A0A077Z7Y2_TRITR Loading...

acid phosphatase

AlphaFold DB , UniProt , Accession A0A077Z7Y2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 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
1M33.2Very low39.7Very low240 Ų240131.2 Ų131.2100%1.18268%0.677SS**  01040-56.2178.7-143.800105.6
2T35Very low41.7Very low135 Ų135124.3 Ų124.383%0.82864%0.64SS**  cis-144.9111.120.5-40.60000104.9M4T2-M4 PolarHBondContact O-N 3.39Å; T2-M4 VanDerWaalsContact O-N 3.15Å
3H30.8Very low44.7Very low182 Ų182115.1 Ų115.184%0.84359%0.593SS**  trans-75.1101.7171.8-82.9-70.6000107.1H5H3-H5 PolarHBondContact O-N 3.26Å; H3-H5 VanDerWaalsContact O-N 3.15Å
4M33.5Very low48.1Very low140 Ų140106.9 Ų106.969%0.6955%0.55SS**  trans-67106.4165.2-116.317571.100106.8T2 L6 P355T2-M4 PolarHBondContact O-N 3.39Å; T2-M4 VanDerWaalsContact O-N 3.15Å; M4-L6 PolarHBondContact O-N 3.19Å; M4-P355 HydrophobicContact CE-CB 4.5Å
5H34.5Very low51.3Low167 Ų16799.8 Ų99.877%0.77351%0.514SS*.  trans-55.5110.6164.3-80.7-63.9000108H3 T7H3-H5 PolarHBondContact O-N 3.26Å; H3-H5 VanDerWaalsContact O-N 3.15Å; H5-T7 PolarHBondContact O-N 3.04Å; H5-T7 VanDerWaalsContact O-N 3.14Å
6L36Very low54.2Low103 Ų10393.6 Ų93.654%0.53948%0.482SS..  trans-67.8102161.2-73.6162.2000105.6M4 E8M4-L6 PolarHBondContact O-N 3.19Å; L6-E8 PolarHBondContact O-N 3.42Å
7T38.2Very low56.8Low98 Ų9888.1 Ų88.160%0.60145%0.453SS*.  trans-70.8112.9176.743.90000109.3H5H5-T7 PolarHBondContact O-N 3.04Å; H5-T7 VanDerWaalsContact O-N 3.14Å
8E35.9Very low59.1Low174 Ų17483.2 Ų83.281%0.81343%0.428SS*.  trans26.190.8159.3-66.6-178.516600116.8L6 L10L6-E8 PolarHBondContact O-N 3.42Å; E8-L10 PolarHBondContact O-N 2.85Å
9D50.5Low61.2Low42 Ų4278.8 Ų78.823%0.22541%0.406CS..  trans-69.291.1172.7-72.3-2000110.3F71 W321D9-F71 VanDerWaalsContact CB-O 3.24Å; D9-F71 WeakPolarHBondContact CB-O 3.44Å; D9-F71 VanDerWaalsContact OD2-CA 3.28Å; D9-F71 WeakPolarHBondContact OD2-CA 3.35Å; D9-F71 WeakPolarHBondContact OD2-CB 3.03Å; D9-F71 WeakPolarHBondContact OD2-CD1 3.43Å; D9-F71 VanDerWaalsContact OD2-CG 3.26Å; D9-F71 WeakPolarHBondContact OD2-CG 3.18Å; D9-W321 HydrophobicContact CB-CZ3 4.43Å; D9-W321 VanDerWaalsContact CG-CZ3 3.48Å; D9-W321 WeakPolarHBondContact OD1-CZ3 3.31Å
10L52.6Low63.1Low78 Ų7875.3 Ų75.341%0.40839%0.387SS..  trans-60.6147.8179.2-72.4163.2000112E8 E12 S13E8-L10 PolarHBondContact O-N 2.85Å; L10-E12 PolarHBondContact O-N 2.92Å; L10-S13 PolarHBondContact O-N 3.44Å
11P56.7Low64.8Low84 Ų8471.8 Ų71.855%0.54537%0.369SS..THydrogen-bonded Turntrans-61.810177.723.9-33.9000115.6
12E63Low67.9Low49 Ų4960.3 Ų60.323%0.22931%0.313CS..THydrogen-bonded Turntrans-104.58-172.9-66.8-160.9-167.600113.8L10 L265 R322L10-E12 PolarHBondContact O-N 2.92Å; E12-L265 HydrophobicContact CB-CD1 3.81Å; E12-L265 HydrophobicContact CB-CD2 4.3Å; E12-L265 HydrophobicContact CG-CD1 4.38Å; E12-L265 HydrophobicContact CG-CD2 4.01Å; E12-L265 WeakPolarHBondContact O-CD1 3.36Å; E12-R322 IonicContact OE1-NH1 3.05Å; E12-R322 PolarHBondContact OE1-NH1 3.3Å; E12-R322 WeakPolarHBondContact OE2-CD 3.39Å; E12-R322 IonicContact OE2-CZ 3.21Å; E12-R322 IonicContact OE2-NE 3.48Å; E12-R322 PolarHBondContact OE2-NE 3.46Å; E12-R322 IonicContact OE2-NH1 2.64Å; E12-R322 PolarHBondContact OE2-NH1 3.26Å
13S81.6Confident70.9Confident4 Ų453.9 Ų53.93%0.02827%0.273CS..  trans-90.2164.3173.857.20000112.5L10 L73 L320L10-S13 PolarHBondContact O-N 3.44Å; S13-L73 WeakPolarHBondContact OG-CD1 3.48Å; S13-L320 WeakPolarHBondContact CA-O 3.3Å; S13-L320 WeakPolarHBondContact CB-O 3.45Å
14V92Very high74Confident0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-144126.2172.253.80000110.1K16 K261 K280 F282 L320V14-K16 PolarHBondContact O-NZ 3.04Å; V14-K261 HydrophobicContact CB-CB 4.37Å; V14-K261 HydrophobicContact CB-CD 4.22Å; V14-K261 HydrophobicContact CB-CG 3.88Å; V14-K261 HydrophobicContact CG1-CB 3.69Å; V14-K261 HydrophobicContact CG1-CD 4.39Å; V14-K261 HydrophobicContact CG1-CG 3.52Å; V14-K280 CarbonylContact C-O 3.5Å; V14-K280 WeakPolarHBondContact CA-O 3.34Å; V14-F282 HydrophobicContact CG2-CD2 3.7Å; V14-F282 HydrophobicContact CG2-CE2 3.69Å; V14-L320 HydrophobicContact CG1-CB 3.75Å; V14-L320 HydrophobicContact CG1-CD2 3.7Å; V14-L320 HydrophobicContact CG1-CG 4.36Å; V14-L320 PolarHBondContact N-O 2.81Å; V14-L320 PolarHBondContact O-N 2.95Å
15K96Very high77Confident1 Ų139.2 Ų39.20%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-102.3147.7-178.5-46.8-62.3179.3169.70109.7Y67 L73 K280 Y281 F282 E319 W321K15-Y67 HydrophobicContact CB-CE1 3.98Å; K15-Y67 HydrophobicContact CB-CE2 4.13Å; K15-Y67 HydrophobicContact CD-CE1 4.19Å; K15-Y67 HydrophobicContact CG-CD1 3.98Å; K15-Y67 HydrophobicContact CG-CE1 3.75Å; K15-L73 HydrophobicContact CB-CD2 4.45Å; K15-L73 HydrophobicContact CD-CD2 4.42Å; K15-L73 HydrophobicContact CG-CD2 3.44Å; K15-L73 VanDerWaalsContact CG-CD2 3.44Å; K15-K280 PolarHBondContact N-O 3.01Å; K15-Y281 HydrophobicContact CB-CD2 4Å; K15-Y281 WeakPolarHBondContact O-CA 3.3Å; K15-F282 PolarHBondContact O-N 2.75Å; K15-E319 HydrophobicContact CD-CB 3.66Å; K15-E319 HydrophobicContact CD-CG 3.67Å; K15-E319 IonicContact NZ-OE2 3.65Å; K15-E319 PolarHBondContact NZ-OE2 2.88Å; K15-W321 VanDerWaalsContact NZ-CH2 3.26Å
16K97.4Very high80Confident0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-130.6140.3170.9-6392.4-178.9146.40109V14 M258 F282 Y284 T317 F318V14-K16 PolarHBondContact O-NZ 3.04Å; K16-M258 HydrophobicContact CD-CG 4.16Å; K16-F282 CarbonylContact C-O 3.52Å; K16-F282 VanDerWaalsContact CA-O 3.23Å; K16-F282 WeakPolarHBondContact CA-O 3.46Å; K16-F282 HydrophobicContact CG-CB 3.9Å; K16-F282 HydrophobicContact CG-CD2 4.29Å; K16-F282 HydrophobicContact CG-CG 4.47Å; K16-Y284 HydrophobicContact CB-CE2 4.39Å; K16-Y284 HydrophobicContact CG-CE2 4.41Å; K16-T317 CarbonylContact O-C 3.59Å; K16-T317 WeakPolarHBondContact O-CA 3.49Å; K16-F318 HydrophobicContact CB-CB 4.32Å; K16-F318 HydrophobicContact CD-CB 4.47Å; K16-F318 PolarHBondContact N-O 3.49Å; K16-F318 PolarHBondContact O-N 2.89Å
17S98.4Very high82.8Confident0 Ų027.6 Ų27.60%015%0.149CC..EExtended strand (participates in β ladder)trans-125128.9173-71.10000109.7Y281 F282 Y284 L316S17-Y281 VanDerWaalsContact CB-OH 3.24Å; S17-Y281 WeakPolarHBondContact CB-OH 3.28Å; S17-Y281 WeakPolarHBondContact OG-CE2 3.43Å; S17-Y281 PolarHBondContact OG-OH 2.88Å; S17-Y281 VanDerWaalsContact OG-OH 3.09Å; S17-F282 PolarHBondContact N-O 2.84Å; S17-Y284 PolarHBondContact O-N 3.21Å; S17-L316 WeakPolarHBondContact CA-O 2.97Å
