.67Å
368T44.7Very low52.3Low105 Ų105126.4 Ų126.464%0.64467%0.666SS**THydrogen-bonded Turntrans-87.23.1-174.846.40000114.4E366E366-T368 WeakPolarHBondContact CB-OG1 3.14Å; E366-T368 PolarHBondContact O-N 2.96Å; E366-T368 PolarHBondContact OE2-OG1 3.43Å
369S39.3Very low51.5Low53 Ų53123.6 Ų123.637%0.37166%0.662SS.*  trans-97.1114.5176.1155.70000110.7P367 I371 T372P367-S369 VanDerWaalsContact C-N 3.35Å; P367-S369 PolarHBondContact O-N 2.67Å; S369-I371 PolarHBondContact O-N 3.09Å; S369-I371 PolarHBondContact OG-N 2.78Å; S369-T372 PolarHBondContact O-N 2.83Å; S369-T372 PolarHBondContact OG-OG1 3.38Å; S369-T372 VanDerWaalsContact OG-OG1 3.1Å
370I51.5Low50.3Low167 Ų167123.9 Ų123.986%0.85666%0.659SS**THydrogen-bonded Turntrans-52-9.1173.5-62.1170.5000112.7
371I48.4Very low49.1Very low154 Ų154125.4 Ų125.479%0.7967%0.67SS**THydrogen-bonded Turntrans-96.8-13.3-171.5-56.1175.7000112.8S369S369-I371 PolarHBondContact O-N 3.09Å; S369-I371 PolarHBondContact OG-N 2.78Å
372T48.3Very low47.9Very low90 Ų90126.2 Ų126.255%0.55268%0.684SS**  trans-123.529.8-165.8-14.80000119.1S369 A374S369-T372 PolarHBondContact O-N 2.83Å; S369-T372 PolarHBondContact OG-OG1 3.38Å; S369-T372 VanDerWaalsContact OG-OG1 3.1Å; T372-A374 VanDerWaalsContact C-N 3.28Å; T372-A374 PolarHBondContact O-N 3.22Å; T372-A374 VanDerWaalsContact O-N 3.11Å
373P41.7Very low46.2Very low85 Ų85130.1 Ų130.155%0.55270%0.695SS**THydrogen-bonded Turntrans-81.99.9-169.1-121.1000115.5
374A47.7Very low44.9Very low36 Ų36129 Ų12930%0.29870%0.7SS.*THydrogen-bonded Turntrans-123.420.8-16100000115.6T372 G396 K398T372-A374 VanDerWaalsContact C-N 3.28Å; T372-A374 PolarHBondContact O-N 3.22Å; T372-A374 VanDerWaalsContact O-N 3.11Å; A374-G396 WeakPolarHBondContact CB-O 3.09Å; A374-K398 HydrophobicContact CB-CB 3.69Å; A374-K398 HydrophobicContact CB-CD 4.48Å; A374-K398 HydrophobicContact CB-CG 4.24Å
375L43.6Very low43.5Very low121 Ų121124.8 Ų124.863%0.63471%0.708SS**  trans-119.912.9-178.6-106.7114.7000114.6K398L375-K398 HydrophobicContact CD1-CD 4.31Å; L375-K398 VanDerWaalsContact CD1-NZ 3.31Å
376E44.7Very low42.9Very low147 Ų147122.5 Ų122.569%0.68771%0.711SS**  trans-99.189.8-178.6-64.4-170.2150.100112
377T38.6Very low42.5Very low138 Ų138122.1 Ų122.185%0.84772%0.722SS**  trans-151.687.2153.124.70000108.7
378I42.5Very low42.3Very low137 Ų137121.3 Ų121.370%0.70372%0.719SS**  trans-117.3107.3155.6-59175.5000104.8T380I378-T380 HydrophobicContact CG2-CG2 4.4Å; I378-T380 PolarHBondContact O-N 3.21Å; I378-T380 VanDerWaalsContact O-N 3.1Å
379P40.6Very low42.2Very low125 Ų125121.2 Ų121.281%0.81272%0.722SS**  trans-78.895.2175.328.1-25.1000108.9K381P379-K381 PolarHBondContact O-N 2.88Å
380T40.5Very low42.1Very low119 Ų119124.8 Ų124.873%0.7374%0.744SS**  trans-77.7111.2159.649.20000107.9I378I378-T380 HydrophobicContact CG2-CG2 4.4Å; I378-T380 PolarHBondContact O-N 3.21Å; I378-T380 VanDerWaalsContact O-N 3.1Å
381K35.2Very low41.6Very low203 Ų203122.1 Ų122.188%0.88374%0.741SS**  trans-53.3138.7162.9-86.4-178.3172.6-177.80108.3P379P379-K381 PolarHBondContact O-N 2.88Å
382P42.8Very low41.2Very low119 Ų119124 Ų12477%0.77375%0.746SS**  -141.616297.630.9-12.3000114.7
383E37.2Very low40.9Very low180 Ų180124 Ų12484%0.84175%0.754SS**  trans-53.8130.8174.3-61.3161150.800112.6
384T42.6Very low41.1Very low150 Ų150126.3 Ų126.392%0.9277%0.767SS**  165.7139.8126.1340000110.7
385A34.8Very low41.2Very low112 Ų112133.5 Ų133.593%0.92679%0.794SS**  trans-76.1142-16600000114.2
386G42.7Very low41.7Very low61 Ų61128.9 Ų128.963%0.62978%0.776SS**  trans-172.1132.7162.300000110.5S388G386-S388 PolarHBondContact O-N 2.88Å
387P39.8Very low42.5Very low141 Ų141133.8 Ų133.892%0.91679%0.788SS**  trans-87110-179.833-27.3000109.3
388S41.3Very low43.9Very low105 Ų105133.9 Ų133.973%0.73478%0.777SS**  trans-138111.9169.750.50000111.5G386G386-S388 PolarHBondContact O-N 2.88Å
389S41.8Very low45.8Very low103 Ų103131.5 Ų131.572%0.7278%0.778SS**  trans37.9128.4145.949.20000120.1S391S389-S391 PolarHBondContact O-N 2.91Å
390P38.2Very low47.8Very low128 Ų128133.3 Ų133.383%0.83177%0.773SS**  trans-72.7104.3177.431.6-30.6000109.7
391S40Very low49.9Very low111 Ų111139.1 Ų139.178%0.77678%0.782SS**  trans-77.7119.6165.252.40000108.8S389 A393S389-S391 PolarHBondContact O-N 2.91Å; S391-A393 VanDerWaalsContact C-N 3.34Å; S391-A393 PolarHBondContact O-N 2.86Å
392H40.9Very low52.3Low194 Ų194135.3 Ų135.390%0.89877%0.767SS**  trans-63.591.5171.5-86.8-77.7000109.9T394H392-T394 PolarHBondContact O-N 2.91Å
393A42Very low54.3Low88 Ų88134.7 Ų134.773%0.72776%0.756SS**  trans-71.5105.5164.800000108.6S391 Q395S391-A393 VanDerWaalsContact C-N 3.34Å; S391-A393 PolarHBondContact O-N 2.86Å; A393-Q395 PolarHBondContact O-N 3.08Å
394T46Very low56.9Low135 Ų135127.7 Ų127.783%0.82873%0.733SS**  trans-56.6100.4165.222.30000109.1H392 G396H392-T394 PolarHBondContact O-N 2.91Å; T394-G396 PolarHBondContact O-N 2.77Å
395Q49.8Very low59.3Low186 Ų186122.9 Ų122.987%0.86970%0.701SS**  trans-58.9105.4171.2-74.9-179.3-12.300109A393 R397A393-Q395 PolarHBondContact O-N 3.08Å; Q395-R397 PolarHBondContact O-N 3Å; Q395-R397 VanDerWaalsContact O-N 3.15Å
396G54.1Low62Low24 Ų24124.9 Ų124.925%0.24768%0.684CS.*  trans-57.6118.6170.800000109.5A374 T394 K398A374-G396 WeakPolarHBondContact CB-O 3.09Å; T394-G396 PolarHBondContact O-N 2.77Å; G396-K398 PolarHBondContact O-N 3.08Å
397R61Low64.4Low250 Ų250123.9 Ų123.994%0.94367%0.667SS**  trans-69.2100.4172.9-76.2-175.9175.5-179.8-0.7108.5Q395 A399Q395-R397 PolarHBondContact O-N 3Å; Q395-R397 VanDerWaalsContact O-N 3.15Å; R397-A399 PolarHBondContact O-N 3.48Å
398K67.3Low67Low140 Ų140125.1 Ų125.161%0.60966%0.661SS**  trans-65.3119.5171.2-162172.4178.8178.50108.9A374 L375 G396 K400A374-K398 HydrophobicContact CB-CB 3.69Å; A374-K398 HydrophobicContact CB-CD 4.48Å; A374-K398 HydrophobicContact CB-CG 4.24Å; L375-K398 HydrophobicContact CD1-CD 4.31Å; L375-K398 VanDerWaalsContact CD1-NZ 3.31Å; G396-K398 PolarHBondContact O-N 3.08Å; K398-K400 PolarHBondContact O-N 3.19Å
399A82.3Confident69.6Low87 Ų87123 Ų12372%0.71965%0.647SS**  trans-61.4133.1170.500000109.6R397R397-A399 PolarHBondContact O-N 3.48Å
400K82.9Confident72.1Confident164 Ų164120 Ų12071%0.71363%0.628SS**  trans-104.7124.7175.8-174.6177.9179.2-179.60108.9K398 H402K398-K400 PolarHBondContact O-N 3.19Å; K400-H402 PolarHBondContact O-CE1 3.39Å; K400-H402 PolarHBondContact O-ND1 3.23Å; K400-H402 VanDerWaalsContact O-ND1 3.13Å
401W84.8Confident74.8Confident241 Ų241114.7 Ų114.791%0.91359%0.593SS**  trans-73.3146173.2-68.891.4000110.8
402H86.1Confident77.4Confident122 Ų122114.1 Ų114.157%0.56558%0.578SS**  trans-131.7151.4175.7-53.894.1000109K400K400-H402 PolarHBondContact O-CE1 3.39Å; K400-H402 PolarHBondContact O-ND1 3.23Å; K400-H402 VanDerWaalsContact O-ND1 3.13Å
403L85.3Confident80Confident107 Ų107109.7 Ų109.756%0.5656%0.561SS**SBendtrans-77.4131.8174.5-179.168.3000110L463L403-L463 HydrophobicContact CB-CD1 4.27Å; L403-L463 HydrophobicContact CD2-CD2 3.96Å; L403-L463 HydrophobicContact CG-CD2 4.19Å; L403-L463 WeakPolarHBondContact O-CD1 3.38Å
404G90.6Very high82.6Confident33 Ų33106.3 Ų106.334%0.3453%0.531SS..SBendtrans53.6-145.8172.500000114.6L464G404-L464 VanDerWaalsContact CA-O 3.31Å; G404-L464 WeakPolarHBondContact CA-O 3.47Å
405I92.9Very high85Confident48 Ų48100.6 Ų100.625%0.24650%0.495CS..EExtended strand (participates in β ladder)trans-123.5149.1172.363.6175.2000110.4L463 L464 F466 I538 L541I405-L463 CarbonylContact O-C 3.55Å; I405-L463 WeakPolarHBondContact O-CA 3.36Å; I405-L464 HydrophobicContact CD1-CB 4.47Å; I405-L464 HydrophobicContact CD1-CD2 4.1Å; I405-L464 HydrophobicContact CG1-CB 3.84Å; I405-L464 HydrophobicContact CG1-CD2 4.31Å; I405-L464 PolarHBondContact N-O 3.41Å; I405-L464 VanDerWaalsContact N-O 3.12Å; I405-L464 PolarHBondContact O-N 3.12Å; I405-F466 HydrophobicContact CD1-CZ 4.26Å; I405-F466 HydrophobicContact CG1-CE2 4.11Å; I405-F466 HydrophobicContact CG1-CZ 4.26Å; I405-F466 HydrophobicContact CG2-CE2 4.41Å; I405-I538 HydrophobicContact CG2-CD1 4.23Å; I405-I538 HydrophobicContact CG2-CG1 3.93Å; I405-I538 HydrophobicContact CG2-CG2 4Å; I405-L541 HydrophobicContact CD1-CB 4.22Å; I405-L541 HydrophobicContact CD1-CD1 3.62Å
406R93Very high87.2Confident154 Ų15496.1 Ų96.158%0.58148%0.48SS*.EExtended strand (participates in β ladder)trans-113.7146-179.8-65.6-177.5-178.3-166.5-3.5111.4Y462 L463R406-Y462 CarbonylContact C-O 3.48Å; R406-Y462 VanDerWaalsContact CA-O 3.24Å; R406-Y462 WeakPolarHBondContact CA-O 3.35Å; R406-L463 HydrophobicContact CG-CB 4.29Å; R406-L463 HydrophobicContact CG-CD1 3.98Å; R406-L463 HydrophobicContact CG-CG 4.42Å
407S93.1Very high89.2Confident40 Ų4098 Ų9828%0.2848%0.483SS..EExtended strand (participates in β ladder)trans-139.7150.3173.1179.80000110.8S409 Y462S407-S409 WeakPolarHBondContact OG-CB 2.86Å; S407-S409 PolarHBondContact OG-N 3.09Å; S407-S409 VanDerWaalsContact OG-N 3.11Å; S407-S409 PolarHBondContact OG-OG 3.42Å; S407-Y462 PolarHBondContact N-O 3.27Å; S407-Y462 PolarHBondContact O-N 2.94Å
408Q94.5Very high90.9Very high168 Ų16886.2 Ų86.279%0.78544%0.438SS*.  trans-101.90172.4-64.2-178.51.900112.5R460Q408-R460 WeakPolarHBondContact CA-O 3.45Å
409S94.1Very high92.3Very high61 Ų6181.8 Ų81.843%0.42742%0.421SS..SBendtrans-66.5162.4174.7-55.40000111.2S407 I414 Y462S407-S409 WeakPolarHBondContact OG-CB 2.86Å; S407-S409 PolarHBondContact OG-N 3.09Å; S407-S409 VanDerWaalsContact OG-N 3.11Å; S407-S409 PolarHBondContact OG-OG 3.42Å; S409-I414 WeakPolarHBondContact O-CD1 3.4Å; S409-Y462 WeakPolarHBondContact O-CD2 3.16Å
410A94.7Very high92.9Very high40 Ų4083.3 Ų83.333%0.33141%0.408SS..  trans-60.1145.4174.400000110.2E412 D413 I414A410-E412 PolarHBondContact O-N 2.98Å; A410-D413 HydrophobicContact CB-CB 4.48Å; A410-D413 WeakPolarHBondContact CB-OD2 3.47Å; A410-D413 WeakPolarHBondContact O-CB 3.23Å; A410-D413 PolarHBondContact O-N 3.21Å; A410-I414 WeakPolarHBondContact O-CG1 3.44Å; A410-I414 PolarHBondContact O-N 3.2Å
411P94.6Very high93.6Very high16 Ų1675.5 Ų75.510%0.10437%0.374CS..Hα-helixtrans-62.4-31.6-174.423.5-30.1000112.4I414 M415 Y435 L454 Y462P411-I414 PolarHBondContact O-N 2.84Å; P411-M415 VanDerWaalsContact O-CG 3.3Å; P411-M415 WeakPolarHBondContact O-CG 3.5Å; P411-M415 PolarHBondContact O-N 3.14Å; P411-Y435 HydrophobicContact CB-CD1 4.45Å; P411-Y435 HydrophobicContact CB-CE1 3.83Å; P411-Y435 HydrophobicContact CG-CE1 4.47Å; P411-L454 HydrophobicContact CB-CD2 3.77Å; P411-Y462 HydrophobicContact CB-CD1 4.16Å; P411-Y462 HydrophobicContact CB-CE1 3.9Å; P411-Y462 HydrophobicContact CG-CE1 3.95Å; P411-Y462 HydrophobicContact CG-CE2 4.36Å
412E95.2Very high94.1Very high99 Ų9964 Ų6446%0.46333%0.331SS..Hα-helixtrans-65.5-41.4174.3-62.269.1-146.200111.9A410 M415 T416 Y435A410-E412 PolarHBondContact O-N 2.98Å; E412-M415 PolarHBondContact O-N 2.67Å; E412-T416 WeakPolarHBondContact O-CB 3.4Å; E412-T416 PolarHBondContact O-N 3.42Å; E412-T416 PolarHBondContact O-OG1 3.34Å; E412-Y435 PolarHBondContact OE1-OH 3.02Å; E412-Y435 VanDerWaalsContact OE1-OH 3.09Å
413D96.2Very high94.5Very high100 Ų10066 Ų6654%0.53534%0.338SS..Hα-helixtrans-66.1-42.6177.7-62.7-29.5000110.7A410 M415 T416 E417A410-D413 HydrophobicContact CB-CB 4.48Å; A410-D413 WeakPolarHBondContact CB-OD2 3.47Å; A410-D413 WeakPolarHBondContact O-CB 3.23Å; A410-D413 PolarHBondContact O-N 3.21Å; D413-M415 PolarHBondContact O-N 2.9Å; D413-T416 PolarHBondContact O-N 3.38Å; D413-E417 WeakPolarHBondContact O-CB 3.23Å; D413-E417 PolarHBondContact O-N 2.8Å
414I95.7Very high95Very high18 Ų1866.5 Ų66.59%0.09234%0.341CS..Hα-helixtrans-58.7-50.2176.2-63.5166.9000110S409 A410 P411 T416 E417 V418 L454 Y462S409-I414 WeakPolarHBondContact O-CD1 3.4Å; A410-I414 WeakPolarHBondContact O-CG1 3.44Å; A410-I414 PolarHBondContact O-N 3.2Å; P411-I414 PolarHBondContact O-N 2.84Å; I414-T416 VanDerWaalsContact C-N 3.34Å; I414-T416 PolarHBondContact O-N 2.89Å; I414-E417 PolarHBondContact O-N 2.93Å; I414-V418 HydrophobicContact CG2-CG2 4.45Å; I414-V418 VanDerWaalsContact O-CG2 3.29Å; I414-V418 WeakPolarHBondContact O-CG2 3.19Å; I414-V418 PolarHBondContact O-N 3.2Å; I414-L454 HydrophobicContact CB-CD2 4.46Å; I414-L454 HydrophobicContact CD1-CD1 4.43Å; I414-L454 HydrophobicContact CG2-CD1 3.85Å; I414-L454 HydrophobicContact CG2-CD2 4.38Å; I414-Y462 HydrophobicContact CD1-CD2 4.01Å; I414-Y462 HydrophobicContact CD1-CG 4.11Å
415M96.5Very high95.1Very high15 Ų1567.1 Ų67.17%0.07434%0.336CS..Hα-helixtrans-66.2-37-178.7-66.8-56.7-66.300112.3P411 E412 D413 E417 V418 L419 Y435 M437 L454P411-M415 VanDerWaalsContact O-CG 3.3Å; P411-M415 WeakPolarHBondContact O-CG 3.5Å; P411-M415 PolarHBondContact O-N 3.14Å; E412-M415 PolarHBondContact O-N 2.67Å; D413-M415 PolarHBondContact O-N 2.9Å; M415-E417 VanDerWaalsContact C-N 3.33Å; M415-V418 PolarHBondContact O-N 2.8Å; M415-L419 VanDerWaalsContact O-CG 3.28Å; M415-L419 WeakPolarHBondContact O-CG 3.47Å; M415-L419 PolarHBondContact O-N 3.5Å; M415-Y435 HydrophobicContact CG-CD1 3.98Å; M415-M437 HydrophobicContact CE-CE 3.23Å; M415-L454 HydrophobicContact CG-CD2 4.15Å; M415-L454 HydrophobicContact SD-CB 4Å; M415-L454 HydrophobicContact SD-CD2 4.13Å
416T95.8Very high95.2Very high91 Ų9169.8 Ų69.856%0.55835%0.35SS*.Hα-helixtrans-61.5-44.3175.1-59.40000111.1E412 D413 I414 L419 R420E412-T416 WeakPolarHBondContact O-CB 3.4Å; E412-T416 PolarHBondContact O-N 3.42Å; E412-T416 PolarHBondContact O-OG1 3.34Å; D413-T416 PolarHBondContact O-N 3.38Å; I414-T416 VanDerWaalsContact C-N 3.34Å; I414-T416 PolarHBondContact O-N 2.89Å; T416-L419 PolarHBondContact O-N 3.28Å; T416-R420 WeakPolarHBondContact O-CB 3.24Å; T416-R420 PolarHBondContact O-N 3.4Å
417E96.3Very high95.3Very high65 Ų6563.2 Ų63.230%0.30433%0.326SS..Hα-helixtrans-68-40.5179.2-174.156.6-160.700112D413 I414 M415 L419 R420 V421 L541D413-E417 WeakPolarHBondContact O-CB 3.23Å; D413-E417 PolarHBondContact O-N 2.8Å; I414-E417 PolarHBondContact O-N 2.93Å; M415-E417 VanDerWaalsContact C-N 3.33Å; E417-L419 PolarHBondContact O-N 3.49Å; E417-R420 VanDerWaalsContact CD-NE 3.28Å; E417-R420 WeakPolarHBondContact O-CB 3.48Å; E417-R420 PolarHBondContact O-N 3.25Å; E417-R420 IonicContact OE1-CZ 3.65Å; E417-R420 IonicContact OE1-NE 3.3Å; E417-R420 PolarHBondContact OE1-NE 3.33Å; E417-R420 IonicContact OE1-NH2 2.73Å; E417-R420 PolarHBondContact OE1-NH2 2.8Å; E417-R420 WeakPolarHBondContact OE2-CD 3.4Å; E417-R420 IonicContact OE2-CZ 2.87Å; E417-R420 IonicContact OE2-NE 3.9Å; E417-R420 PolarHBondContact OE2-NE 3.36Å; E417-R420 IonicContact OE2-NH2 3.75Å; E417-V421 WeakPolarHBondContact O-CG2 3.29Å; E417-V421 PolarHBondContact O-N 2.55Å; E417-L541 HydrophobicContact CG-CD2 3.96Å
418V96.6Very high95.3Very high1 Ų164.7 Ų64.71%0.00633%0.329CS..Hα-helixtrans-57.3-49.71721700000110.8I414 M415 R420 V421 L422 M437 L452 L464 L541I414-V418 HydrophobicContact CG2-CG2 4.45Å; I414-V418 VanDerWaalsContact O-CG2 3.29Å; I414-V418 WeakPolarHBondContact O-CG2 3.19Å; I414-V418 PolarHBondContact O-N 3.2Å; M415-V418 PolarHBondContact O-N 2.8Å; V418-R420 VanDerWaalsContact C-N 3.31Å; V418-R420 PolarHBondContact O-N 2.77Å; V418-V421 PolarHBondContact O-N 3.01Å; V418-L422 HydrophobicContact CG1-CD1 3.91Å; V418-L422 HydrophobicContact CG1-CG 4.21Å; V418-L422 WeakPolarHBondContact O-CB 3.4Å; V418-L422 VanDerWaalsContact O-CG 3.23Å; V418-L422 WeakPolarHBondContact O-CG 3.5Å; V418-L422 PolarHBondContact O-N 3.41Å; V418-M437 HydrophobicContact CG1-CE 4Å; V418-M437 HydrophobicContact CG1-SD 4.32Å; V418-L452 HydrophobicContact CG1-CD1 3.99Å; V418-L464 HydrophobicContact CG2-CD2 3.73Å; V418-L541 HydrophobicContact CG2-CD1 4.14Å; V418-L541 HydrophobicContact CG2-CD2 4.15Å
419L96.2Very high95.3Very high48 Ų4861 Ų6125%0.25131%0.308SS..Hα-helixtrans-61.4-39.4178.7-69.8170.4000112.2M415 T416 E417 L422 K423 W429 M437M415-L419 VanDerWaalsContact O-CG 3.28Å; M415-L419 WeakPolarHBondContact O-CG 3.47Å; M415-L419 PolarHBondContact O-N 3.5Å; T416-L419 PolarHBondContact O-N 3.28Å; E417-L419 PolarHBondContact O-N 3.49Å; L419-L422 PolarHBondContact O-N 3.42Å; L419-K423 PolarHBondContact O-N 2.85Å; L419-K423 VanDerWaalsContact O-N 3.09Å; L419-W429 HydrophobicContact CD2-CD2 4.34Å; L419-W429 HydrophobicContact CD2-CG 4.39Å; L419-W429 HydrophobicContact CD2-CZ2 4.24Å; L419-M437 HydrophobicContact CD2-CE 3.89Å; L419-M437 HydrophobicContact CD2-SD 4.2Å; L419-M437 HydrophobicContact CG-CE 4.29Å