18V98.7Very high85.4Confident0 Ų025.5 Ų25.50%013%0.132CC..EExtended strand (participates in β ladder)trans-111113.2168.4-173.70000106.9L250 I254 Y284 N290 I291 L294 C315 L316 F318V18-L250 HydrophobicContact CG1-CD2 4.46Å; V18-I254 HydrophobicContact CG2-CD1 3.98Å; V18-Y284 WeakPolarHBondContact CA-O 3.44Å; V18-Y284 HydrophobicContact CG2-CD2 3.97Å; V18-Y284 HydrophobicContact CG2-CG 4.29Å; V18-N290 HydrophobicContact CG1-CB 4.1Å; V18-I291 HydrophobicContact CG1-CG1 4.39Å; V18-L294 HydrophobicContact CB-CD1 4.33Å; V18-L294 HydrophobicContact CG1-CD1 4.25Å; V18-L294 HydrophobicContact CG2-CD1 3.98Å; V18-C315 WeakPolarHBondContact O-CA 3.24Å; V18-L316 PolarHBondContact N-O 3.5Å; V18-L316 PolarHBondContact O-N 3.07Å; V18-F318 HydrophobicContact CG2-CE2 4.39Å
19F98.7Very high88.3Confident0 Ų019 Ų190%010%0.103CC..EExtended strand (participates in β ladder)trans-120.8146.4-179.858.4-114000112.8L59 N100 V283 Y284 S285 G286 S314 C315F19-L59 HydrophobicContact CB-CD2 4.04Å; F19-L59 HydrophobicContact CD1-CD2 4.26Å; F19-L59 HydrophobicContact CG-CD2 4.22Å; F19-N100 HydrophobicContact CE1-CB 4.34Å; F19-N100 HydrophobicContact CZ-CB 4.04Å; F19-V283 HydrophobicContact CD1-CG1 4.12Å; F19-V283 HydrophobicContact CE1-CG1 3.22Å; F19-V283 HydrophobicContact CZ-CG1 3.72Å; F19-Y284 PolarHBondContact N-O 3.39Å; F19-S285 WeakPolarHBondContact CE2-OG 2.89Å; F19-G286 CarbonylContact O-C 3.53Å; F19-G286 PolarHBondContact O-N 2.83Å; F19-S314 CarbonylContact C-O 3.49Å; F19-S314 WeakPolarHBondContact CA-O 3.48Å; F19-S314 VanDerWaalsContact CB-O 3.24Å; F19-S314 WeakPolarHBondContact CB-O 3.47Å; F19-C315 HydrophobicContact CB-CB 4.05Å
20R98.7Very high90.5Very high8 Ų817.2 Ų17.23%0.039%0.093CC..EExtended strand (participates in β ladder)trans-71.8143.6165.7-177.1179.7-171.8-1601108.5Q56 D288 I291 P310 G311 C313 S314R20-Q56 PolarHBondContact O-NE2 3.11Å; R20-D288 HydrophobicContact CG-CB 4.38Å; R20-D288 IonicContact CZ-OD2 3.1Å; R20-D288 IonicContact NE-OD2 3.64Å; R20-D288 PolarHBondContact NE-OD2 3.29Å; R20-D288 VanDerWaalsContact NE-OD2 3.11Å; R20-D288 IonicContact NH2-OD2 2.66Å; R20-D288 PolarHBondContact NH2-OD2 2.88Å; R20-I291 HydrophobicContact CB-CD1 4.18Å; R20-P310 WeakPolarHBondContact CD-O 3.27Å; R20-P310 PolarHBondContact NH1-O 3.31Å; R20-G311 VanDerWaalsContact CD-O 3.26Å; R20-G311 WeakPolarHBondContact CD-O 3.34Å; R20-G311 VanDerWaalsContact NH1-C 3.29Å; R20-C313 WeakPolarHBondContact O-CA 3.45Å; R20-S314 PolarHBondContact N-O 2.9Å
21H98.8Very high92.6Very high2 Ų217.5 Ų17.51%0.00910%0.1CC..  trans-49.8160.2167.761.275.6000112.8R24 L48 R92 T93 S96 G286 H287 F312 C313H21-R24 VanDerWaalsContact CE1-CD 3.47Å; H21-R24 WeakPolarHBondContact CE1-CD 3.37Å; H21-R24 PolarHBondContact CE1-NE 3.5Å; H21-L48 HydrophobicContact CB-CD1 4.42Å; H21-R92 HydrophobicContact CB-CG 4.47Å; H21-R92 PolarHBondContact NE2-NE 3.47Å; H21-T93 HydrophobicContact CB-CG2 4.09Å; H21-S96 VanDerWaalsContact CA-OG 3.28Å; H21-S96 WeakPolarHBondContact CA-OG 3.34Å; H21-S96 VanDerWaalsContact CB-OG 3.26Å; H21-S96 WeakPolarHBondContact CB-OG 3.43Å; H21-G286 PolarHBondContact N-O 3.17Å; H21-H287 AromaticContact CD2-ND1 3.75Å; H21-F312 AromaticContact CE1-CE1 3.82Å; H21-C313 PolarHBondContact O-N 3.23Å
22G98.4Very high94.4Very high0 Ų015.9 Ų15.90%09%0.09CC..  trans-68.9-178.417300000113.1L48 S96 F312G22-L48 WeakPolarHBondContact O-CD1 3.12Å; G22-S96 PolarHBondContact N-OG 2.87Å; G22-S96 VanDerWaalsContact N-OG 3.07Å; G22-F312 WeakPolarHBondContact O-CD1 3.24Å
23H97.7Very high96Very high0 Ų014.3 Ų14.30%08%0.083CC..  trans-51139175.5-173.6-95.2000112.6L48 T49 Q51 G52 E200 G201 W206 F312H23-L48 WeakPolarHBondContact O-CD1 3.38Å; H23-T49 VanDerWaalsContact C-OG1 3.26Å; H23-T49 WeakPolarHBondContact CB-OG1 3.35Å; H23-T49 PolarHBondContact ND1-OG1 3.26Å; H23-T49 PolarHBondContact O-N 2.9Å; H23-T49 PolarHBondContact O-OG1 2.73Å; H23-Q51 HydrophobicContact CB-CB 4.44Å; H23-Q51 HydrophobicContact CB-CG 4.01Å; H23-G52 VanDerWaalsContact N-CA 3.28Å; H23-G52 WeakPolarHBondContact O-CA 3.36Å; H23-E200 IonicContact CD2-OE1 2.98Å; H23-E200 PolarHBondContact CD2-OE1 3.1Å; H23-E200 IonicContact CD2-OE2 2.7Å; H23-E200 PolarHBondContact CD2-OE2 2.88Å; H23-E200 IonicContact NE2-OE1 2.67Å; H23-E200 IonicContact NE2-OE2 3.99Å; H23-G201 PolarHBondContact CE1-O 3.47Å; H23-G201 VanDerWaalsContact CE1-O 3.23Å; H23-G201 PolarHBondContact NE2-O 2.86Å; H23-W206 AromaticContact CE1-CH2 3.54Å; H23-W206 AromaticContact CE1-CZ2 3.83Å; H23-F312 HydrophobicContact CB-CD2 4.13Å; H23-F312 HydrophobicContact CB-CE2 4.49Å; H23-F312 HydrophobicContact CB-CG 4.32Å; H23-F312 AromaticContact CD2-CD2 3.61Å; H23-F312 AromaticContact CD2-CE2 3.37Å; H23-F312 WeakPolarHBondContact CD2-CE2 3.36Å
24R97.5Very high96.4Very high14 Ų1422.9 Ų22.95%0.05312%0.12CC..BIsolated β-bridgetrans-138.7162.6-174.558.4160.7173.9765111.1H21 E47 D193 I197 F312H21-R24 VanDerWaalsContact CE1-CD 3.47Å; H21-R24 WeakPolarHBondContact CE1-CD 3.37Å; H21-R24 PolarHBondContact CE1-NE 3.5Å; R24-E47 CarbonylContact C-O 3.52Å; R24-E47 WeakPolarHBondContact CA-O 3.05Å; R24-E47 WeakPolarHBondContact CB-O 3.18Å; R24-D193 IonicContact CZ-OD1 2.71Å; R24-D193 IonicContact CZ-OD2 2.64Å; R24-D193 IonicContact NH1-OD1 3.14Å; R24-D193 PolarHBondContact NH1-OD1 2.7Å; R24-D193 IonicContact NH1-OD2 2.75Å; R24-D193 PolarHBondContact NH1-OD2 2.87Å; R24-D193 IonicContact NH2-OD1 3.75Å; R24-D193 PolarHBondContact NH2-OD1 3.1Å; R24-D193 IonicContact NH2-OD2 3.49Å; R24-D193 PolarHBondContact NH2-OD2 2.73Å; R24-I197 VanDerWaalsContact NH1-CD1 3.33Å; R24-F312 HydrophobicContact CG-CE1 3.84Å; R24-F312 HydrophobicContact CG-CZ 4.15Å
25T96.7Very high96.4Very high0 Ų027.3 Ų27.30%014%0.144CC..  trans-66.5165.7163.157.10000111.1S27 W41 Y42 G44 G46 E47 T49 W206T25-S27 PolarHBondContact O-N 3.19Å; T25-W41 HydrophobicContact CG2-CB 4.38Å; T25-W41 HydrophobicContact CG2-CE3 4.04Å; T25-Y42 WeakPolarHBondContact CG2-O 3.24Å; T25-G44 VanDerWaalsContact CB-O 3.31Å; T25-G44 WeakPolarHBondContact CB-O 3.31Å; T25-G44 WeakPolarHBondContact CG2-O 3.42Å; T25-G44 PolarHBondContact OG1-O 3.25Å; T25-G46 PolarHBondContact OG1-N 3.31Å; T25-E47 PolarHBondContact N-O 3.07Å; T25-E47 PolarHBondContact OG1-N 3.44Å; T25-E47 VanDerWaalsContact OG1-N 3.09Å; T25-E47 PolarHBondContact OG1-O 3.38Å; T25-T49 HydrophobicContact CG2-CG2 4.34Å; T25-W206 HydrophobicContact CG2-CE3 4.4Å; T25-W206 HydrophobicContact CG2-CH2 4.23Å; T25-W206 HydrophobicContact CG2-CZ3 3.62Å
26P96.2Very high96.3Very high0 Ų027.5 Ų27.50%015%0.145CC..  trans-59.6139.4177.5-22.334.3000111.6Q28 L29 W41 L45 G46 P194 I197P26-Q28 VanDerWaalsContact C-N 3.28Å; P26-Q28 WeakPolarHBondContact CB-O 3.43Å; P26-L29 HydrophobicContact CB-CD2 4.33Å; P26-W41 VanDerWaalsContact CD-CE3 3.4Å; P26-W41 VanDerWaalsContact CD-CZ3 3.43Å; P26-W41 HydrophobicContact CG-CD2 4.17Å; P26-W41 HydrophobicContact CG-CE3 4.21Å; P26-W41 HydrophobicContact CG-CH2 3.58Å; P26-W41 HydrophobicContact CG-CZ2 3.54Å; P26-W41 HydrophobicContact CG-CZ3 3.93Å; P26-L45 CarbonylContact O-C 3.54Å; P26-L45 WeakPolarHBondContact O-CA 3.5Å; P26-L45 WeakPolarHBondContact O-CB 3.39Å; P26-G46 PolarHBondContact O-N 2.93Å; P26-P194 HydrophobicContact CB-CB 4.06Å; P26-P194 HydrophobicContact CG-CB 4.29Å; P26-I197 VanDerWaalsContact CA-CD1 3.48Å; P26-I197 HydrophobicContact CB-CD1 4.1Å; P26-I197 HydrophobicContact CG-CB 4.07Å; P26-I197 HydrophobicContact CG-CD1 4.02Å; P26-I197 HydrophobicContact CG-CG2 3.88Å
27S94.3Very high96Very high26 Ų2628.5 Ų28.518%0.18215%0.154CC..SBendtrans-77-19.9174.459.50000112.7T25T25-S27 PolarHBondContact O-N 3.19Å
28Q94.2Very high95.7Very high54 Ų5432.2 Ų32.225%0.25218%0.176SC..SBendtrans-152.1158.8176.767.2-166.1-20.400109.6P26P26-Q28 VanDerWaalsContact C-N 3.28Å; P26-Q28 WeakPolarHBondContact CB-O 3.43Å
29L95.8Very high95.3Very high37 Ų3739.7 Ų39.719%0.19421%0.211CC..  trans-107.1161.4-176.4-58.7177.8000111.5P26 P31 N36 V38 L45P26-L29 HydrophobicContact CB-CD2 4.33Å; L29-P31 WeakPolarHBondContact O-CD 3.39Å; L29-N36 WeakPolarHBondContact CD1-O 3.47Å; L29-N36 WeakPolarHBondContact CD2-O 3.32Å; L29-V38 HydrophobicContact CD1-CB 4.42Å; L29-V38 HydrophobicContact CD1-CG2 3.68Å; L29-L45 HydrophobicContact CD1-CD1 4.03Å; L29-L45 HydrophobicContact CD1-CD2 4.31Å; L29-L45 HydrophobicContact CD2-CD1 4.5Å; L29-L45 HydrophobicContact CD2-CD2 3.74Å; L29-L45 HydrophobicContact CG-CD1 3.97Å; L29-L45 HydrophobicContact CG-CD2 4.11Å
30I97.1Very high94.9Very high4 Ų442.3 Ų42.32%0.02123%0.227CC..  trans-80.2114.9167.7-59.4177.6000107S32 D33 T179 I191 P194 L195 M198 W216I30-S32 PolarHBondContact O-N 3.35Å; I30-S32 VanDerWaalsContact O-N 3.11Å; I30-D33 HydrophobicContact CB-CB 3.95Å; I30-D33 HydrophobicContact CG2-CB 4.26Å; I30-D33 WeakPolarHBondContact O-CB 3.04Å; I30-D33 PolarHBondContact O-N 3.19Å; I30-T179 HydrophobicContact CG2-CG2 3.95Å; I30-I191 HydrophobicContact CD1-CD1 4.43Å; I30-I191 HydrophobicContact CD1-CG2 4.12Å; I30-I191 HydrophobicContact CG1-CD1 3.97Å; I30-I191 HydrophobicContact CG2-CD1 4.27Å; I30-P194 HydrophobicContact CD1-CG 4.19Å; I30-P194 HydrophobicContact CG1-CB 4.38Å; I30-P194 HydrophobicContact CG1-CG 3.77Å; I30-L195 HydrophobicContact CD1-CD2 3.75Å; I30-L195 HydrophobicContact CD1-CG 3.99Å; I30-M198 HydrophobicContact CD1-CE 4.35Å; I30-W216 HydrophobicContact CD1-CZ2 4.33Å
31P95.7Very high94.6Very high85 Ų8542.3 Ų42.355%0.55223%0.227SC*.THydrogen-bonded Turntrans-56.9-32.1-170.4-30.236.5000115.8L29 T179 K181L29-P31 WeakPolarHBondContact O-CD 3.39Å; P31-T179 VanDerWaalsContact CD-O 3.25Å; P31-T179 WeakPolarHBondContact CD-O 3.19Å; P31-K181 HydrophobicContact CG-CB 4.26Å; P31-K181 HydrophobicContact CG-CD 4.28Å
32S95.9Very high94.2Very high49 Ų4948.6 Ų48.634%0.34325%0.252SS..THydrogen-bonded Turntrans-80.3-13178.261.60000114.5I30 K34 K178 T179I30-S32 PolarHBondContact O-N 3.35Å; I30-S32 VanDerWaalsContact O-N 3.11Å; S32-K34 PolarHBondContact O-N 3Å; S32-K178 VanDerWaalsContact CB-O 3.27Å; S32-K178 WeakPolarHBondContact CB-O 3.31Å; S32-K178 PolarHBondContact OG-O 2.86Å; S32-T179 PolarHBondContact N-O 2.98Å; S32-T179 VanDerWaalsContact N-O 3.07Å; S32-T179 VanDerWaalsContact OG-CA 3.24Å; S32-T179 WeakPolarHBondContact OG-CA 3.39Å; S32-T179 PolarHBondContact OG-O 3Å
33D95.5Very high93.9Very high16 Ų1651.4 Ų51.49%0.08627%0.27CS..  trans-85.292.5-176.1-175.2-1.2000111.2I30 N35 N36 P214I30-D33 HydrophobicContact CB-CB 3.95Å; I30-D33 HydrophobicContact CG2-CB 4.26Å; I30-D33 WeakPolarHBondContact O-CB 3.04Å; I30-D33 PolarHBondContact O-N 3.19Å; D33-N35 VanDerWaalsContact C-N 3.31Å; D33-N35 PolarHBondContact O-N 3.45Å; D33-N35 PolarHBondContact OD1-N 3.43Å; D33-N35 VanDerWaalsContact OD1-N 3.17Å; D33-N36 VanDerWaalsContact CG-ND2 3.35Å; D33-N36 PolarHBondContact OD1-N 3.21Å; D33-N36 PolarHBondContact OD1-ND2 3.04Å; D33-N36 WeakPolarHBondContact OD2-CB 3.37Å; D33-N36 PolarHBondContact OD2-ND2 3.15Å; D33-P214 HydrophobicContact CB-CG 4.23Å; D33-P214 WeakPolarHBondContact OD2-CG 3.49Å
34K91.7Very high93.8Very high185 Ų18552.3 Ų52.380%0.80428%0.279SS*.SBendtrans-75-18.4-178.2-62.6-178.3-178.5177.90113.7S32 N36S32-K34 PolarHBondContact O-N 3Å; K34-N36 VanDerWaalsContact C-N 3.32Å
35N91.6Very high93.7Very high93 Ų9353.4 Ų53.450%0.49729%0.286SS..THydrogen-bonded Turntrans-77-25.8179.8-66.4-26.7000111D33 P212D33-N35 VanDerWaalsContact C-N 3.31Å; D33-N35 PolarHBondContact O-N 3.45Å; D33-N35 PolarHBondContact OD1-N 3.43Å; D33-N35 VanDerWaalsContact OD1-N 3.17Å; N35-P212 HydrophobicContact CB-CG 4.02Å
36N93.1Very high93.7Very high4 Ų453.4 Ų53.42%0.02129%0.286CS..THydrogen-bonded Turntrans-108.646-176.9-68.5-74.1000113L29 D33 K34 W41 M198 H211 P212L29-N36 WeakPolarHBondContact CD1-O 3.47Å; L29-N36 WeakPolarHBondContact CD2-O 3.32Å; D33-N36 VanDerWaalsContact CG-ND2 3.35Å; D33-N36 PolarHBondContact OD1-N 3.21Å; D33-N36 PolarHBondContact OD1-ND2 3.04Å; D33-N36 WeakPolarHBondContact OD2-CB 3.37Å; D33-N36 PolarHBondContact OD2-ND2 3.15Å; K34-N36 VanDerWaalsContact C-N 3.32Å; N36-W41 HydrophobicContact CB-CZ2 4.17Å; N36-W41 PolarHBondContact O-NE1 3.14Å; N36-M198 HydrophobicContact CB-SD 4.48Å; N36-M198 VanDerWaalsContact CG-SD 3.57Å; N36-M198 PolarHBondContact ND2-SD 2.05Å; N36-H211 WeakPolarHBondContact OD1-CA 3.38Å; N36-H211 VanDerWaalsContact OD1-CB 3.25Å; N36-H211 WeakPolarHBondContact OD1-CB 3.19Å; N36-H211 PolarHBondContact OD1-ND1 3.03Å; N36-P212 PolarHBondContact ND2-O 3.32Å
37A91.6Very high93.8Very high22 Ų2255.3 Ų55.318%0.18230%0.295CS..  trans-67162.3-179.800000113.5E39 T40A37-E39 VanDerWaalsContact CB-CD 3.46Å; A37-E39 HydrophobicContact CB-CG 4.47Å; A37-E39 VanDerWaalsContact CB-OE1 3.29Å; A37-E39 WeakPolarHBondContact CB-OE1 3.47Å; A37-E39 WeakPolarHBondContact CB-OE2 3.45Å; A37-E39 PolarHBondContact O-N 2.84Å; A37-E39 VanDerWaalsContact O-N 3.11Å; A37-T40 HydrophobicContact CB-CG2 4.49Å; A37-T40 PolarHBondContact O-N 3.15Å; A37-T40 PolarHBondContact O-OG1 3.35Å