420R96.3Very high95.4Very high118 Ų11865.4 Ų65.445%0.44532%0.319SS..Hα-helixtrans-60.4-47.6175.3-171.2-165.272.376.3-1.2111.3T416 E417 V418 K423 L424T416-R420 WeakPolarHBondContact O-CB 3.24Å; T416-R420 PolarHBondContact O-N 3.4Å; E417-R420 VanDerWaalsContact CD-NE 3.28Å; E417-R420 WeakPolarHBondContact O-CB 3.48Å; E417-R420 PolarHBondContact O-N 3.25Å; E417-R420 IonicContact OE1-CZ 3.65Å; E417-R420 IonicContact OE1-NE 3.3Å; E417-R420 PolarHBondContact OE1-NE 3.33Å; E417-R420 IonicContact OE1-NH2 2.73Å; E417-R420 PolarHBondContact OE1-NH2 2.8Å; E417-R420 WeakPolarHBondContact OE2-CD 3.4Å; E417-R420 IonicContact OE2-CZ 2.87Å; E417-R420 IonicContact OE2-NE 3.9Å; E417-R420 PolarHBondContact OE2-NE 3.36Å; E417-R420 IonicContact OE2-NH2 3.75Å; V418-R420 VanDerWaalsContact C-N 3.31Å; V418-R420 PolarHBondContact O-N 2.77Å; R420-K423 WeakPolarHBondContact O-CB 3.4Å; R420-K423 PolarHBondContact O-N 3.33Å; R420-L424 PolarHBondContact O-N 2.93Å; R420-L424 VanDerWaalsContact O-N 3.08Å
421V96.2Very high95.4Very high0 Ų068 Ų680%033%0.327CS..Hα-helixtrans-68.9-40.2-179.9173.60000111.8E417 V418 K423 L424 L425 L537 L541E417-V421 WeakPolarHBondContact O-CG2 3.29Å; E417-V421 PolarHBondContact O-N 2.55Å; V418-V421 PolarHBondContact O-N 3.01Å; V421-K423 VanDerWaalsContact C-N 3.29Å; V421-K423 PolarHBondContact O-N 3.33Å; V421-L424 WeakPolarHBondContact O-CB 3.31Å; V421-L424 PolarHBondContact O-N 3.36Å; V421-L424 VanDerWaalsContact O-N 3.12Å; V421-L425 HydrophobicContact CG1-CD1 3.81Å; V421-L425 HydrophobicContact CG1-CG 4.26Å; V421-L425 WeakPolarHBondContact O-CG 3.36Å; V421-L425 PolarHBondContact O-N 3.23Å; V421-L537 HydrophobicContact CB-CD1 4.08Å; V421-L537 HydrophobicContact CG1-CD1 3.49Å; V421-L537 VanDerWaalsContact CG1-CD1 3.49Å; V421-L541 HydrophobicContact CB-CD2 4.23Å; V421-L541 HydrophobicContact CG1-CG 4.46Å; V421-L541 HydrophobicContact CG2-CD2 3.81Å; V421-L541 HydrophobicContact CG2-CG 4.31Å
422L96Very high95.2Very high0 Ų070.9 Ų70.90%034%0.344CS..Hα-helixtrans-57.7-43.6174.7-72.5176.4000111.6V418 L419 L425 N426 F427 W429 M437 V439 M450 L452 L537V418-L422 HydrophobicContact CG1-CD1 3.91Å; V418-L422 HydrophobicContact CG1-CG 4.21Å; V418-L422 WeakPolarHBondContact O-CB 3.4Å; V418-L422 VanDerWaalsContact O-CG 3.23Å; V418-L422 WeakPolarHBondContact O-CG 3.5Å; V418-L422 PolarHBondContact O-N 3.41Å; L419-L422 PolarHBondContact O-N 3.42Å; L422-L425 PolarHBondContact O-N 3.45Å; L422-N426 PolarHBondContact O-N 2.98Å; L422-F427 HydrophobicContact CD2-CB 4.11Å; L422-F427 HydrophobicContact CD2-CD2 3.61Å; L422-F427 HydrophobicContact CD2-CG 4.35Å; L422-F427 PolarHBondContact O-N 3.47Å; L422-W429 HydrophobicContact CB-CD2 4.37Å; L422-W429 HydrophobicContact CB-CE3 3.58Å; L422-W429 HydrophobicContact CB-CH2 4.33Å; L422-W429 HydrophobicContact CB-CZ3 3.55Å; L422-W429 HydrophobicContact CD1-CB 4.42Å; L422-W429 HydrophobicContact CD1-CD2 4.2Å; L422-W429 HydrophobicContact CD1-CE3 4.09Å; L422-W429 HydrophobicContact CD1-CG 4.35Å; L422-W429 HydrophobicContact CG-CE3 4.43Å; L422-M437 HydrophobicContact CD1-CE 4.5Å; L422-M437 HydrophobicContact CD1-SD 3.39Å; L422-M437 WeakPolarHBondContact CD1-SD 3.42Å; L422-V439 HydrophobicContact CD1-CG2 4.01Å; L422-V439 HydrophobicContact CD2-CG1 3.68Å; L422-V439 HydrophobicContact CD2-CG2 4.2Å; L422-M450 HydrophobicContact CD2-CE 4.5Å; L422-L452 HydrophobicContact CD1-CD1 4.35Å; L422-L537 HydrophobicContact CD2-CD1 4.15Å; L422-L537 HydrophobicContact CD2-CD2 3.97Å; L422-L537 HydrophobicContact CG-CD1 4.46Å
423K95Very high95Very high164 Ų16469.4 Ų69.471%0.71334%0.339SS*.Hα-helixtrans-60.9-44.9174.3-166.4175.6178.7177.20111.7L419 R420 V421 L425 N426 W429L419-K423 PolarHBondContact O-N 2.85Å; L419-K423 VanDerWaalsContact O-N 3.09Å; R420-K423 WeakPolarHBondContact O-CB 3.4Å; R420-K423 PolarHBondContact O-N 3.33Å; V421-K423 VanDerWaalsContact C-N 3.29Å; V421-K423 PolarHBondContact O-N 3.33Å; K423-L425 VanDerWaalsContact C-N 3.28Å; K423-L425 PolarHBondContact O-N 3.05Å; K423-N426 PolarHBondContact O-N 3.34Å; K423-W429 HydrophobicContact CB-CH2 3.79Å; K423-W429 HydrophobicContact CB-CZ3 4.31Å; K423-W429 HydrophobicContact CG-CH2 4.35Å
424L94.9Very high94.9Very high118 Ų11869.4 Ų69.462%0.61834%0.344SS*.Hα-helixtrans-60.6-37179179.565.3000112.3R420 V421 N426R420-L424 PolarHBondContact O-N 2.93Å; R420-L424 VanDerWaalsContact O-N 3.08Å; V421-L424 WeakPolarHBondContact O-CB 3.31Å; V421-L424 PolarHBondContact O-N 3.36Å; V421-L424 VanDerWaalsContact O-N 3.12Å; L424-N426 VanDerWaalsContact C-N 3.26Å; L424-N426 PolarHBondContact O-N 2.77Å
425L94.2Very high94.8Very high46 Ų4672.7 Ų72.724%0.24136%0.356CS..THydrogen-bonded Turntrans-83.94.2-179.6-64.9174.5000114V421 L422 K423 F427 A536 L537V421-L425 HydrophobicContact CG1-CD1 3.81Å; V421-L425 HydrophobicContact CG1-CG 4.26Å; V421-L425 WeakPolarHBondContact O-CG 3.36Å; V421-L425 PolarHBondContact O-N 3.23Å; L422-L425 PolarHBondContact O-N 3.45Å; K423-L425 VanDerWaalsContact C-N 3.28Å; K423-L425 PolarHBondContact O-N 3.05Å; L425-F427 VanDerWaalsContact C-N 3.29Å; L425-F427 HydrophobicContact CB-CD1 4.22Å; L425-F427 HydrophobicContact CB-CD2 4.49Å; L425-F427 HydrophobicContact CB-CE1 4.25Å; L425-F427 HydrophobicContact CB-CG 4.34Å; L425-F427 HydrophobicContact CB-CZ 4.41Å; L425-F427 HydrophobicContact CD1-CE2 4.37Å; L425-F427 WeakPolarHBondContact O-CD1 3.47Å; L425-F427 PolarHBondContact O-N 3.48Å; L425-A536 HydrophobicContact CD1-CB 4.16Å; L425-A536 WeakPolarHBondContact CD1-O 3.5Å; L425-A536 HydrophobicContact CD2-CB 4.42Å; L425-L537 HydrophobicContact CD1-CB 4.27Å; L425-L537 HydrophobicContact CD1-CD1 4.45Å
426N93.9Very high94.6Very high103 Ų10372.7 Ų72.755%0.55136%0.358SS*.THydrogen-bonded Turntrans55.144.5-175.5-164.740.6000112.3L422 K423 L424 A442L422-N426 PolarHBondContact O-N 2.98Å; K423-N426 PolarHBondContact O-N 3.34Å; L424-N426 VanDerWaalsContact C-N 3.26Å; L424-N426 PolarHBondContact O-N 2.77Å; N426-A442 WeakPolarHBondContact O-CB 3.33Å; N426-A442 PolarHBondContact O-N 2.92Å; N426-A442 VanDerWaalsContact O-N 3.16Å
427F95Very high94.6Very high16 Ų1668.5 Ų68.57%0.0733%0.332CS..EExtended strand (participates in β ladder)trans-93.9153.4170.2-70-1.3000110L422 L425 W429 V439 R440 R441 M450 M533L422-F427 HydrophobicContact CD2-CB 4.11Å; L422-F427 HydrophobicContact CD2-CD2 3.61Å; L422-F427 HydrophobicContact CD2-CG 4.35Å; L422-F427 PolarHBondContact O-N 3.47Å; L425-F427 VanDerWaalsContact C-N 3.29Å; L425-F427 HydrophobicContact CB-CD1 4.22Å; L425-F427 HydrophobicContact CB-CD2 4.49Å; L425-F427 HydrophobicContact CB-CE1 4.25Å; L425-F427 HydrophobicContact CB-CG 4.34Å; L425-F427 HydrophobicContact CB-CZ 4.41Å; L425-F427 HydrophobicContact CD1-CE2 4.37Å; L425-F427 WeakPolarHBondContact O-CD1 3.47Å; L425-F427 PolarHBondContact O-N 3.48Å; F427-W429 VanDerWaalsContact O-CE3 3.26Å; F427-W429 WeakPolarHBondContact O-CZ3 2.96Å; F427-V439 HydrophobicContact CB-CG1 3.83Å; F427-V439 HydrophobicContact CD2-CG1 3.73Å; F427-V439 HydrophobicContact CG-CG1 4.13Å; F427-R440 WeakPolarHBondContact CA-O 3.4Å; F427-R441 HydrophobicContact CD1-CB 4.26Å; F427-R441 HydrophobicContact CD1-CG 4.02Å; F427-R441 HydrophobicContact CE1-CB 4.24Å; F427-R441 HydrophobicContact CE1-CG 3.86Å; F427-M450 HydrophobicContact CD2-CE 4.1Å; F427-M450 HydrophobicContact CE2-CE 3.96Å; F427-M533 HydrophobicContact CE2-CB 4.44Å; F427-M533 HydrophobicContact CE2-CE 4.5Å; F427-M533 HydrophobicContact CZ-CB 4.29Å; F427-M533 HydrophobicContact CZ-CG 4.18Å
428E93.7Very high94.6Very high72 Ų7268.3 Ų68.334%0.33633%0.332SS..EExtended strand (participates in β ladder)trans-107.8144.7170.3-68.8174.2-169.400109V439 R440 A442E428-V439 CarbonylContact O-C 3.48Å; E428-V439 WeakPolarHBondContact O-CA 3.27Å; E428-R440 HydrophobicContact CB-CG 3.98Å; E428-R440 PolarHBondContact N-O 3.44Å; E428-R440 PolarHBondContact O-N 3.01Å; E428-R440 VanDerWaalsContact O-O 3.12Å; E428-R440 IonicContact OE2-CZ 3.94Å; E428-R440 IonicContact OE2-NE 3.48Å; E428-R440 PolarHBondContact OE2-NE 2.91Å; E428-R440 IonicContact OE2-NH2 2.75Å; E428-R440 PolarHBondContact OE2-NH2 3.19Å; E428-A442 HydrophobicContact CG-CB 3.9Å
429W95.2Very high94.5Very high91 Ų9168.2 Ų68.235%0.34533%0.332SS..EExtended strand (participates in β ladder)trans-141.2155.4-178.659.387000112.9L419 L422 K423 F427 M437 I438 V439L419-W429 HydrophobicContact CD2-CD2 4.34Å; L419-W429 HydrophobicContact CD2-CG 4.39Å; L419-W429 HydrophobicContact CD2-CZ2 4.24Å; L422-W429 HydrophobicContact CB-CD2 4.37Å; L422-W429 HydrophobicContact CB-CE3 3.58Å; L422-W429 HydrophobicContact CB-CH2 4.33Å; L422-W429 HydrophobicContact CB-CZ3 3.55Å; L422-W429 HydrophobicContact CD1-CB 4.42Å; L422-W429 HydrophobicContact CD1-CD2 4.2Å; L422-W429 HydrophobicContact CD1-CE3 4.09Å; L422-W429 HydrophobicContact CD1-CG 4.35Å; L422-W429 HydrophobicContact CG-CE3 4.43Å; K423-W429 HydrophobicContact CB-CH2 3.79Å; K423-W429 HydrophobicContact CB-CZ3 4.31Å; K423-W429 HydrophobicContact CG-CH2 4.35Å; F427-W429 VanDerWaalsContact O-CE3 3.26Å; F427-W429 WeakPolarHBondContact O-CZ3 2.96Å; W429-M437 HydrophobicContact CB-SD 4.38Å; W429-I438 CarbonylContact C-O 3.57Å; W429-I438 WeakPolarHBondContact CA-O 3.49Å; W429-V439 HydrophobicContact CB-CG2 4.12Å
430K94.7Very high94.3Very high152 Ų15270.3 Ų70.366%0.66134%0.336SS*.EExtended strand (participates in β ladder)trans-124.9116.7170.4-177.5178.61801790108.6T432 M437 I438K430-T432 PolarHBondContact O-N 3.23Å; K430-M437 WeakPolarHBondContact O-CA 3.31Å; K430-I438 PolarHBondContact N-O 3.4Å; K430-I438 PolarHBondContact O-N 3.08Å
431I94.7Very high94Very high96 Ų9670.5 Ų70.549%0.49234%0.337SS..EExtended strand (participates in β ladder)trans-72126.6176.2-59.5175.9000108.5N433I431-N433 WeakPolarHBondContact CG2-O 3.29Å
432T90.6Very high93.5Very high76 Ų7671 Ų7147%0.46634%0.341SS..EExtended strand (participates in β ladder)trans-99.8-33.4177.153.40000111.3K430 S436 I438K430-T432 PolarHBondContact O-N 3.23Å; T432-S436 PolarHBondContact N-O 3.48Å; T432-S436 VanDerWaalsContact OG1-C 3.26Å; T432-S436 WeakPolarHBondContact OG1-CB 3Å; T432-S436 PolarHBondContact OG1-O 3.24Å; T432-S436 VanDerWaalsContact OG1-O 3.05Å; T432-S436 PolarHBondContact OG1-OG 3.27Å; T432-S436 VanDerWaalsContact OG1-OG 3.08Å; T432-I438 HydrophobicContact CG2-CD1 4.07Å; T432-I438 HydrophobicContact CG2-CG1 4.08Å
433N90.8Very high92.7Very high68 Ų6878.2 Ų78.236%0.36438%0.38SS..EExtended strand (participates in β ladder)trans-155.3172.9166.669.359.4000109.4I431 Y435 S436I431-N433 WeakPolarHBondContact CG2-O 3.29Å; N433-Y435 PolarHBondContact O-N 3.17Å; N433-Y435 PolarHBondContact OD1-N 3.15Å; N433-S436 PolarHBondContact N-O 3.05Å; N433-S436 WeakPolarHBondContact ND2-CB 3.43Å; N433-S436 PolarHBondContact O-N 2.64Å; N433-S436 VanDerWaalsContact OD1-CB 3.27Å; N433-S436 WeakPolarHBondContact OD1-CB 3.34Å; N433-S436 PolarHBondContact OD1-N 2.76Å; N433-S436 VanDerWaalsContact OD1-N 3.1Å
434P93.6Very high91.7Very high99 Ų9972.2 Ų72.264%0.64336%0.359SS*.THydrogen-bonded Turntrans-54.2-21.3-175.5-29.437000116.1
435Y94.5Very high90.6Very high87 Ų8773.9 Ų73.934%0.34137%0.368SS..THydrogen-bonded Turntrans-121.715.4-176.3-56.7-60000112.5P411 E412 M415 N433 Q453 L454P411-Y435 HydrophobicContact CB-CD1 4.45Å; P411-Y435 HydrophobicContact CB-CE1 3.83Å; P411-Y435 HydrophobicContact CG-CE1 4.47Å; E412-Y435 PolarHBondContact OE1-OH 3.02Å; E412-Y435 VanDerWaalsContact OE1-OH 3.09Å; M415-Y435 HydrophobicContact CG-CD1 3.98Å; N433-Y435 PolarHBondContact O-N 3.17Å; N433-Y435 PolarHBondContact OD1-N 3.15Å; Y435-Q453 PolarHBondContact O-NE2 3.37Å; Y435-Q453 VanDerWaalsContact O-NE2 3.17Å; Y435-L454 HydrophobicContact CD1-CD2 4.05Å; Y435-L454 PolarHBondContact O-N 3.37Å
436S93.1Very high89.7Confident16 Ų1675.3 Ų75.311%0.11238%0.376CS..EExtended strand (participates in β ladder)trans-146.7137.1-175.1-164.50000111.8T432 N433 L452 Q453T432-S436 PolarHBondContact N-O 3.48Å; T432-S436 VanDerWaalsContact OG1-C 3.26Å; T432-S436 WeakPolarHBondContact OG1-CB 3Å; T432-S436 PolarHBondContact OG1-O 3.24Å; T432-S436 VanDerWaalsContact OG1-O 3.05Å; T432-S436 PolarHBondContact OG1-OG 3.27Å; T432-S436 VanDerWaalsContact OG1-OG 3.08Å; N433-S436 PolarHBondContact N-O 3.05Å; N433-S436 WeakPolarHBondContact ND2-CB 3.43Å; N433-S436 PolarHBondContact O-N 2.64Å; N433-S436 VanDerWaalsContact OD1-CB 3.27Å; N433-S436 WeakPolarHBondContact OD1-CB 3.34Å; N433-S436 PolarHBondContact OD1-N 2.76Å; N433-S436 VanDerWaalsContact OD1-N 3.1Å; S436-L452 VanDerWaalsContact CA-O 3.32Å; S436-L452 WeakPolarHBondContact CA-O 3.43Å; S436-Q453 PolarHBondContact OG-OE1 2.89Å
437M95.1Very high88.8Confident2 Ų271.2 Ų71.21%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-151.8155.117863.7-178.286.200112.3M415 V418 L419 L422 W429 K430 V439 A451 L452M415-M437 HydrophobicContact CE-CE 3.23Å; V418-M437 HydrophobicContact CG1-CE 4Å; V418-M437 HydrophobicContact CG1-SD 4.32Å; L419-M437 HydrophobicContact CD2-CE 3.89Å; L419-M437 HydrophobicContact CD2-SD 4.2Å; L419-M437 HydrophobicContact CG-CE 4.29Å; L422-M437 HydrophobicContact CD1-CE 4.5Å; L422-M437 HydrophobicContact CD1-SD 3.39Å; L422-M437 WeakPolarHBondContact CD1-SD 3.42Å; W429-M437 HydrophobicContact CB-SD 4.38Å; K430-M437 WeakPolarHBondContact O-CA 3.31Å; M437-V439 HydrophobicContact CG-CG2 3.92Å; M437-V439 HydrophobicContact SD-CG2 4.05Å; M437-A451 WeakPolarHBondContact O-CA 3.42Å; M437-L452 HydrophobicContact CG-CB 3.87Å; M437-L452 HydrophobicContact CG-CD1 4.18Å; M437-L452 HydrophobicContact CG-CG 4.34Å; M437-L452 PolarHBondContact N-O 3.09Å; M437-L452 PolarHBondContact O-N 3.18Å; M437-L452 HydrophobicContact SD-CD1 4.14Å
438I95.2Very high88.3Confident61 Ų6170.7 Ų70.731%0.31335%0.353SS..EExtended strand (participates in β ladder)trans-104.2130.1170-60.8173.7000107.7W429 K430 T432 K449 M450 L469W429-I438 CarbonylContact C-O 3.57Å; W429-I438 WeakPolarHBondContact CA-O 3.49Å; K430-I438 PolarHBondContact N-O 3.4Å; K430-I438 PolarHBondContact O-N 3.08Å; T432-I438 HydrophobicContact CG2-CD1 4.07Å; T432-I438 HydrophobicContact CG2-CG1 4.08Å; I438-K449 HydrophobicContact CG2-CB 4.3Å; I438-K449 HydrophobicContact CG2-CD 4.46Å; I438-M450 CarbonylContact C-O 3.52Å; I438-L469 HydrophobicContact CD1-CD1 4.31Å; I438-L469 HydrophobicContact CG1-CD1 4.13Å; I438-L469 HydrophobicContact CG2-CD1 3.73Å
439V94.7Very high88.2Confident0 Ų072.6 Ų72.60%036%0.36CS..EExtended strand (participates in β ladder)trans-121.2141.2-175-1740000109.8L422 F427 E428 W429 M437 K449 M450 L452L422-V439 HydrophobicContact CD1-CG2 4.01Å; L422-V439 HydrophobicContact CD2-CG1 3.68Å; L422-V439 HydrophobicContact CD2-CG2 4.2Å; F427-V439 HydrophobicContact CB-CG1 3.83Å; F427-V439 HydrophobicContact CD2-CG1 3.73Å; F427-V439 HydrophobicContact CG-CG1 4.13Å; E428-V439 CarbonylContact O-C 3.48Å; E428-V439 WeakPolarHBondContact O-CA 3.27Å; W429-V439 HydrophobicContact CB-CG2 4.12Å; M437-V439 HydrophobicContact CG-CG2 3.92Å; M437-V439 HydrophobicContact SD-CG2 4.05Å; V439-K449 WeakPolarHBondContact O-CA 3.34Å; V439-M450 HydrophobicContact CB-CE 3.8Å; V439-M450 HydrophobicContact CB-CG 3.86Å; V439-M450 HydrophobicContact CG1-CE 3.61Å; V439-M450 HydrophobicContact CG2-CE 4.3Å; V439-M450 PolarHBondContact N-O 3.09Å; V439-M450 PolarHBondContact O-N 3.11Å; V439-L452 HydrophobicContact CG2-CD1 3.7Å; V439-L452 HydrophobicContact CG2-CG 3.95Å
440R92.6Very high88.1Confident91 Ų9168.3 Ų68.334%0.34334%0.344SS..EExtended strand (participates in β ladder)trans-135.6159.5168.770.1175.3-174.5156.7-0.5110F427 E428 D445 K449F427-R440 WeakPolarHBondContact CA-O 3.4Å; E428-R440 HydrophobicContact CB-CG 3.98Å; E428-R440 PolarHBondContact N-O 3.44Å; E428-R440 PolarHBondContact O-N 3.01Å; E428-R440 VanDerWaalsContact O-O 3.12Å; E428-R440 IonicContact OE2-CZ 3.94Å; E428-R440 IonicContact OE2-NE 3.48Å; E428-R440 PolarHBondContact OE2-NE 2.91Å; E428-R440 IonicContact OE2-NH2 2.75Å; E428-R440 PolarHBondContact OE2-NH2 3.19Å; R440-D445 IonicContact NH1-OD1 2.85Å; R440-K449 HydrophobicContact CB-CG 4.27Å
441R90.3Very high88Confident122 Ų12262 Ų6246%0.4632%0.32SS..EExtended strand (participates in β ladder)trans-73.4134.6170.1-164.6170-172.4178.70.6109.2F427 T447F427-R441 HydrophobicContact CD1-CB 4.26Å; F427-R441 HydrophobicContact CD1-CG 4.02Å; F427-R441 HydrophobicContact CE1-CB 4.24Å; F427-R441 HydrophobicContact CE1-CG 3.86Å; R441-T447 HydrophobicContact CB-CG2 4.13Å
442A85.9Confident88.1Confident11 Ų1157.5 Ų57.59%0.09130%0.297CS..THydrogen-bonded Turntrans-62.3147.7175.500000110.2N426 E428 S444N426-A442 WeakPolarHBondContact O-CB 3.33Å; N426-A442 PolarHBondContact O-N 2.92Å; N426-A442 VanDerWaalsContact O-N 3.16Å; E428-A442 HydrophobicContact CG-CB 3.9Å; A442-S444 PolarHBondContact O-N 3.38Å; A442-S444 VanDerWaalsContact O-N 3.15Å
443N78Confident88.2Confident152 Ų15256 Ų5681%0.81329%0.285SS*.THydrogen-bonded Turntrans56.825.9176-53.4-31.5000115.4