38V91.9Very high94Very high78 Ų7854.3 Ų54.347%0.47329%0.287SS..G310 helixtrans-53-40.2-174.2178.80000112.4L29 T40 W41 L45L29-V38 HydrophobicContact CD1-CB 4.42Å; L29-V38 HydrophobicContact CD1-CG2 3.68Å; V38-T40 VanDerWaalsContact C-N 3.3Å; V38-T40 PolarHBondContact O-N 3.15Å; V38-W41 PolarHBondContact O-N 3.06Å; V38-L45 HydrophobicContact CG1-CD1 4.18Å; V38-L45 HydrophobicContact CG1-CG 4.26Å; V38-L45 HydrophobicContact CG2-CD1 4.02Å
39E90.4Very high94.1Very high157 Ų15751.8 Ų51.873%0.73428%0.275SS*.G310 helixtrans-72.7-15.7-17863.5-85.5-162.800114.7A37A37-E39 VanDerWaalsContact CB-CD 3.46Å; A37-E39 HydrophobicContact CB-CG 4.47Å; A37-E39 VanDerWaalsContact CB-OE1 3.29Å; A37-E39 WeakPolarHBondContact CB-OE1 3.47Å; A37-E39 WeakPolarHBondContact CB-OE2 3.45Å; A37-E39 PolarHBondContact O-N 2.84Å; A37-E39 VanDerWaalsContact O-N 3.11Å
40T90.7Very high94.2Very high54 Ų5454 Ų5433%0.33128%0.283SS..G310 helixtrans-82.7-20.4178.167.30000111.9A37 V38 H211A37-T40 HydrophobicContact CB-CG2 4.49Å; A37-T40 PolarHBondContact O-N 3.15Å; A37-T40 PolarHBondContact O-OG1 3.35Å; V38-T40 VanDerWaalsContact C-N 3.3Å; V38-T40 PolarHBondContact O-N 3.15Å; T40-H211 PolarHBondContact O-CE1 3.13Å; T40-H211 PolarHBondContact O-NE2 3.01Å; T40-H211 PolarHBondContact OG1-CE1 3.05Å
41W92.1Very high94.1Very high9 Ų955.7 Ų55.73%0.03429%0.291CS..SBendtrans-85.6113.9-179.9-64.496.7000112.3T25 P26 N36 V38 G44 L45 I197 M198 W206 H211T25-W41 HydrophobicContact CG2-CB 4.38Å; T25-W41 HydrophobicContact CG2-CE3 4.04Å; P26-W41 VanDerWaalsContact CD-CE3 3.4Å; P26-W41 VanDerWaalsContact CD-CZ3 3.43Å; P26-W41 HydrophobicContact CG-CD2 4.17Å; P26-W41 HydrophobicContact CG-CE3 4.21Å; P26-W41 HydrophobicContact CG-CH2 3.58Å; P26-W41 HydrophobicContact CG-CZ2 3.54Å; P26-W41 HydrophobicContact CG-CZ3 3.93Å; N36-W41 HydrophobicContact CB-CZ2 4.17Å; N36-W41 PolarHBondContact O-NE1 3.14Å; V38-W41 PolarHBondContact O-N 3.06Å; W41-G44 WeakPolarHBondContact O-CA 3.43Å; W41-G44 PolarHBondContact O-N 2.91Å; W41-L45 HydrophobicContact CB-CD2 3.94Å; W41-L45 HydrophobicContact CG-CD2 3.72Å; W41-I197 HydrophobicContact CH2-CG2 4.15Å; W41-I197 HydrophobicContact CZ3-CG2 3.94Å; W41-M198 HydrophobicContact CH2-CG 3.95Å; W41-M198 HydrophobicContact CZ2-CG 4.16Å; W41-W206 HydrophobicContact CE3-CD2 4.4Å; W41-W206 HydrophobicContact CE3-CE3 4.29Å; W41-W206 HydrophobicContact CE3-CH2 4.42Å; W41-W206 HydrophobicContact CE3-CZ3 4.3Å; W41-W206 HydrophobicContact CZ3-CD2 4.1Å; W41-W206 AromaticContact CZ3-CE2 3.78Å; W41-W206 HydrophobicContact CZ3-CE3 4.33Å; W41-W206 AromaticContact CZ3-CH2 4Å; W41-W206 HydrophobicContact CZ3-CH2 4Å; W41-W206 AromaticContact CZ3-CZ2 3.76Å; W41-W206 HydrophobicContact CZ3-CZ2 3.76Å; W41-W206 HydrophobicContact CZ3-CZ3 4.28Å; W41-H211 AromaticContact CD2-CE1 3.57Å; W41-H211 AromaticContact CD2-ND1 3.95Å; W41-H211 AromaticContact CE2-CE1 3.63Å; W41-H211 AromaticContact CE2-ND1 3.57Å; W41-H211 AromaticContact CE3-CE1 3.75Å; W41-H211 HydrophobicContact CH2-CB 4.38Å; W41-H211 AromaticContact CH2-ND1 3.61Å; W41-H211 AromaticContact CZ2-CE1 3.92Å; W41-H211 AromaticContact CZ2-ND1 3.4Å; W41-H211 WeakPolarHBondContact CZ2-ND1 3.48Å; W41-H211 AromaticContact CZ3-ND1 3.94Å
42Y90.5Very high94.3Very high134 Ų13451.7 Ų51.753%0.52527%0.265SS..SBendtrans-99.1135.9166.9-177.9-91.6000110.2T25 D205T25-Y42 WeakPolarHBondContact CG2-O 3.24Å; Y42-D205 HydrophobicContact CD1-CB 4.49Å
43P92.4Very high94.4Very high58 Ų5852.8 Ų52.838%0.37727%0.266SS..SBendcis-88.714.73.135.4-34.8000114.8E47P43-E47 HydrophobicContact CG-CB 3.68Å
44G94.5Very high94.5Very high19 Ų1959.8 Ų59.820%0.19629%0.291CS..  trans134170.5-176.400000110.2T25 W41T25-G44 VanDerWaalsContact CB-O 3.31Å; T25-G44 WeakPolarHBondContact CB-O 3.31Å; T25-G44 WeakPolarHBondContact CG2-O 3.42Å; T25-G44 PolarHBondContact OG1-O 3.25Å; W41-G44 WeakPolarHBondContact O-CA 3.43Å; W41-G44 PolarHBondContact O-N 2.91Å
45L96.3Very high94.8Very high37 Ų3751.9 Ų51.919%0.19426%0.257CS..THydrogen-bonded Turntrans-70.5138.9-178.2-62.6-175000113P26 L29 V38 W41 E47P26-L45 CarbonylContact O-C 3.54Å; P26-L45 WeakPolarHBondContact O-CA 3.5Å; P26-L45 WeakPolarHBondContact O-CB 3.39Å; L29-L45 HydrophobicContact CD1-CD1 4.03Å; L29-L45 HydrophobicContact CD1-CD2 4.31Å; L29-L45 HydrophobicContact CD2-CD1 4.5Å; L29-L45 HydrophobicContact CD2-CD2 3.74Å; L29-L45 HydrophobicContact CG-CD1 3.97Å; L29-L45 HydrophobicContact CG-CD2 4.11Å; V38-L45 HydrophobicContact CG1-CD1 4.18Å; V38-L45 HydrophobicContact CG1-CG 4.26Å; V38-L45 HydrophobicContact CG2-CD1 4.02Å; W41-L45 HydrophobicContact CB-CD2 3.94Å; W41-L45 HydrophobicContact CG-CD2 3.72Å; L45-E47 PolarHBondContact O-N 3.43Å
46G96.7Very high95.1Very high0 Ų047.5 Ų47.50%023%0.233CC..THydrogen-bonded Turntrans6812.117800000114.9T25 P26 R92T25-G46 PolarHBondContact OG1-N 3.31Å; P26-G46 PolarHBondContact O-N 2.93Å; G46-R92 WeakPolarHBondContact O-CD 3.48Å; G46-R92 PolarHBondContact O-NH1 3.38Å
47E97.7Very high95.4Very high41 Ų4151.2 Ų51.219%0.19225%0.248CC..PPolyproline II helixtrans-94.7151.7-176.9-68.7-62.5163.700112.1R24 T25 P43 L45 N91R24-E47 CarbonylContact C-O 3.52Å; R24-E47 WeakPolarHBondContact CA-O 3.05Å; R24-E47 WeakPolarHBondContact CB-O 3.18Å; T25-E47 PolarHBondContact N-O 3.07Å; T25-E47 PolarHBondContact OG1-N 3.44Å; T25-E47 VanDerWaalsContact OG1-N 3.09Å; T25-E47 PolarHBondContact OG1-O 3.38Å; P43-E47 HydrophobicContact CG-CB 3.68Å; L45-E47 PolarHBondContact O-N 3.43Å; E47-N91 PolarHBondContact OE1-ND2 3.28Å; E47-N91 WeakPolarHBondContact OE2-CB 3.48Å
48L98.1Very high95.7Very high5 Ų553.6 Ų53.63%0.02626%0.255CS..BIsolated β-bridgetrans-71.1131.6180-16174.5000110.6H21 G22 H23 M53 R92 T95 S96H21-L48 HydrophobicContact CB-CD1 4.42Å; G22-L48 WeakPolarHBondContact O-CD1 3.12Å; H23-L48 WeakPolarHBondContact O-CD1 3.38Å; L48-M53 HydrophobicContact CD2-CG 3.78Å; L48-M53 HydrophobicContact CG-CG 4.41Å; L48-R92 HydrophobicContact CB-CB 4.14Å; L48-R92 HydrophobicContact CD1-CB 4.38Å; L48-T95 HydrophobicContact CD2-CG2 3.77Å; L48-S96 WeakPolarHBondContact CD1-OG 3.47Å
49T97.2Very high96Very high0 Ų049.9 Ų49.90%023%0.232CC..PPolyproline II helixtrans-80.6164.7175.657.80000111.8H23 T25 Q51 G52 M53 D205 W206H23-T49 VanDerWaalsContact C-OG1 3.26Å; H23-T49 WeakPolarHBondContact CB-OG1 3.35Å; H23-T49 PolarHBondContact ND1-OG1 3.26Å; H23-T49 PolarHBondContact O-N 2.9Å; H23-T49 PolarHBondContact O-OG1 2.73Å; T25-T49 HydrophobicContact CG2-CG2 4.34Å; T49-Q51 VanDerWaalsContact C-N 3.26Å; T49-Q51 PolarHBondContact O-N 3.02Å; T49-G52 WeakPolarHBondContact O-CA 3.26Å; T49-G52 PolarHBondContact O-N 2.93Å; T49-G52 PolarHBondContact OG1-N 3.48Å; T49-M53 WeakPolarHBondContact O-CG 3.28Å; T49-M53 PolarHBondContact O-N 3.49Å; T49-D205 VanDerWaalsContact CB-OD2 3.24Å; T49-D205 WeakPolarHBondContact CB-OD2 3.31Å; T49-W206 HydrophobicContact CG2-CH2 3.69Å; T49-W206 HydrophobicContact CG2-CZ3 3.4Å
50K97.3Very high96.3Very high84 Ų8442.4 Ų42.437%0.36520%0.198SC..Hα-helixtrans-60.6-38.3169.9-68.9168-171.5166.80111.5G52 M53 R54 E204 D205K50-G52 VanDerWaalsContact C-N 3.29Å; K50-G52 PolarHBondContact O-N 2.64Å; K50-M53 WeakPolarHBondContact O-CB 3.14Å; K50-M53 PolarHBondContact O-N 3.05Å; K50-R54 PolarHBondContact O-N 2.88Å; K50-E204 HydrophobicContact CB-CB 3.97Å; K50-E204 HydrophobicContact CD-CB 3.7Å; K50-E204 PolarHBondContact NZ-O 3.48Å; K50-D205 WeakPolarHBondContact CG-OD1 3.25Å; K50-D205 PolarHBondContact N-OD1 3.27Å; K50-D205 PolarHBondContact N-OD2 3.34Å
51Q96.2Very high96.6Very high40 Ų4043.6 Ų43.619%0.18720%0.198CC..Hα-helixtrans-54.4-47.2169.4173.8166.4-40.100110.9H23 T49 M53 R54 Q55 E200 S202H23-Q51 HydrophobicContact CB-CB 4.44Å; H23-Q51 HydrophobicContact CB-CG 4.01Å; T49-Q51 VanDerWaalsContact C-N 3.26Å; T49-Q51 PolarHBondContact O-N 3.02Å; Q51-M53 PolarHBondContact O-N 3.26Å; Q51-R54 PolarHBondContact O-N 3.32Å; Q51-Q55 HydrophobicContact CG-CG 4.43Å; Q51-Q55 WeakPolarHBondContact O-CG 3.21Å; Q51-Q55 PolarHBondContact O-N 3.47Å; Q51-E200 PolarHBondContact NE2-OE1 2.71Å; Q51-S202 WeakPolarHBondContact CB-OG 3.32Å
52G98.1Very high96.9Very high0 Ų045.2 Ų45.20%021%0.207CC..Hα-helixtrans-62.5-38.8177.100000114.1H23 T49 K50 Q55 Q56H23-G52 VanDerWaalsContact N-CA 3.28Å; H23-G52 WeakPolarHBondContact O-CA 3.36Å; T49-G52 WeakPolarHBondContact O-CA 3.26Å; T49-G52 PolarHBondContact O-N 2.93Å; T49-G52 PolarHBondContact OG1-N 3.48Å; K50-G52 VanDerWaalsContact C-N 3.29Å; K50-G52 PolarHBondContact O-N 2.64Å; G52-Q55 PolarHBondContact O-N 3.25Å; G52-Q56 PolarHBondContact O-N 3.33Å; G52-Q56 VanDerWaalsContact O-N 3.13Å
53M98.3Very high97.2Very high73 Ų7338.9 Ų38.936%0.3618%0.182SC..Hα-helixtrans-61.5-48173-64173.2-165.600110.9L48 T49 K50 Q51 Q55 Q56 Y57 T95 S99L48-M53 HydrophobicContact CD2-CG 3.78Å; L48-M53 HydrophobicContact CG-CG 4.41Å; T49-M53 WeakPolarHBondContact O-CG 3.28Å; T49-M53 PolarHBondContact O-N 3.49Å; K50-M53 WeakPolarHBondContact O-CB 3.14Å; K50-M53 PolarHBondContact O-N 3.05Å; Q51-M53 PolarHBondContact O-N 3.26Å; M53-Q55 PolarHBondContact O-N 3.02Å; M53-Q56 PolarHBondContact O-N 2.84Å; M53-Y57 WeakPolarHBondContact O-CB 3.34Å; M53-Y57 PolarHBondContact O-N 3.14Å; M53-T95 HydrophobicContact CE-CG2 4.04Å; M53-T95 HydrophobicContact CG-CG2 4.33Å; M53-S99 WeakPolarHBondContact O-CB 3.18Å
54R97.7Very high97.3Very high162 Ų16236.4 Ų36.461%0.61117%0.167SC*.Hα-helixtrans-60.4-45.3177.1-180179.6175.4-172.3-2.6112.2K50 Q51 Q56 Y57 E58K50-R54 PolarHBondContact O-N 2.88Å; Q51-R54 PolarHBondContact O-N 3.32Å; R54-Q56 VanDerWaalsContact C-N 3.29Å; R54-Q56 PolarHBondContact O-N 3.3Å; R54-Y57 WeakPolarHBondContact O-CB 3.42Å; R54-Y57 PolarHBondContact O-N 3.39Å; R54-E58 PolarHBondContact O-N 3.44Å
55Q98.1Very high97.4Very high20 Ų2039.5 Ų39.59%0.09318%0.179CC..Hα-helixtrans-56.4-45.1177.6-71.6171.8-10.500111.3Q51 G52 M53 E58 L59 C313 P338Q51-Q55 HydrophobicContact CG-CG 4.43Å; Q51-Q55 WeakPolarHBondContact O-CG 3.21Å; Q51-Q55 PolarHBondContact O-N 3.47Å; G52-Q55 PolarHBondContact O-N 3.25Å; M53-Q55 PolarHBondContact O-N 3.02Å; Q55-E58 PolarHBondContact O-N 3.11Å; Q55-L59 PolarHBondContact O-N 2.74Å; Q55-C313 VanDerWaalsContact C-SG 3.6Å; Q55-C313 HydrophobicContact CB-CB 4.05Å; Q55-C313 PolarHBondContact O-SG 2.92Å; Q55-P338 HydrophobicContact CB-CB 4.36Å; Q55-P338 HydrophobicContact CG-CB 3.77Å; Q55-P338 HydrophobicContact CG-CG 4.38Å
56Q98.7Very high97.3Very high0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-70.1-38.3178.6-75.7-69.1-8.700113R20 G52 M53 R54 E58 L59 G60 N100R20-Q56 PolarHBondContact O-NE2 3.11Å; G52-Q56 PolarHBondContact O-N 3.33Å; G52-Q56 VanDerWaalsContact O-N 3.13Å; M53-Q56 PolarHBondContact O-N 2.84Å; R54-Q56 VanDerWaalsContact C-N 3.29Å; R54-Q56 PolarHBondContact O-N 3.3Å; Q56-E58 PolarHBondContact O-N 2.78Å; Q56-L59 PolarHBondContact O-N 3.5Å; Q56-G60 PolarHBondContact O-N 2.76Å; Q56-N100 HydrophobicContact CB-CB 4.42Å; Q56-N100 VanDerWaalsContact O-CA 3.32Å; Q56-N100 WeakPolarHBondContact O-CA 3.44Å; Q56-N100 PolarHBondContact OE1-ND2 3.36Å; Q56-N100 VanDerWaalsContact OE1-ND2 3.1Å
57Y98Very high97.1Very high83 Ų8339 Ų3933%0.32518%0.176SC..Hα-helixtrans-57.7-47172.6177.5-95.1000111.8M53 R54 G60 K61 S99 A102 G103M53-Y57 WeakPolarHBondContact O-CB 3.34Å; M53-Y57 PolarHBondContact O-N 3.14Å; R54-Y57 WeakPolarHBondContact O-CB 3.42Å; R54-Y57 PolarHBondContact O-N 3.39Å; Y57-G60 PolarHBondContact O-N 3.17Å; Y57-K61 HydrophobicContact CD1-CD 4Å; Y57-K61 HydrophobicContact CE1-CD 3.38Å; Y57-K61 HydrophobicContact CE1-CG 4.28Å; Y57-K61 PolarHBondContact O-N 2.98Å; Y57-S99 WeakPolarHBondContact CA-O 3.45Å; Y57-A102 HydrophobicContact CD2-CB 4.15Å; Y57-A102 HydrophobicContact CE2-CB 4.43Å; Y57-G103 VanDerWaalsContact CD2-CA 3.41Å; Y57-G103 VanDerWaalsContact CD2-N 3.29Å; Y57-G103 VanDerWaalsContact CE2-CA 3.43Å; Y57-G103 WeakPolarHBondContact O-CA 3.39Å
58E98Very high96.9Very high71 Ų7137.5 Ų37.533%0.33217%0.169SC..Hα-helixtrans-67.1-37177-65-56.2154.800112.4R54 Q55 Q56 G60 K61 L62R54-E58 PolarHBondContact O-N 3.44Å; Q55-E58 PolarHBondContact O-N 3.11Å; Q56-E58 PolarHBondContact O-N 2.78Å; E58-G60 VanDerWaalsContact C-N 3.3Å; E58-G60 PolarHBondContact O-N 3.03Å; E58-K61 PolarHBondContact O-N 3.24Å; E58-K61 IonicContact OE1-NZ 3.71Å; E58-K61 IonicContact OE2-NZ 3.02Å; E58-K61 PolarHBondContact OE2-NZ 3.44Å; E58-L62 WeakPolarHBondContact O-CG 3.43Å; E58-L62 PolarHBondContact O-N 3.41Å