444S75.4Confident88.4Confident37 Ų3753.3 Ų53.326%0.25927%0.27SS..  trans-136.897177.2-1690000111.9A442 D446 T447A442-S444 PolarHBondContact O-N 3.38Å; A442-S444 VanDerWaalsContact O-N 3.15Å; S444-D446 VanDerWaalsContact C-N 3.27Å; S444-D446 PolarHBondContact O-N 3.32Å; S444-T447 PolarHBondContact O-N 3.05Å; S444-T447 PolarHBondContact O-OG1 3.04Å; S444-T447 WeakPolarHBondContact OG-CG2 3.45Å
445D71.6Confident88.4Confident154 Ų15451.9 Ų51.982%0.82425%0.253SS*.THydrogen-bonded Turntrans-72.1-20.5179.5-72.8-24000113.3R440R440-D445 IonicContact NH1-OD1 2.85Å
446D76.3Confident88.3Confident76 Ų7653.7 Ų53.741%0.40626%0.264SS..THydrogen-bonded Turntrans-91.1-2.3180-149.739.6000112.6S444 K523 Q526S444-D446 VanDerWaalsContact C-N 3.27Å; S444-D446 PolarHBondContact O-N 3.32Å; D446-K523 IonicContact OD1-NZ 3.74Å; D446-K523 PolarHBondContact OD1-NZ 3.37Å; D446-Q526 PolarHBondContact O-NE2 3.36Å
447T74.1Confident88Confident17 Ų1756 Ų5610%0.10428%0.278CS..SBendtrans-80.9140.6177.353.40000112.5R441 S444R441-T447 HydrophobicContact CB-CG2 4.13Å; S444-T447 PolarHBondContact O-N 3.05Å; S444-T447 PolarHBondContact O-OG1 3.04Å; S444-T447 WeakPolarHBondContact OG-CG2 3.45Å
448P84Confident87.6Confident5 Ų559.8 Ų59.83%0.03230%0.298CS..PPolyproline II helixtrans-63.1145.9175.527.3-33.8000110L529 F530 M533P448-L529 HydrophobicContact CG-CB 3.8Å; P448-F530 HydrophobicContact CG-CB 4.12Å; P448-M533 HydrophobicContact CG-SD 4.2Å; P448-M533 VanDerWaalsContact O-SD 3.39Å
449K91.3Very high87.1Confident112 Ų11261.7 Ų61.749%0.48732%0.317SS..EExtended strand (participates in β ladder)trans-80.6146.4166.6-62.6178.4-176.6172.60108.1I438 V439 R440 L469I438-K449 HydrophobicContact CG2-CB 4.3Å; I438-K449 HydrophobicContact CG2-CD 4.46Å; V439-K449 WeakPolarHBondContact O-CA 3.34Å; R440-K449 HydrophobicContact CB-CG 4.27Å; K449-L469 HydrophobicContact CB-CB 4.04Å; K449-L469 HydrophobicContact CB-CD1 4.02Å; K449-L469 WeakPolarHBondContact O-CB 3.38Å; K449-L469 PolarHBondContact O-N 3.24Å
450M93.2Very high86.8Confident0 Ų070.8 Ų70.80%035%0.351CS..EExtended strand (participates in β ladder)trans-122.6142.5170.767.2179.1-179.200110.4L422 F427 I438 V439 L452 K467 F530 M533 L537L422-M450 HydrophobicContact CD2-CE 4.5Å; F427-M450 HydrophobicContact CD2-CE 4.1Å; F427-M450 HydrophobicContact CE2-CE 3.96Å; I438-M450 CarbonylContact C-O 3.52Å; V439-M450 HydrophobicContact CB-CE 3.8Å; V439-M450 HydrophobicContact CB-CG 3.86Å; V439-M450 HydrophobicContact CG1-CE 3.61Å; V439-M450 HydrophobicContact CG2-CE 4.3Å; V439-M450 PolarHBondContact N-O 3.09Å; V439-M450 PolarHBondContact O-N 3.11Å; M450-L452 HydrophobicContact CE-CD2 4.31Å; M450-L452 HydrophobicContact SD-CD2 4.26Å; M450-K467 CarbonylContact C-O 3.59Å; M450-K467 VanDerWaalsContact CA-O 3.22Å; M450-K467 WeakPolarHBondContact CA-O 3.44Å; M450-F530 HydrophobicContact CB-CD2 4.16Å; M450-F530 HydrophobicContact CB-CE2 4.06Å; M450-M533 HydrophobicContact CE-CE 4.22Å; M450-M533 HydrophobicContact CG-CE 4.1Å; M450-M533 HydrophobicContact SD-CB 4.17Å; M450-M533 HydrophobicContact SD-CE 4.15Å; M450-L537 HydrophobicContact CE-CD2 3.84Å
451A94Very high86.8Confident20 Ų2067 Ų6717%0.16534%0.338CS..EExtended strand (participates in β ladder)trans-95.6135.4167.600000109.5M437 K467 L469M437-A451 WeakPolarHBondContact O-CA 3.42Å; A451-K467 HydrophobicContact CB-CB 4.32Å; A451-K467 PolarHBondContact N-O 3Å; A451-K467 PolarHBondContact O-N 3.49Å; A451-L469 HydrophobicContact CB-CD1 4.2Å; A451-L469 HydrophobicContact CB-CD2 4.05Å; A451-L469 HydrophobicContact CB-CG 4.2Å
452L95.4Very high87Confident2 Ų263.3 Ų63.31%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-109.9132.2170.8-57.6-178.6000108.5V418 L422 S436 M437 V439 M450 L464 D465 F466 L537V418-L452 HydrophobicContact CG1-CD1 3.99Å; L422-L452 HydrophobicContact CD1-CD1 4.35Å; S436-L452 VanDerWaalsContact CA-O 3.32Å; S436-L452 WeakPolarHBondContact CA-O 3.43Å; M437-L452 HydrophobicContact CG-CB 3.87Å; M437-L452 HydrophobicContact CG-CD1 4.18Å; M437-L452 HydrophobicContact CG-CG 4.34Å; M437-L452 PolarHBondContact N-O 3.09Å; M437-L452 PolarHBondContact O-N 3.18Å; M437-L452 HydrophobicContact SD-CD1 4.14Å; V439-L452 HydrophobicContact CG2-CD1 3.7Å; V439-L452 HydrophobicContact CG2-CG 3.95Å; M450-L452 HydrophobicContact CE-CD2 4.31Å; M450-L452 HydrophobicContact SD-CD2 4.26Å; L452-L464 HydrophobicContact CB-CD1 4.27Å; L452-D465 WeakPolarHBondContact CA-O 3.35Å; L452-F466 HydrophobicContact CD2-CD1 3.37Å; L452-F466 HydrophobicContact CD2-CE1 3.78Å; L452-F466 HydrophobicContact CD2-CG 4.06Å; L452-L537 HydrophobicContact CD1-CD2 3.68Å; L452-L537 HydrophobicContact CD2-CD2 4.19Å
453Q94.3Very high87.3Confident44 Ų4463.2 Ų63.221%0.20632%0.323CS..EExtended strand (participates in β ladder)trans-137125.3178.9178.864.756.500109.9Y435 S436 Y455 D465Y435-Q453 PolarHBondContact O-NE2 3.37Å; Y435-Q453 VanDerWaalsContact O-NE2 3.17Å; S436-Q453 PolarHBondContact OG-OE1 2.89Å; Q453-Y455 HydrophobicContact CB-CD2 4.47Å; Q453-Y455 HydrophobicContact CB-CE2 3.84Å; Q453-Y455 HydrophobicContact CG-CD1 4.34Å; Q453-Y455 HydrophobicContact CG-CD2 3.94Å; Q453-Y455 HydrophobicContact CG-CE1 3.8Å; Q453-Y455 HydrophobicContact CG-CE2 3.38Å; Q453-Y455 HydrophobicContact CG-CG 4.41Å; Q453-D465 PolarHBondContact N-O 3.35Å; Q453-D465 PolarHBondContact O-N 2.88Å
454L95Very high88.2Confident11 Ų1156.2 Ų56.26%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-87.8128.7171.5-167.171.7000109.3P411 I414 M415 Y435 L463 L464P411-L454 HydrophobicContact CB-CD2 3.77Å; I414-L454 HydrophobicContact CB-CD2 4.46Å; I414-L454 HydrophobicContact CD1-CD1 4.43Å; I414-L454 HydrophobicContact CG2-CD1 3.85Å; I414-L454 HydrophobicContact CG2-CD2 4.38Å; M415-L454 HydrophobicContact CG-CD2 4.15Å; M415-L454 HydrophobicContact SD-CB 4Å; M415-L454 HydrophobicContact SD-CD2 4.13Å; Y435-L454 HydrophobicContact CD1-CD2 4.05Å; Y435-L454 PolarHBondContact O-N 3.37Å; L454-L463 WeakPolarHBondContact CA-O 3.3Å; L454-L464 HydrophobicContact CD1-CB 4.22Å; L454-L464 HydrophobicContact CD1-CD1 4.39Å
455Y92.5Very high89Confident69 Ų6955.8 Ų55.827%0.27128%0.28SS..EExtended strand (participates in β ladder)trans-116.2149.6175-67-77.4000110.2L190 Q453 Y462 L463 D465L190-Y455 HydrophobicContact CD1-CE1 3.64Å; Q453-Y455 HydrophobicContact CB-CD2 4.47Å; Q453-Y455 HydrophobicContact CB-CE2 3.84Å; Q453-Y455 HydrophobicContact CG-CD1 4.34Å; Q453-Y455 HydrophobicContact CG-CD2 3.94Å; Q453-Y455 HydrophobicContact CG-CE1 3.8Å; Q453-Y455 HydrophobicContact CG-CE2 3.38Å; Q453-Y455 HydrophobicContact CG-CG 4.41Å; Y455-Y462 CarbonylContact O-C 3.56Å; Y455-Y462 WeakPolarHBondContact O-CA 3.44Å; Y455-L463 HydrophobicContact CD2-CD2 4.17Å; Y455-L463 PolarHBondContact N-O 3.35Å; Y455-L463 PolarHBondContact O-N 3.14Å; Y455-D465 HydrophobicContact CD2-CB 3.94Å; Y455-D465 HydrophobicContact CE2-CB 3.68Å
456Q92.3Very high90.1Very high125 Ų12549.6 Ų49.658%0.58425%0.246SC*.EExtended strand (participates in β ladder)trans-89.6127.2166.5-173.3174.215.500109.1D458 Y462Q456-D458 WeakPolarHBondContact CG-O 3.46Å; Q456-D458 PolarHBondContact NE2-O 2.96Å; Q456-Y462 HydrophobicContact CB-CD1 4.11Å; Q456-Y462 HydrophobicContact CB-CE1 4.09Å; Q456-Y462 HydrophobicContact CG-CD1 4.28Å; Q456-Y462 HydrophobicContact CG-CE1 4Å
457V87Confident90.7Very high66 Ų6648.2 Ų48.240%0.424%0.236SC..EExtended strand (participates in β ladder)trans-96.8-41.6178.9177.60000110.6S461 L463V457-S461 WeakPolarHBondContact CB-OG 3.35Å; V457-S461 PolarHBondContact N-O 3.08Å; V457-L463 HydrophobicContact CG2-CB 3.48Å; V457-L463 VanDerWaalsContact CG2-CB 3.48Å; V457-L463 HydrophobicContact CG2-CD1 4.27Å
458D86.4Confident91.5Very high80 Ų8049.8 Ų49.843%0.42825%0.248SC..EExtended strand (participates in β ladder)trans-148.6-173.8172.466.256.6000110.8Q456 R460 S461Q456-D458 WeakPolarHBondContact CG-O 3.46Å; Q456-D458 PolarHBondContact NE2-O 2.96Å; D458-R460 PolarHBondContact O-N 3.07Å; D458-R460 WeakPolarHBondContact OD1-CA 3.24Å; D458-R460 PolarHBondContact OD1-N 2.94Å; D458-S461 PolarHBondContact N-O 3.15Å; D458-S461 PolarHBondContact O-N 3.31Å; D458-S461 PolarHBondContact OD1-N 2.88Å; D458-S461 PolarHBondContact OD1-OG 3.28Å; D458-S461 WeakPolarHBondContact OD2-CB 3.45Å; D458-S461 PolarHBondContact OD2-OG 2.93Å
459S84.9Confident91.5Very high101 Ų10151.7 Ų51.771%0.70626%0.257SS*.THydrogen-bonded Turntrans-57.2-18-178.460.80000115.7