59L98.6Very high96.6Very high0 Ų041.8 Ų41.80%019%0.192CC..Hα-helixtrans-60.4-41.5170.917560.8000111.6F19 Q55 Q56 K61 L62 L63 C313 C315 F343F19-L59 HydrophobicContact CB-CD2 4.04Å; F19-L59 HydrophobicContact CD1-CD2 4.26Å; F19-L59 HydrophobicContact CG-CD2 4.22Å; Q55-L59 PolarHBondContact O-N 2.74Å; Q56-L59 PolarHBondContact O-N 3.5Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.95Å; L59-L62 PolarHBondContact O-N 3.31Å; L59-L63 HydrophobicContact CD1-CD1 3.85Å; L59-L63 HydrophobicContact CD1-CG 4.04Å; L59-L63 HydrophobicContact CD2-CD1 4.43Å; L59-L63 HydrophobicContact CG-CD1 3.74Å; L59-L63 HydrophobicContact CG-CG 4.41Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 WeakPolarHBondContact O-CD1 3.11Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.38Å; L59-L63 PolarHBondContact O-N 2.77Å; L59-C313 WeakPolarHBondContact CB-SG 3.41Å; L59-C313 VanDerWaalsContact CD2-SG 3.53Å; L59-C315 HydrophobicContact CD1-CB 4.05Å; L59-C315 HydrophobicContact CD2-CB 3.99Å; L59-F343 HydrophobicContact CD1-CZ 4.04Å
60G97.9Very high96.3Very high0 Ų048.4 Ų48.40%022%0.217CC..Hα-helixtrans-56.2-47.1173.900000112.3Q56 Y57 E58 L63 A64 N100 F104Q56-G60 PolarHBondContact O-N 2.76Å; Y57-G60 PolarHBondContact O-N 3.17Å; E58-G60 VanDerWaalsContact C-N 3.3Å; E58-G60 PolarHBondContact O-N 3.03Å; G60-L63 PolarHBondContact O-N 3.42Å; G60-A64 PolarHBondContact O-N 3.35Å; G60-N100 VanDerWaalsContact CA-O 3.29Å; G60-N100 WeakPolarHBondContact CA-O 3.35Å; G60-F104 WeakPolarHBondContact O-CA 3.06Å; G60-F104 WeakPolarHBondContact O-CD2 2.99Å
61K96.9Very high96Very high80 Ų8044.9 Ų44.935%0.34820%0.201SC..Hα-helixtrans-62.7-42.2175.7-73.5173.758.9-159.10112.8Y57 E58 L59 L63 A64 N65 G103Y57-K61 HydrophobicContact CD1-CD 4Å; Y57-K61 HydrophobicContact CE1-CD 3.38Å; Y57-K61 HydrophobicContact CE1-CG 4.28Å; Y57-K61 PolarHBondContact O-N 2.98Å; E58-K61 PolarHBondContact O-N 3.24Å; E58-K61 IonicContact OE1-NZ 3.71Å; E58-K61 IonicContact OE2-NZ 3.02Å; E58-K61 PolarHBondContact OE2-NZ 3.44Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 2.95Å; K61-L63 VanDerWaalsContact C-N 3.34Å; K61-L63 PolarHBondContact O-N 3.37Å; K61-A64 PolarHBondContact O-N 3.1Å; K61-N65 WeakPolarHBondContact O-CB 3.49Å; K61-N65 PolarHBondContact O-N 3.24Å; K61-G103 WeakPolarHBondContact CG-O 3.43Å
62L97.3Very high95.8Very high43 Ų4350.6 Ų50.623%0.22523%0.228CC..Hα-helixtrans-61.7-42.5176.5-72172000111.7E58 L59 N65 Q66 T341E58-L62 WeakPolarHBondContact O-CG 3.43Å; E58-L62 PolarHBondContact O-N 3.41Å; L59-L62 PolarHBondContact O-N 3.31Å; L62-N65 PolarHBondContact O-N 3.33Å; L62-Q66 WeakPolarHBondContact O-CB 3.29Å; L62-Q66 PolarHBondContact O-N 3.37Å; L62-T341 HydrophobicContact CD2-CG2 4.32Å
63L97.2Very high95.5Very high0 Ų050.8 Ų50.80%023%0.229CC..Hα-helixtrans-68.4-37.5177.5-70.1160.1000111.9L59 G60 K61 Q66 Y67 F104 Y281 F343L59-L63 HydrophobicContact CD1-CD1 3.85Å; L59-L63 HydrophobicContact CD1-CG 4.04Å; L59-L63 HydrophobicContact CD2-CD1 4.43Å; L59-L63 HydrophobicContact CG-CD1 3.74Å; L59-L63 HydrophobicContact CG-CG 4.41Å; L59-L63 WeakPolarHBondContact O-CB 3.48Å; L59-L63 WeakPolarHBondContact O-CD1 3.11Å; L59-L63 VanDerWaalsContact O-CG 3.3Å; L59-L63 WeakPolarHBondContact O-CG 3.38Å; L59-L63 PolarHBondContact O-N 2.77Å; G60-L63 PolarHBondContact O-N 3.42Å; K61-L63 VanDerWaalsContact C-N 3.34Å; K61-L63 PolarHBondContact O-N 3.37Å; L63-Q66 PolarHBondContact O-N 3.36Å; L63-Y67 HydrophobicContact CB-CD2 4.48Å; L63-Y67 HydrophobicContact CB-CE2 4.45Å; L63-Y67 HydrophobicContact CD2-CE2 3.73Å; L63-Y67 WeakPolarHBondContact O-CB 3.36Å; L63-Y67 WeakPolarHBondContact O-CD2 3.29Å; L63-Y67 PolarHBondContact O-N 3.06Å; L63-F104 HydrophobicContact CB-CD2 3.84Å; L63-F104 HydrophobicContact CB-CE2 3.93Å; L63-Y281 WeakPolarHBondContact CD1-OH 3.37Å; L63-F343 HydrophobicContact CD2-CE1 4.34Å; L63-F343 HydrophobicContact CD2-CE2 4.49Å; L63-F343 HydrophobicContact CD2-CZ 3.75Å; L63-F343 HydrophobicContact CG-CZ 4.34Å
64A95.5Very high95.1Very high6 Ų647.5 Ų47.55%0.0521%0.213CC..Hα-helixtrans-64-46.217300000111G60 K61 Q66 Y67 M68 D69 F104G60-A64 PolarHBondContact O-N 3.35Å; K61-A64 PolarHBondContact O-N 3.1Å; A64-Q66 VanDerWaalsContact C-N 3.31Å; A64-Q66 PolarHBondContact O-N 3.33Å; A64-Y67 PolarHBondContact O-N 2.83Å; A64-M68 HydrophobicContact CB-CE 4.49Å; A64-M68 HydrophobicContact CB-SD 4.18Å; A64-M68 WeakPolarHBondContact O-CA 3.48Å; A64-M68 WeakPolarHBondContact O-CB 3.43Å; A64-M68 PolarHBondContact O-N 3.36Å; A64-D69 PolarHBondContact O-N 2.61Å; A64-F104 HydrophobicContact CB-CD2 3.87Å; A64-F104 HydrophobicContact CB-CE2 4.26Å; A64-F104 HydrophobicContact CB-CG 4.24Å; A64-F104 WeakPolarHBondContact CB-O 3.3Å
65N95.1Very high94.7Very high84 Ų8443.7 Ų43.745%0.44920%0.204SC..Iπ-helixtrans-59.8-43.4175.6-178.8-106.6000112K61 L62 D69 R70K61-N65 WeakPolarHBondContact O-CB 3.49Å; K61-N65 PolarHBondContact O-N 3.24Å; L62-N65 PolarHBondContact O-N 3.33Å; N65-D69 WeakPolarHBondContact CA-OD2 3.29Å; N65-D69 PolarHBondContact ND2-OD2 3.45Å; N65-D69 WeakPolarHBondContact O-CB 3.35Å; N65-D69 PolarHBondContact O-N 2.95Å; N65-D69 VanDerWaalsContact O-N 3.17Å; N65-R70 PolarHBondContact O-N 3.24Å
66Q94.1Very high94.1Very high27 Ų2744 Ų4413%0.12621%0.208CC..Iπ-helixtrans-63.7-49.6178.1-176.172.6300112.1L62 L63 A64 R70 F71L62-Q66 WeakPolarHBondContact O-CB 3.29Å; L62-Q66 PolarHBondContact O-N 3.37Å; L63-Q66 PolarHBondContact O-N 3.36Å; A64-Q66 VanDerWaalsContact C-N 3.31Å; A64-Q66 PolarHBondContact O-N 3.33Å; Q66-R70 VanDerWaalsContact OE1-NH1 3.1Å; Q66-F71 HydrophobicContact CG-CD2 4.26Å; Q66-F71 HydrophobicContact CG-CE2 3.95Å; Q66-F71 HydrophobicContact CG-CZ 4.4Å; Q66-F71 WeakPolarHBondContact O-CB 3.25Å; Q66-F71 WeakPolarHBondContact O-CD2 3.3Å; Q66-F71 VanDerWaalsContact O-CG 3.25Å; Q66-F71 WeakPolarHBondContact O-CG 3.47Å; Q66-F71 PolarHBondContact O-N 2.86Å; Q66-F71 VanDerWaalsContact O-N 3.07Å