460R88.4Confident90.4Very high192 Ų19250.3 Ų50.373%0.72527%0.267SS*.THydrogen-bonded Turntrans-135.13.3-174.4-62.6-175.3-178.6-163.8-0.8113.5Q408 D458Q408-R460 WeakPolarHBondContact CA-O 3.45Å; D458-R460 PolarHBondContact O-N 3.07Å; D458-R460 WeakPolarHBondContact OD1-CA 3.24Å; D458-R460 PolarHBondContact OD1-N 2.94Å
461S91.9Very high88.9Confident11 Ų1154.5 Ų54.58%0.07729%0.294CS..EExtended strand (participates in β ladder)trans-131136.4-177.579.20000112.5V457 D458V457-S461 WeakPolarHBondContact CB-OG 3.35Å; V457-S461 PolarHBondContact N-O 3.08Å; D458-S461 PolarHBondContact N-O 3.15Å; D458-S461 PolarHBondContact O-N 3.31Å; D458-S461 PolarHBondContact OD1-N 2.88Å; D458-S461 PolarHBondContact OD1-OG 3.28Å; D458-S461 WeakPolarHBondContact OD2-CB 3.45Å; D458-S461 PolarHBondContact OD2-OG 2.93Å
462Y94.5Very high86.7Confident45 Ų4558.1 Ų58.118%0.17632%0.318CS..EExtended strand (participates in β ladder)trans-121.2150.1179.5-58.4-87.7000109.6R406 S407 S409 P411 I414 Y455 Q456R406-Y462 CarbonylContact C-O 3.48Å; R406-Y462 VanDerWaalsContact CA-O 3.24Å; R406-Y462 WeakPolarHBondContact CA-O 3.35Å; S407-Y462 PolarHBondContact N-O 3.27Å; S407-Y462 PolarHBondContact O-N 2.94Å; S409-Y462 WeakPolarHBondContact O-CD2 3.16Å; P411-Y462 HydrophobicContact CB-CD1 4.16Å; P411-Y462 HydrophobicContact CB-CE1 3.9Å; P411-Y462 HydrophobicContact CG-CE1 3.95Å; P411-Y462 HydrophobicContact CG-CE2 4.36Å; I414-Y462 HydrophobicContact CD1-CD2 4.01Å; I414-Y462 HydrophobicContact CD1-CG 4.11Å; Y455-Y462 CarbonylContact O-C 3.56Å; Y455-Y462 WeakPolarHBondContact O-CA 3.44Å; Q456-Y462 HydrophobicContact CB-CD1 4.11Å; Q456-Y462 HydrophobicContact CB-CE1 4.09Å; Q456-Y462 HydrophobicContact CG-CD1 4.28Å; Q456-Y462 HydrophobicContact CG-CE1 4Å
463L93.8Very high83.7Confident8 Ų864.8 Ų64.84%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-127.3123.2-178.6176.9141.4000109.6L403 I405 R406 L454 Y455 V457 D465L403-L463 HydrophobicContact CB-CD1 4.27Å; L403-L463 HydrophobicContact CD2-CD2 3.96Å; L403-L463 HydrophobicContact CG-CD2 4.19Å; L403-L463 WeakPolarHBondContact O-CD1 3.38Å; I405-L463 CarbonylContact O-C 3.55Å; I405-L463 WeakPolarHBondContact O-CA 3.36Å; R406-L463 HydrophobicContact CG-CB 4.29Å; R406-L463 HydrophobicContact CG-CD1 3.98Å; R406-L463 HydrophobicContact CG-CG 4.42Å; L454-L463 WeakPolarHBondContact CA-O 3.3Å; Y455-L463 HydrophobicContact CD2-CD2 4.17Å; Y455-L463 PolarHBondContact N-O 3.35Å; Y455-L463 PolarHBondContact O-N 3.14Å; V457-L463 HydrophobicContact CG2-CB 3.48Å; V457-L463 VanDerWaalsContact CG2-CB 3.48Å; V457-L463 HydrophobicContact CG2-CD1 4.27Å; L463-D465 HydrophobicContact CD2-CB 4.08Å
464L95.4Very high80.7Confident5 Ų570.9 Ų70.93%0.02638%0.382CS..EExtended strand (participates in β ladder)trans-91.3114.7171.8-174.668.7000108.5G404 I405 V418 L452 L454 F466 L541G404-L464 VanDerWaalsContact CA-O 3.31Å; G404-L464 WeakPolarHBondContact CA-O 3.47Å; I405-L464 HydrophobicContact CD1-CB 4.47Å; I405-L464 HydrophobicContact CD1-CD2 4.1Å; I405-L464 HydrophobicContact CG1-CB 3.84Å; I405-L464 HydrophobicContact CG1-CD2 4.31Å; I405-L464 PolarHBondContact N-O 3.41Å; I405-L464 VanDerWaalsContact N-O 3.12Å; I405-L464 PolarHBondContact O-N 3.12Å; V418-L464 HydrophobicContact CG2-CD2 3.73Å; L452-L464 HydrophobicContact CB-CD1 4.27Å; L454-L464 HydrophobicContact CD1-CB 4.22Å; L454-L464 HydrophobicContact CD1-CD1 4.39Å; L464-F466 HydrophobicContact CD2-CE1 4.48Å; L464-F466 HydrophobicContact CD2-CE2 4.41Å; L464-F466 HydrophobicContact CD2-CZ 3.91Å; L464-F466 HydrophobicContact CG-CE2 4.32Å; L464-F466 HydrophobicContact CG-CZ 4.28Å; L464-F466 WeakPolarHBondContact O-CE2 3.38Å; L464-L541 HydrophobicContact CD2-CD1 4.15Å
465D94.2Very high77.6Confident29 Ų2978.3 Ų78.316%0.15542%0.416CS..EExtended strand (participates in β ladder)trans-93.8149.8177-176.638.8000111.5L452 Q453 Y455 L463L452-D465 WeakPolarHBondContact CA-O 3.35Å; Q453-D465 PolarHBondContact N-O 3.35Å; Q453-D465 PolarHBondContact O-N 2.88Å; Y455-D465 HydrophobicContact CD2-CB 3.94Å; Y455-D465 HydrophobicContact CE2-CB 3.68Å; L463-D465 HydrophobicContact CD2-CB 4.08Å
466F93.7Very high74.5Confident24 Ų2481.2 Ų81.211%0.10544%0.441CS..EExtended strand (participates in β ladder)trans-125.8116-177.8-57.3-105.6000108.7I405 L452 L464 F530 C534 L537 I538I405-F466 HydrophobicContact CD1-CZ 4.26Å; I405-F466 HydrophobicContact CG1-CE2 4.11Å; I405-F466 HydrophobicContact CG1-CZ 4.26Å; I405-F466 HydrophobicContact CG2-CE2 4.41Å; L452-F466 HydrophobicContact CD2-CD1 3.37Å; L452-F466 HydrophobicContact CD2-CE1 3.78Å; L452-F466 HydrophobicContact CD2-CG 4.06Å; L464-F466 HydrophobicContact CD2-CE1 4.48Å; L464-F466 HydrophobicContact CD2-CE2 4.41Å; L464-F466 HydrophobicContact CD2-CZ 3.91Å; L464-F466 HydrophobicContact CG-CE2 4.32Å; L464-F466 HydrophobicContact CG-CZ 4.28Å; L464-F466 WeakPolarHBondContact O-CE2 3.38Å; F466-F530 HydrophobicContact CB-CZ 4.26Å; F466-C534 HydrophobicContact CD1-CB 4.33Å; F466-L537 HydrophobicContact CE1-CD2 3.77Å; F466-L537 HydrophobicContact CE1-CG 4.17Å; F466-I538 HydrophobicContact CE1-CD1 4.47Å; F466-I538 HydrophobicContact CE1-CG1 4.09Å; F466-I538 HydrophobicContact CE2-CD1 4.15Å; F466-I538 HydrophobicContact CE2-CG1 4.14Å; F466-I538 HydrophobicContact CZ-CD1 4.04Å; F466-I538 HydrophobicContact CZ-CG1 3.6Å
467K89.7Confident71.4Confident47 Ų4786 Ų8620%0.20445%0.453CS..EExtended strand (participates in β ladder)trans-119.3127-179.2-178.6177.7-178.7179.80111D167 G168 E169 M450 A451D167-K467 PolarHBondContact O-NZ 2.98Å; G168-K467 WeakPolarHBondContact O-CE 3.47Å; G168-K467 PolarHBondContact O-NZ 3.05Å; E169-K467 IonicContact OE1-NZ 3.01Å; M450-K467 CarbonylContact C-O 3.59Å; M450-K467 VanDerWaalsContact CA-O 3.22Å; M450-K467 WeakPolarHBondContact CA-O 3.44Å; A451-K467 HydrophobicContact CB-CB 4.32Å; A451-K467 PolarHBondContact N-O 3Å; A451-K467 PolarHBondContact O-N 3.49Å
468S89.2Confident68.5Low50 Ų5094.5 Ų94.535%0.3548%0.478SS..EExtended strand (participates in β ladder)trans-69.5130.5169.9-173.70000109.9F530S468-F530 VanDerWaalsContact N-CE2 3.34Å
469L84.8Confident65.9Low44 Ų4495 Ų9523%0.2349%0.488CS..EExtended strand (participates in β ladder)trans-100106.7170.8-58.9177.4000107.2I438 K449 A451I438-L469 HydrophobicContact CD1-CD1 4.31Å; I438-L469 HydrophobicContact CG1-CD1 4.13Å; I438-L469 HydrophobicContact CG2-CD1 3.73Å; K449-L469 HydrophobicContact CB-CB 4.04Å; K449-L469 HydrophobicContact CB-CD1 4.02Å; K449-L469 WeakPolarHBondContact O-CB 3.38Å; K449-L469 PolarHBondContact O-N 3.24Å; A451-L469 HydrophobicContact CB-CD1 4.2Å; A451-L469 HydrophobicContact CB-CD2 4.05Å; A451-L469 HydrophobicContact CB-CG 4.2Å
470A68.1Low63.2Low83 Ų8398.1 Ų98.169%0.68650%0.497SS*.  trans-54.6138.1176.100000109.7S472A470-S472 PolarHBondContact O-N 2.79Å; A470-S472 VanDerWaalsContact O-N 3.15Å
471P61.8Low60.6Low89 Ų8993.9 Ų93.958%0.57850%0.497SS*.  trans-56.5125.2170.722.6-29.7000107.8D473P471-D473 PolarHBondContact O-N 2.95Å
472S47Very low57.7Low96 Ų9698.9 Ų98.967%0.67153%0.529SS*.  trans-57.2112.5172.746.90000107.8A470 H474A470-S472 PolarHBondContact O-N 2.79Å; A470-S472 VanDerWaalsContact O-N 3.15Å; S472-H474 PolarHBondContact O-N 2.87Å
473D33.3Very low54.6Low142 Ų142102.8 Ų102.876%0.75956%0.563SS**  trans-60.586.4174.6-93.3-29.9000109.7P471 H475P471-D473 PolarHBondContact O-N 2.95Å; D473-H475 PolarHBondContact O-N 3.36Å; D473-H475 VanDerWaalsContact O-N 3.1Å
474H31.5Very low51.6Low171 Ų171105.7 Ų105.779%0.79260%0.595SS**  trans-80.754.1158.7-85.1-59.3000109.3S472S472-H474 PolarHBondContact O-N 2.87Å
475H28.4Very low48.4Very low168 Ų168111.4 Ų111.478%0.77864%0.635SS**  trans-118.858.2160.8-82.3-53.9000109.5D473 R477D473-H475 PolarHBondContact O-N 3.36Å; D473-H475 VanDerWaalsContact O-N 3.1Å; H475-R477 PolarHBondContact O-N 3.28Å
476V29.5Very low45.5Very low129 Ų129116.4 Ų116.478%0.78267%0.667SS**  trans-66105.9152.2177.60000105.8R478V476-R478 PolarHBondContact O-N 3.2Å
477R26.6Very low42.7Very low225 Ų225120.3 Ų120.385%0.84970%0.697SS**  trans-43.2112.9167.6-72.7178.9175.2-176.9-1.7108.2H475 S479H475-R477 PolarHBondContact O-N 3.28Å; R477-S479 PolarHBondContact O-N 3.34Å
478R25.6Very low39.8Very low245 Ų245126.7 Ų126.793%0.92573%0.727SS**  trans-64.377.8157.5-77.3-177.5173.9179.9-1.6107V476 N480V476-R478 PolarHBondContact O-N 3.2Å; R478-N480 PolarHBondContact O-N 2.84Å
479S32.5Very low37.2Very low91 Ų91131 Ų13164%0.63675%0.745SS**  trans-81103.1164.8520000107.3R477 S481R477-S479 PolarHBondContact O-N 3.34Å; S479-S481 PolarHBondContact O-N 2.92Å
480N27.8Very low34.6Very low166 Ų166134.9 Ų134.989%0.88877%0.766SS**  trans-44.9119.4162.7-75.8-20.9000109.6R478R478-N480 PolarHBondContact O-N 2.84Å
481S32.7Very low32.9Very low103 Ų103134.8 Ų134.872%0.7276%0.76SS**  trans-140.1144158.836.80000108.2S479S479-S481 PolarHBondContact O-N 2.92Å
482P32.5Very low31.4Very low117 Ų117136.4 Ų136.476%0.7677%0.769SS**  trans-81144.4-154.810.54.3000112.1G484P482-G484 PolarHBondContact O-N 3.25Å
483S28.9Very low30.8Very low127 Ų127137.8 Ų137.889%0.88877%0.773SS**  trans-4.7100158.252.90000116.6
484G31.3Very low30.6Very low69 Ų69136.7 Ų136.771%0.71177%0.773SS**  trans-134.9104.6161.900000108.6P482 V486P482-G484 PolarHBondContact O-N 3.25Å; G484-V486 PolarHBondContact O-N 2.63Å
485S28.1Very low30.6Very low124 Ų124138.6 Ų138.687%0.86778%0.78SS**  trans-53.2114.6-17650.10000113.5
486V33.5Very low30.8Very low135 Ų135133.7 Ų133.782%0.81877%0.774SS**  trans-138.1127.2156-176.50000109.1G484G484-V486 PolarHBondContact O-N 2.63Å
487S33.6Very low30.6Very low105 Ų105137 Ų13773%0.73478%0.778SS**  trans-36.6128.9-176.535.60000116.6I489S487-I489 PolarHBondContact O-N 3.35Å
488Q29.2Very low30.8Very low181 Ų181134.7 Ų134.785%0.84678%0.782SS**  trans-53.6123.9165.9-68178.8-28.300110.8
489I35.3Very low31Very low141 Ų141128.1 Ų128.172%0.72377%0.769SS**  trans-100.691.1154.1-63.7177.6000105.5S487S487-I489 PolarHBondContact O-N 3.35Å
490D28.5Very low30.9Very low126 Ų126131.3 Ų131.367%0.67478%0.779SS**  trans-73.1123.9165.5-145.4-12.6000107.7
491S34.4Very low31.1Very low80 Ų80127.6 Ų127.656%0.55977%0.771SS**  trans-145.767.3166.745.20000108.9V493S491-V493 PolarHBondContact O-N 2.86Å
492T29.3Very low31.2Very low124 Ų124131 Ų13176%0.76178%0.776SS**  trans-61.4116.6150.6280000108.3
493V34Very low31.1Very low125 Ų125132 Ų13276%0.75878%0.775SS**  trans-116.9124.8165.1-175.60000107.1S491S491-V493 PolarHBondContact O-N 2.86Å
494P30.3Very low31.2Very low119 Ų119131.3 Ų131.377%0.77377%0.768SS**  trans-77.3130.5-177.230.5-30.9000110.1G496P494-G496 PolarHBondContact O-N 2.87Å
495F31.3Very low31.1Very low211 Ų211133.8 Ų133.893%0.92577%0.773SS**  trans-74.1110.7172.7-136.1-90.1000109.1
496G31Very low31.4Very low64 Ų64137.6 Ų137.666%0.6677%0.774SS**  trans-69.5134.5173.400000111.6P494P494-G496 PolarHBondContact O-N 2.87Å
497K26.8Very low31.1Very low198 Ų198140.1 Ų140.186%0.86178%0.777SS**  trans-63.3132.4177.7-67.9172.9175.3177.90111.5
498L30.7Very low31Very low178 Ų178143.6 Ų143.693%0.93278%0.784SS**  trans-119.8126151.3-99.1149.4000107.7
499T30.1Very low31.2Very low107 Ų107139.9 Ų139.966%0.65678%0.778SS**  trans-87.5156.7-16743.90000113.2
500N28.7Very low30.8Very low157 Ų157141.4 Ų141.484%0.8479%0.788SS**  trans86.797.8156.1-62.1-10.7000118.4
501A33.7Very low31Very low88 Ų88138.9 Ų138.973%0.72779%0.792SS**  -178.7113.9103.100000111.4
502Q33Very low30.7Very low176 Ų176144.3 Ų144.382%0.82281%0.808SS**  trans34.6134.5131.6-68.9174.7-5200118.8
503D30.9Very low30.9Very low138 Ų138145.4 Ų145.474%0.73881%0.814SS**  cis-172.7163.813.3-127.3-38000108.3
504C32.4Very low30.7Very low111 Ų111147.9 Ų147.975%0.7582%0.817SS**  trans83.687.5164.5-72.10000122
505C28.4Very low30.6Very low121 Ų121147.1 Ų147.182%0.81882%0.822SS**  34.1137120.5-54.80000120.6
506K33.8Very low30.7Very low204 Ų204143.3 Ų143.389%0.88782%0.815SS**  -156.3144.350.6-80177.6172.3175.20113.6
507E28Very low30.6Very low189 Ų189149.3 Ų149.388%0.88383%0.826SS**  trans-76.1148.8166.2-62.9175.9148.200112.1
508M32.2Very low31Very low178 Ų178149.1 Ų149.188%0.87783%0.828SS**  trans-147.1109.8147.8-79.2-163.870.600112.1
509S31.7Very low31.2Very low103 Ų103147.7 Ų147.772%0.7282%0.821SS**  trans20.4132.914362.20000123
510N27.9Very low31.3Very low173 Ų173150.7 Ų150.793%0.92583%0.833SS**  trans-44.5132.1160.6-67.1-27.5000114.4
511G31.9Very low31.8Very low73 Ų73151.2 Ų151.275%0.75383%0.832SS**  trans-145.3137.4167.800000110.4
512E29.6Very low32.5Very low194 Ų194153.8 Ų153.891%0.90784%0.84SS**  trans-60145.3-164.3-65.3163.3132.600115.8Q514E512-Q514 PolarHBondContact O-N 3.43Å
513V32.3Very low34Very low147 Ų147153 Ų15389%0.89183%0.834SS**  trans-84.3107.2175.5-179.70000109.6
514Q30.3Very low35.9Very low176 Ų176152.3 Ų152.382%0.82283%0.826SS**  trans-96.4124.8157.1-79.3-176.6-0.100109.3E512 V516E512-Q514 PolarHBondContact O-N 3.43Å; Q514-V516 PolarHBondContact O-N 2.93Å
515A28.3Very low38.4Very low104 Ų104150 Ų15086%0.8681%0.811SS**  trans-70.4119.1177.200000110.4
516V33Very low41.1Very low130 Ų130147.1 Ų147.179%0.78879%0.785SS**  trans-114.4133.5170.7-175.90000109.1Q514Q514-V516 PolarHBondContact O-N 2.93Å
517Q29.2Very low43.6Very low191 Ų191141.3 Ų141.389%0.89377%0.767SS**  trans-57130.4-177.1-66.5163.7-20.800111.6
518H35.5Very low46.5Very low193 Ų193137.1 Ų137.189%0.89475%0.749SS**  trans-86.8111.4176.6-114.4-59.7000110.6
519D34.3Very low49.2Very low148 Ų148129.2 Ų129.279%0.79171%0.71SS**  trans-72.6139.6169.1-123.6-15.8000110.7M521D519-M521 VanDerWaalsContact C-N 3.35Å; D519-M521 PolarHBondContact O-N 2.73Å
520N32.6Very low52Low171 Ų171125.5 Ų125.591%0.91468%0.681SS**  trans-71.579.6178.8-98.3-21.5000111
521M38.5Very low55.1Low167 Ų167122.8 Ų122.882%0.82366%0.661SS**  trans-89.9129.4162.5-72.9-167.579.300110.2D519 K523D519-M521 VanDerWaalsContact C-N 3.35Å; D519-M521 PolarHBondContact O-N 2.73Å; M521-K523 PolarHBondContact O-N 3.4Å
522T48.4Very low57.9Low143 Ų143123.4 Ų123.488%0.87765%0.645SS**  trans-52.4106.4174.3240000111Q524T522-Q524 PolarHBondContact O-N 2.67Å
523K65.8Low61Low160 Ų160114.5 Ų114.570%0.69660%0.603SS**PPolyproline II helixtrans-57.8130.3175.3-72.6-170171.1-154.10110.4D446 M521D446-K523 IonicContact OD1-NZ 3.74Å; D446-K523 PolarHBondContact OD1-NZ 3.37Å; M521-K523 PolarHBondContact O-N 3.4Å
524Q70.6Confident63.9Low122 Ų122108 Ų10857%0.5756%0.564SS**PPolyproline II helixtrans-59.9147.6173.9-92.7176.9-38.300111T522 Q526 L529T522-Q524 PolarHBondContact O-N 2.67Å; Q524-Q526 PolarHBondContact O-N 2.89Å; Q524-L529 HydrophobicContact CB-CD1 4.09Å; Q524-L529 HydrophobicContact CB-CD2 4.31Å; Q524-L529 HydrophobicContact CB-CG 4.12Å
525S83.6Confident66.9Low64 Ų64102.6 Ų102.645%0.44855%0.549SS..PPolyproline II helixtrans-61.1123.4176.51710000110.6T527 M528 L529S525-T527 PolarHBondContact O-N 2.92Å; S525-T527 PolarHBondContact OG-N 2.93Å; S525-M528 PolarHBondContact O-N 3.47Å; S525-L529 PolarHBondContact O-N 3.28Å
526Q84.9Confident70Confident59 Ų5999.4 Ų99.428%0.27652%0.523SS..Hα-helixtrans-55.6-36.8176.3-70.6-67-43.100111.9D446 Q524 L529 F530D446-Q526 PolarHBondContact O-NE2 3.36Å; Q524-Q526 PolarHBondContact O-N 2.89Å; Q526-L529 PolarHBondContact O-N 3.41Å; Q526-F530 WeakPolarHBondContact O-CB 3.39Å; Q526-F530 PolarHBondContact O-N 3.4Å
527T86.4Confident72.9Confident82 Ų8293.2 Ų93.250%0.50349%0.486SS..Hα-helixtrans-64.5-41.4175.5-53.80000112S525 F530 F531S525-T527 PolarHBondContact O-N 2.92Å; S525-T527 PolarHBondContact OG-N 2.93Å; T527-F530 PolarHBondContact O-N 3.33Å; T527-F531 HydrophobicContact CG2-CD2 4.09Å; T527-F531 HydrophobicContact CG2-CE2 3.55Å; T527-F531 HydrophobicContact CG2-CZ 4.11Å; T527-F531 VanDerWaalsContact O-CD2 3.29Å; T527-F531 WeakPolarHBondContact O-CD2 3.45Å; T527-F531 PolarHBondContact O-N 3.46Å; T527-F531 VanDerWaalsContact O-N 3.09Å
528M88.9Confident76Confident102 Ų10286.9 Ų86.950%0.50246%0.457SS..Hα-helixtrans-68.1-42.7177.4-71.7-58.2-59.700111.6S525 F530 F531 E532S525-M528 PolarHBondContact O-N 3.47Å; M528-F530 VanDerWaalsContact C-N 3.29Å; M528-F530 PolarHBondContact O-N 3.09Å; M528-F531 PolarHBondContact O-N 3.03Å; M528-F531 VanDerWaalsContact O-N 3.1Å; M528-F531 HydrophobicContact SD-CD2 4.36Å; M528-E532 WeakPolarHBondContact O-CG 3.47Å; M528-E532 PolarHBondContact O-N 3.24Å
529L89.6Confident78.7Confident12 Ų1279 Ų796%0.06343%0.429CS..Hα-helixtrans-59.2-40.8175.1-71.5172.8000111.9P448 Q524 S525 Q526 E532 M533P448-L529 HydrophobicContact CG-CB 3.8Å; Q524-L529 HydrophobicContact CB-CD1 4.09Å; Q524-L529 HydrophobicContact CB-CD2 4.31Å; Q524-L529 HydrophobicContact CB-CG 4.12Å; S525-L529 PolarHBondContact O-N 3.28Å; Q526-L529 PolarHBondContact O-N 3.41Å; L529-E532 PolarHBondContact O-N 3.4Å; L529-M533 WeakPolarHBondContact O-CG 3.43Å; L529-M533 PolarHBondContact O-N 2.85Å