67Y94.1Very high93.5Very high1 Ų146.2 Ų46.20%0.00422%0.22CC..Iπ-helixtrans-92.1-24.9-170.4-59.4-32.7000114.3K15 L63 A64 F71 L73 F104 Y281 T317K15-Y67 HydrophobicContact CB-CE1 3.98Å; K15-Y67 HydrophobicContact CB-CE2 4.13Å; K15-Y67 HydrophobicContact CD-CE1 4.19Å; K15-Y67 HydrophobicContact CG-CD1 3.98Å; K15-Y67 HydrophobicContact CG-CE1 3.75Å; L63-Y67 HydrophobicContact CB-CD2 4.48Å; L63-Y67 HydrophobicContact CB-CE2 4.45Å; L63-Y67 HydrophobicContact CD2-CE2 3.73Å; L63-Y67 WeakPolarHBondContact O-CB 3.36Å; L63-Y67 WeakPolarHBondContact O-CD2 3.29Å; L63-Y67 PolarHBondContact O-N 3.06Å; A64-Y67 PolarHBondContact O-N 2.83Å; Y67-F71 AromaticContact CD1-CD2 3.83Å; Y67-F71 HydrophobicContact CD1-CD2 3.83Å; Y67-F71 HydrophobicContact CD1-CE2 4.26Å; Y67-F71 HydrophobicContact CE1-CD2 4.32Å; Y67-F71 HydrophobicContact CE1-CE2 4.31Å; Y67-L73 WeakPolarHBondContact O-CA 3.5Å; Y67-L73 WeakPolarHBondContact O-CB 3.39Å; Y67-L73 PolarHBondContact O-N 2.83Å; Y67-F104 HydrophobicContact CD2-CE2 4.23Å; Y67-Y281 HydrophobicContact CD2-CD1 4.42Å; Y67-Y281 HydrophobicContact CD2-CD2 4.22Å; Y67-Y281 HydrophobicContact CD2-CE1 4.32Å; Y67-Y281 HydrophobicContact CD2-CE2 4.15Å; Y67-Y281 HydrophobicContact CD2-CG 4.37Å; Y67-Y281 AromaticContact CE2-CD2 3.86Å; Y67-Y281 HydrophobicContact CE2-CD2 3.86Å; Y67-Y281 HydrophobicContact CE2-CE1 4.32Å; Y67-Y281 AromaticContact CE2-CE2 3.48Å; Y67-Y281 HydrophobicContact CE2-CE2 3.48Å; Y67-Y281 VanDerWaalsContact CE2-CE2 3.48Å; Y67-Y281 HydrophobicContact CE2-CG 4.44Å; Y67-Y281 AromaticContact CE2-CZ 3.72Å; Y67-T317 WeakPolarHBondContact OH-CG2 3.32Å
68M92.3Very high93Very high9 Ų946 Ų464%0.04422%0.224CC..Iπ-helixtrans-99.9-46.6178.5-57.7178.3-174.800112A64 E72 M74 P76 A79 F104A64-M68 HydrophobicContact CB-CE 4.49Å; A64-M68 HydrophobicContact CB-SD 4.18Å; A64-M68 WeakPolarHBondContact O-CA 3.48Å; A64-M68 WeakPolarHBondContact O-CB 3.43Å; A64-M68 PolarHBondContact O-N 3.36Å; M68-E72 VanDerWaalsContact O-CA 3.31Å; M68-E72 WeakPolarHBondContact O-CA 3.34Å; M68-E72 PolarHBondContact O-N 3.14Å; M68-M74 WeakPolarHBondContact CA-O 3Å; M68-M74 WeakPolarHBondContact CB-O 3.39Å; M68-M74 HydrophobicContact CE-CG 4.18Å; M68-M74 HydrophobicContact CE-SD 4.27Å; M68-M74 HydrophobicContact CG-CG 3.79Å; M68-M74 WeakPolarHBondContact CG-O 3.34Å; M68-P76 HydrophobicContact SD-CB 4.03Å; M68-P76 HydrophobicContact SD-CG 3.66Å; M68-A79 HydrophobicContact CE-CB 3.58Å; M68-F104 HydrophobicContact CE-CD1 3.62Å; M68-F104 HydrophobicContact CE-CE1 3.13Å; M68-F104 HydrophobicContact CE-CE2 4.3Å; M68-F104 HydrophobicContact CE-CG 4.4Å; M68-F104 HydrophobicContact CE-CZ 3.52Å
69D91.8Very high92.6Very high94 Ų9442.6 Ų42.650%0.50321%0.209SC..Iπ-helixtrans-88.2-43.3-172-51.8-25.8000111.9A64 N65A64-D69 PolarHBondContact O-N 2.61Å; N65-D69 WeakPolarHBondContact CA-OD2 3.29Å; N65-D69 PolarHBondContact ND2-OD2 3.45Å; N65-D69 WeakPolarHBondContact O-CB 3.35Å; N65-D69 PolarHBondContact O-N 2.95Å; N65-D69 VanDerWaalsContact O-N 3.17Å
70R91.8Very high92.1Very high139 Ų13945 Ų4553%0.52522%0.219SC..Iπ-helixtrans-86.8-45.2-174.7-177.3-175.2174.8-172.51.1113.2N65 Q66N65-R70 PolarHBondContact O-N 3.24Å; Q66-R70 VanDerWaalsContact OE1-NH1 3.1Å
71F90.8Very high91.6Very high10 Ų1052.4 Ų52.44%0.04425%0.248CC..SBendtrans-95.3-9.4-178.5-66.4-16000113.2D9 Q66 Y67 L73 W321D9-F71 VanDerWaalsContact CB-O 3.24Å; D9-F71 WeakPolarHBondContact CB-O 3.44Å; D9-F71 VanDerWaalsContact OD2-CA 3.28Å; D9-F71 WeakPolarHBondContact OD2-CA 3.35Å; D9-F71 WeakPolarHBondContact OD2-CB 3.03Å; D9-F71 WeakPolarHBondContact OD2-CD1 3.43Å; D9-F71 VanDerWaalsContact OD2-CG 3.26Å; D9-F71 WeakPolarHBondContact OD2-CG 3.18Å; Q66-F71 HydrophobicContact CG-CD2 4.26Å; Q66-F71 HydrophobicContact CG-CE2 3.95Å; Q66-F71 HydrophobicContact CG-CZ 4.4Å; Q66-F71 WeakPolarHBondContact O-CB 3.25Å; Q66-F71 WeakPolarHBondContact O-CD2 3.3Å; Q66-F71 VanDerWaalsContact O-CG 3.25Å; Q66-F71 WeakPolarHBondContact O-CG 3.47Å; Q66-F71 PolarHBondContact O-N 2.86Å; Q66-F71 VanDerWaalsContact O-N 3.07Å; Y67-F71 AromaticContact CD1-CD2 3.83Å; Y67-F71 HydrophobicContact CD1-CD2 3.83Å; Y67-F71 HydrophobicContact CD1-CE2 4.26Å; Y67-F71 HydrophobicContact CE1-CD2 4.32Å; Y67-F71 HydrophobicContact CE1-CE2 4.31Å; F71-L73 HydrophobicContact CB-CB 4.49Å; F71-L73 PolarHBondContact O-N 2.81Å; F71-W321 HydrophobicContact CD1-CH2 4.2Å; F71-W321 HydrophobicContact CD2-CH2 4Å; F71-W321 HydrophobicContact CD2-CZ2 4.43Å; F71-W321 AromaticContact CE1-CH2 3.95Å; F71-W321 HydrophobicContact CE1-CH2 3.95Å; F71-W321 HydrophobicContact CE1-CZ2 4.43Å; F71-W321 AromaticContact CE2-CH2 3.74Å; F71-W321 HydrophobicContact CE2-CH2 3.74Å; F71-W321 AromaticContact CE2-CZ2 3.78Å; F71-W321 HydrophobicContact CE2-CZ2 3.78Å; F71-W321 HydrophobicContact CG-CH2 4.23Å; F71-W321 AromaticContact CZ-CH2 3.68Å; F71-W321 HydrophobicContact CZ-CH2 3.68Å; F71-W321 AromaticContact CZ-CZ2 3.76Å; F71-W321 HydrophobicContact CZ-CZ2 3.76Å
72E91.1Very high91.4Very high161 Ų16150 Ų5075%0.75224%0.238SC*.  trans4927-176.9-58.5-175176.800113.3M68 M74M68-E72 VanDerWaalsContact O-CA 3.31Å; M68-E72 WeakPolarHBondContact O-CA 3.34Å; M68-E72 PolarHBondContact O-N 3.14Å; E72-M74 PolarHBondContact O-N 3.47Å
73L91.8Very high91.3Very high3 Ų348.8 Ų48.82%0.01623%0.232CC..  trans-62.7-37-174.5178.759.2000110.3S13 K15 Y67 F71 K280S13-L73 WeakPolarHBondContact OG-CD1 3.48Å; K15-L73 HydrophobicContact CB-CD2 4.45Å; K15-L73 HydrophobicContact CD-CD2 4.42Å; K15-L73 HydrophobicContact CG-CD2 3.44Å; K15-L73 VanDerWaalsContact CG-CD2 3.44Å; Y67-L73 WeakPolarHBondContact O-CA 3.5Å; Y67-L73 WeakPolarHBondContact O-CB 3.39Å; Y67-L73 PolarHBondContact O-N 2.83Å; F71-L73 HydrophobicContact CB-CB 4.49Å; F71-L73 PolarHBondContact O-N 2.81Å; L73-K280 HydrophobicContact CD1-CB 4.36Å; L73-K280 HydrophobicContact CD1-CD 4.05Å; L73-K280 HydrophobicContact CD2-CB 4.22Å; L73-K280 HydrophobicContact CG-CB 4.1Å; L73-K280 HydrophobicContact CG-CD 4.07Å; L73-K280 WeakPolarHBondContact O-CD 3.48Å; L73-K280 WeakPolarHBondContact O-CE 3.41Å; L73-K280 PolarHBondContact O-NZ 2.91Å
74M91Very high91.2Very high5 Ų552 Ų523%0.02524%0.244CC..SBendtrans-147.8150.117862.7-164.880.700111.1M68 E72 A79 I83 F104 K280M68-M74 WeakPolarHBondContact CA-O 3Å; M68-M74 WeakPolarHBondContact CB-O 3.39Å; M68-M74 HydrophobicContact CE-CG 4.18Å; M68-M74 HydrophobicContact CE-SD 4.27Å; M68-M74 HydrophobicContact CG-CG 3.79Å; M68-M74 WeakPolarHBondContact CG-O 3.34Å; E72-M74 PolarHBondContact O-N 3.47Å; M74-A79 HydrophobicContact CB-CB 4.43Å; M74-A79 HydrophobicContact CG-CB 3.93Å; M74-A79 HydrophobicContact SD-CB 3.64Å; M74-I83 HydrophobicContact SD-CG2 4.23Å; M74-F104 HydrophobicContact SD-CE1 4.32Å; M74-F104 HydrophobicContact SD-CZ 4.18Å; M74-K280 HydrophobicContact CB-CD 4.28Å; M74-K280 HydrophobicContact CE-CB 3.72Å
75N88.6Confident91.3Very high81 Ų8151.7 Ų51.743%0.43324%0.242SC..  trans-82.3139.7168.2177.1-26.1000109.6N77 D78 A79N75-N77 PolarHBondContact O-N 2.97Å; N75-N77 PolarHBondContact OD1-N 3.5Å; N75-D78 PolarHBondContact O-N 3.02Å; N75-A79 WeakPolarHBondContact O-CB 3.5Å; N75-A79 PolarHBondContact O-N 3.44Å