530F90.7Very high81.5Confident24 Ų2472.6 Ų72.611%0.10540%0.395CS..Hα-helixtrans-59.9-46.5173166.6-105.5000111.8P448 M450 F466 S468 Q526 T527 M528 M533 C534P448-F530 HydrophobicContact CG-CB 4.12Å; M450-F530 HydrophobicContact CB-CD2 4.16Å; M450-F530 HydrophobicContact CB-CE2 4.06Å; F466-F530 HydrophobicContact CB-CZ 4.26Å; S468-F530 VanDerWaalsContact N-CE2 3.34Å; Q526-F530 WeakPolarHBondContact O-CB 3.39Å; Q526-F530 PolarHBondContact O-N 3.4Å; T527-F530 PolarHBondContact O-N 3.33Å; M528-F530 VanDerWaalsContact C-N 3.29Å; M528-F530 PolarHBondContact O-N 3.09Å; F530-M533 PolarHBondContact O-N 3.06Å; F530-C534 WeakPolarHBondContact CE2-SG 3.45Å; F530-C534 VanDerWaalsContact CZ-SG 3.52Å; F530-C534 PolarHBondContact O-N 3.18Å; F530-C534 PolarHBondContact O-SG 3.4Å
531F92.3Very high84.2Confident116 Ų11666.2 Ų66.251%0.50936%0.361SS..Hα-helixtrans-65-37.8177.4-69.2-41.9000113T527 M528 C534 A535T527-F531 HydrophobicContact CG2-CD2 4.09Å; T527-F531 HydrophobicContact CG2-CE2 3.55Å; T527-F531 HydrophobicContact CG2-CZ 4.11Å; T527-F531 VanDerWaalsContact O-CD2 3.29Å; T527-F531 WeakPolarHBondContact O-CD2 3.45Å; T527-F531 PolarHBondContact O-N 3.46Å; T527-F531 VanDerWaalsContact O-N 3.09Å; M528-F531 PolarHBondContact O-N 3.03Å; M528-F531 VanDerWaalsContact O-N 3.1Å; M528-F531 HydrophobicContact SD-CD2 4.36Å; F531-C534 PolarHBondContact O-N 2.9Å; F531-A535 VanDerWaalsContact O-CB 3.26Å; F531-A535 WeakPolarHBondContact O-CB 3.34Å; F531-A535 PolarHBondContact O-N 2.71Å
532E92Very high86.5Confident87 Ų8762.3 Ų62.341%0.40736%0.355SS..Hα-helixtrans-62.8-43.8174.8-73.7175-169.300111.7M528 L529 A535 A536M528-E532 WeakPolarHBondContact O-CG 3.47Å; M528-E532 PolarHBondContact O-N 3.24Å; L529-E532 PolarHBondContact O-N 3.4Å; E532-A535 PolarHBondContact O-N 2.96Å; E532-A536 WeakPolarHBondContact O-CB 3.48Å; E532-A536 PolarHBondContact O-N 3.37Å
533M93Very high87.8Confident7 Ų766.8 Ų66.83%0.03436%0.356CS..Hα-helixtrans-61.3-44.9174.9-72.6176.763.700111.8F427 P448 M450 L529 F530 L537F427-M533 HydrophobicContact CE2-CB 4.44Å; F427-M533 HydrophobicContact CE2-CE 4.5Å; F427-M533 HydrophobicContact CZ-CB 4.29Å; F427-M533 HydrophobicContact CZ-CG 4.18Å; P448-M533 HydrophobicContact CG-SD 4.2Å; P448-M533 VanDerWaalsContact O-SD 3.39Å; M450-M533 HydrophobicContact CE-CE 4.22Å; M450-M533 HydrophobicContact CG-CE 4.1Å; M450-M533 HydrophobicContact SD-CB 4.17Å; M450-M533 HydrophobicContact SD-CE 4.15Å; L529-M533 WeakPolarHBondContact O-CG 3.43Å; L529-M533 PolarHBondContact O-N 2.85Å; F530-M533 PolarHBondContact O-N 3.06Å; M533-L537 PolarHBondContact O-N 3.3Å
534C93.8Very high88.9Confident11 Ų1162.2 Ų62.27%0.07434%0.339CS..Hα-helixtrans-62.5-46.3176-66.30000111.4F466 F530 F531 A536 L537 I538F466-C534 HydrophobicContact CD1-CB 4.33Å; F530-C534 WeakPolarHBondContact CE2-SG 3.45Å; F530-C534 VanDerWaalsContact CZ-SG 3.52Å; F530-C534 PolarHBondContact O-N 3.18Å; F530-C534 PolarHBondContact O-SG 3.4Å; F531-C534 PolarHBondContact O-N 2.9Å; C534-A536 PolarHBondContact O-N 3.18Å; C534-L537 PolarHBondContact O-N 3.41Å; C534-I538 HydrophobicContact CB-CD1 4.37Å; C534-I538 WeakPolarHBondContact O-CB 3.24Å; C534-I538 VanDerWaalsContact O-CG1 3.22Å; C534-I538 WeakPolarHBondContact O-CG1 3.32Å; C534-I538 PolarHBondContact O-N 2.96Å
535A93.4Very high89.8Confident61 Ų6159 Ų5950%0.50433%0.327SS..Hα-helixtrans-63-39.7-178.800000112.3F531 E532 G539F531-A535 VanDerWaalsContact O-CB 3.26Å; F531-A535 WeakPolarHBondContact O-CB 3.34Å; F531-A535 PolarHBondContact O-N 2.71Å; E532-A535 PolarHBondContact O-N 2.96Å; A535-G539 PolarHBondContact O-N 2.8Å
536A93.6Very high90.2Very high38 Ų3858.7 Ų58.731%0.31432%0.32SS..Hα-helixtrans-62.5-43.617600000112.1L425 E532 C534 S540L425-A536 HydrophobicContact CD1-CB 4.16Å; L425-A536 WeakPolarHBondContact CD1-O 3.5Å; L425-A536 HydrophobicContact CD2-CB 4.42Å; E532-A536 WeakPolarHBondContact O-CB 3.48Å; E532-A536 PolarHBondContact O-N 3.37Å; C534-A536 PolarHBondContact O-N 3.18Å; A536-S540 WeakPolarHBondContact O-CB 3.45Å; A536-S540 PolarHBondContact O-N 3.34Å; A536-S540 PolarHBondContact O-OG 3.45Å
537L94.1Very high90.5Very high0 Ų058.7 Ų58.70%032%0.323CS..Hα-helixtrans-68.5-51.5177.9-179.352.9000111.4V421 L422 L425 M450 L452 F466 M533 C534 G539 S540 L541V421-L537 HydrophobicContact CB-CD1 4.08Å; V421-L537 HydrophobicContact CG1-CD1 3.49Å; V421-L537 VanDerWaalsContact CG1-CD1 3.49Å; L422-L537 HydrophobicContact CD2-CD1 4.15Å; L422-L537 HydrophobicContact CD2-CD2 3.97Å; L422-L537 HydrophobicContact CG-CD1 4.46Å; L425-L537 HydrophobicContact CD1-CB 4.27Å; L425-L537 HydrophobicContact CD1-CD1 4.45Å; M450-L537 HydrophobicContact CE-CD2 3.84Å; L452-L537 HydrophobicContact CD1-CD2 3.68Å; L452-L537 HydrophobicContact CD2-CD2 4.19Å; F466-L537 HydrophobicContact CE1-CD2 3.77Å; F466-L537 HydrophobicContact CE1-CG 4.17Å; M533-L537 PolarHBondContact O-N 3.3Å; C534-L537 PolarHBondContact O-N 3.41Å; L537-G539 PolarHBondContact O-N 3.43Å; L537-S540 PolarHBondContact O-N 3.02Å; L537-S540 VanDerWaalsContact O-N 3.12Å; L537-L541 HydrophobicContact CD1-CD1 3.76Å; L537-L541 HydrophobicContact CD1-CG 4.07Å; L537-L541 HydrophobicContact CG-CD1 3.87Å; L537-L541 WeakPolarHBondContact O-CG 3.2Å; L537-L541 PolarHBondContact O-N 2.86Å
538I93.6Very high90.8Very high57 Ų5757.3 Ų57.329%0.29231%0.312SS..Hα-helixtrans-59.5-47178.8-68.2167.9000110.9I405 F466 C534 S540 L541 A542I405-I538 HydrophobicContact CG2-CD1 4.23Å; I405-I538 HydrophobicContact CG2-CG1 3.93Å; I405-I538 HydrophobicContact CG2-CG2 4Å; F466-I538 HydrophobicContact CE1-CD1 4.47Å; F466-I538 HydrophobicContact CE1-CG1 4.09Å; F466-I538 HydrophobicContact CE2-CD1 4.15Å; F466-I538 HydrophobicContact CE2-CG1 4.14Å; F466-I538 HydrophobicContact CZ-CD1 4.04Å; F466-I538 HydrophobicContact CZ-CG1 3.6Å; C534-I538 HydrophobicContact CB-CD1 4.37Å; C534-I538 WeakPolarHBondContact O-CB 3.24Å; C534-I538 VanDerWaalsContact O-CG1 3.22Å; C534-I538 WeakPolarHBondContact O-CG1 3.32Å; C534-I538 PolarHBondContact O-N 2.96Å; I538-S540 PolarHBondContact O-N 3.36Å; I538-L541 PolarHBondContact O-N 3.04Å; I538-A542 WeakPolarHBondContact O-CB 3.36Å; I538-A542 PolarHBondContact O-N 3.19Å
539G92.6Very high90.9Very high29 Ų2954.3 Ų54.330%0.29930%0.299SS..Hα-helixtrans-65.2-19.7179.500000113.7A535 L537 R543A535-G539 PolarHBondContact O-N 2.8Å; L537-G539 PolarHBondContact O-N 3.43Å; G539-R543 WeakPolarHBondContact O-CG 3.4Å; G539-R543 PolarHBondContact O-NE 3.11Å; G539-R543 PolarHBondContact O-NH2 3Å
540S92.5Very high91Very high13 Ų1357.3 Ų57.39%0.09132%0.316CS..Hα-helixtrans-94-26.1175.4-57.70000113A536 L537 I538A536-S540 WeakPolarHBondContact O-CB 3.45Å; A536-S540 PolarHBondContact O-N 3.34Å; A536-S540 PolarHBondContact O-OG 3.45Å; L537-S540 PolarHBondContact O-N 3.02Å; L537-S540 VanDerWaalsContact O-N 3.12Å; I538-S540 PolarHBondContact O-N 3.36Å
541L91Very high91Very high36 Ų3659.8 Ų59.819%0.18833%0.332CS..Hα-helixtrans-79.7-25.7172.8-72.5169.8000113.4I405 E417 V418 V421 L464 L537 I538I405-L541 HydrophobicContact CD1-CB 4.22Å; I405-L541 HydrophobicContact CD1-CD1 3.62Å; E417-L541 HydrophobicContact CG-CD2 3.96Å; V418-L541 HydrophobicContact CG2-CD1 4.14Å; V418-L541 HydrophobicContact CG2-CD2 4.15Å; V421-L541 HydrophobicContact CB-CD2 4.23Å; V421-L541 HydrophobicContact CG1-CG 4.46Å; V421-L541 HydrophobicContact CG2-CD2 3.81Å; V421-L541 HydrophobicContact CG2-CG 4.31Å; L464-L541 HydrophobicContact CD2-CD1 4.15Å; L537-L541 HydrophobicContact CD1-CD1 3.76Å; L537-L541 HydrophobicContact CD1-CG 4.07Å; L537-L541 HydrophobicContact CG-CD1 3.87Å; L537-L541 WeakPolarHBondContact O-CG 3.2Å; L537-L541 PolarHBondContact O-N 2.86Å; I538-L541 PolarHBondContact O-N 3.04Å
542A85.5Confident90.9Very high86 Ų8655.2 Ų55.271%0.71132%0.317SS*.  trans-86.9-4.9178.700000113.9I538I538-A542 WeakPolarHBondContact O-CB 3.36Å; I538-A542 PolarHBondContact O-N 3.19Å
543R75.7Confident90.8Very high237 Ų23752.3 Ų52.389%0.89431%0.309SS*.  trans-92.80173.5-83.9-174.6-92.3-138.60.8109.5G539G539-R543 WeakPolarHBondContact O-CG 3.4Å; G539-R543 PolarHBondContact O-NE 3.11Å; G539-R543 PolarHBondContact O-NH2 3Å

Retrieved 543 of 543 residues in 222.9 ms (Link to these results)

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