76P86.1Confident91.4Very high26 Ų2648.2 Ų48.217%0.16922%0.223CC..THydrogen-bonded Turntrans-44-33.1172.8-29.931000116.1M68 S108M68-P76 HydrophobicContact SD-CB 4.03Å; M68-P76 HydrophobicContact SD-CG 3.66Å; P76-S108 WeakPolarHBondContact O-CB 3.42Å; P76-S108 PolarHBondContact O-OG 2.99Å
77N85.5Confident91.6Very high47 Ų4747 Ų4725%0.25122%0.217SC..THydrogen-bonded Turntrans-79.8-30.7-177.5-71.7-30.9000113.6N75 Q110N75-N77 PolarHBondContact O-N 2.97Å; N75-N77 PolarHBondContact OD1-N 3.5Å; N77-Q110 HydrophobicContact CB-CB 4.23Å; N77-Q110 WeakPolarHBondContact OD1-CB 3.47Å; N77-Q110 PolarHBondContact OD1-N 3.27Å
78D86.8Confident91.8Very high78 Ų7846.9 Ų46.942%0.41722%0.217SC..THydrogen-bonded Turntrans-92.7-20.6179-67.7-36.3000113N75 F80 Y81N75-D78 PolarHBondContact O-N 3.02Å; D78-F80 PolarHBondContact O-N 2.93Å; D78-Y81 PolarHBondContact O-N 2.87Å
79A90.5Very high92.1Very high0 Ų049.5 Ų49.50%023%0.231CC..G310 helixtrans-53-35.5-168.800000113.5M68 M74 N75 Y81 Q82 I83 F105M68-A79 HydrophobicContact CE-CB 3.58Å; M74-A79 HydrophobicContact CB-CB 4.43Å; M74-A79 HydrophobicContact CG-CB 3.93Å; M74-A79 HydrophobicContact SD-CB 3.64Å; N75-A79 WeakPolarHBondContact O-CB 3.5Å; N75-A79 PolarHBondContact O-N 3.44Å; A79-Y81 VanDerWaalsContact C-N 3.25Å; A79-Y81 PolarHBondContact O-N 3.06Å; A79-Q82 CarbonylContact O-C 3.48Å; A79-Q82 WeakPolarHBondContact O-CA 3.48Å; A79-Q82 WeakPolarHBondContact O-CB 3.37Å; A79-Q82 PolarHBondContact O-N 2.86Å; A79-I83 WeakPolarHBondContact O-CG2 3.49Å; A79-I83 PolarHBondContact O-N 3.17Å; A79-I83 VanDerWaalsContact O-N 3.15Å; A79-F105 HydrophobicContact CB-CE1 3.69Å; A79-F105 HydrophobicContact CB-CZ 4.14Å
80F87.8Confident92.3Very high51 Ų5146.5 Ų46.522%0.22421%0.214CC..G310 helixtrans-62.5-30.6-178.6169.9-41.4000112.7D78 Q82 F105 R111 P124 V125 P126D78-F80 PolarHBondContact O-N 2.93Å; F80-Q82 PolarHBondContact O-N 3.29Å; F80-F105 HydrophobicContact CB-CE1 3.82Å; F80-F105 HydrophobicContact CB-CZ 3.99Å; F80-R111 VanDerWaalsContact CB-CZ 3.44Å; F80-P124 WeakPolarHBondContact CE2-O 3.24Å; F80-V125 HydrophobicContact CD2-CG2 4.37Å; F80-P126 HydrophobicContact CZ-CG 4.38Å
81Y87.6Confident92.6Very high156 Ų15644.5 Ų44.561%0.61221%0.213SC*.G310 helixtrans-81.5-4.6173.6-55.9-66.7000113.6D78 A79 R111D78-Y81 PolarHBondContact O-N 2.87Å; A79-Y81 VanDerWaalsContact C-N 3.25Å; A79-Y81 PolarHBondContact O-N 3.06Å; Y81-R111 VanDerWaalsContact CE1-NH1 3.25Å; Y81-R111 VanDerWaalsContact CZ-NH1 3.3Å; Y81-R111 PolarHBondContact OH-NH1 3.42Å
82Q92.6Very high93Very high30 Ų3045.1 Ų45.114%0.1422%0.215CC..G310 helixtrans-114.92.1-172.2-57.9-179.8-6.800112.2A79 F80 N278 L279 K280 Y281A79-Q82 CarbonylContact O-C 3.48Å; A79-Q82 WeakPolarHBondContact O-CA 3.48Å; A79-Q82 WeakPolarHBondContact O-CB 3.37Å; A79-Q82 PolarHBondContact O-N 2.86Å; F80-Q82 PolarHBondContact O-N 3.29Å; Q82-N278 WeakPolarHBondContact CG-O 3.27Å; Q82-L279 CarbonylContact O-C 3.5Å; Q82-L279 WeakPolarHBondContact O-CA 3.45Å; Q82-K280 HydrophobicContact CB-CB 4.29Å; Q82-K280 HydrophobicContact CB-CG 4.2Å; Q82-K280 PolarHBondContact O-N 3.38Å; Q82-K280 VanDerWaalsContact OE1-CD 3.28Å; Q82-K280 VanDerWaalsContact OE1-CE 3.31Å; Q82-K280 VanDerWaalsContact OE1-NZ 3.13Å; Q82-Y281 PolarHBondContact O-N 3.43Å; Q82-Y281 VanDerWaalsContact O-N 3.11Å
83I94.4Very high93.3Very high17 Ų1737.4 Ų37.49%0.08718%0.179CC..EExtended strand (participates in β ladder)trans-115.3152.6178.467.9163.2000112.8M74 A79 V85 M101 F104 F105 V125 Y281M74-I83 HydrophobicContact SD-CG2 4.23Å; A79-I83 WeakPolarHBondContact O-CG2 3.49Å; A79-I83 PolarHBondContact O-N 3.17Å; A79-I83 VanDerWaalsContact O-N 3.15Å; I83-V85 HydrophobicContact CD1-CG2 4.17Å; I83-M101 HydrophobicContact CD1-SD 3.74Å; I83-F104 HydrophobicContact CG2-CE1 4.16Å; I83-F105 HydrophobicContact CD1-CE2 3.35Å; I83-F105 HydrophobicContact CD1-CZ 3.4Å; I83-F105 VanDerWaalsContact CD1-CZ 3.4Å; I83-F105 HydrophobicContact CG1-CZ 4.14Å; I83-V125 HydrophobicContact CD1-CG1 3.58Å; I83-Y281 VanDerWaalsContact CA-O 3.25Å; I83-Y281 WeakPolarHBondContact CA-O 3.32Å; I83-Y281 HydrophobicContact CG2-CD1 3.97Å; I83-Y281 HydrophobicContact CG2-CG 4.48Å
84Y95.8Very high93.7Very high66 Ų6639.3 Ų39.326%0.25919%0.189SC..EExtended strand (participates in β ladder)trans-137.3129168.1174.3-87000109.5H86 H128 R257 Y281 F282 V283Y84-H86 HydrophobicContact CE1-CB 3.9Å; Y84-H128 AromaticContact CD2-CD2 3.75Å; Y84-H128 AromaticContact CD2-NE2 3.99Å; Y84-H128 AromaticContact CE2-CD2 3.27Å; Y84-H128 WeakPolarHBondContact CE2-CD2 3.35Å; Y84-H128 AromaticContact CE2-CG 3.91Å; Y84-H128 AromaticContact CE2-NE2 3.69Å; Y84-H128 AromaticContact CZ-CD2 3.79Å; Y84-R257 VanDerWaalsContact CD1-NH1 3.35Å; Y84-Y281 PolarHBondContact N-O 3.38Å; Y84-F282 AromaticContact CD1-CD1 3.79Å; Y84-F282 HydrophobicContact CD1-CD1 3.79Å; Y84-F282 HydrophobicContact CD1-CE1 4.2Å; Y84-F282 HydrophobicContact CG-CD1 4.06Å; Y84-F282 HydrophobicContact CG-CE1 4.22Å; Y84-F282 CarbonylContact O-C 3.57Å; Y84-F282 WeakPolarHBondContact O-CA 3.34Å; Y84-V283 PolarHBondContact O-N 2.92Å
85V97.9Very high94Very high1 Ų141 Ų411%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-118.1123.6-176.2-170.10000110.3I83 A97 M101 V125 I127 H128 V283I83-V85 HydrophobicContact CD1-CG2 4.17Å; V85-A97 HydrophobicContact CG1-CB 4.08Å; V85-M101 HydrophobicContact CG2-CG 4.18Å; V85-M101 HydrophobicContact CG2-SD 3.76Å; V85-V125 HydrophobicContact CG2-CG1 4.23Å; V85-I127 HydrophobicContact CB-CD1 3.83Å; V85-I127 HydrophobicContact CG1-CD1 3.54Å; V85-I127 HydrophobicContact CG1-CG2 4.3Å; V85-I127 HydrophobicContact CG2-CD1 4.22Å; V85-H128 WeakPolarHBondContact O-CB 3.24Å; V85-H128 PolarHBondContact O-CD2 2.84Å; V85-H128 PolarHBondContact O-N 2.89Å; V85-V283 HydrophobicContact CB-CB 4.25Å; V85-V283 HydrophobicContact CG1-CB 3.9Å; V85-V283 HydrophobicContact CG1-CG1 3.93Å; V85-V283 HydrophobicContact CG2-CB 4.06Å; V85-V283 HydrophobicContact CG2-CG2 4.27Å
86H97.6Very high94.5Very high11 Ų1137.1 Ų37.15%0.05118%0.179CC..EExtended strand (participates in β ladder)trans-118129173.7-176.1-168.3000108.9Y84 H128 V283 Y284 S285Y84-H86 HydrophobicContact CE1-CB 3.9Å; H86-H128 CarbonylContact C-O 3.58Å; H86-H128 WeakPolarHBondContact CA-O 3.4Å; H86-H128 PolarHBondContact CD2-O 2.74Å; H86-V283 PolarHBondContact N-O 3.47Å; H86-Y284 HydrophobicContact CB-CD1 4.16Å; H86-Y284 HydrophobicContact CB-CE1 4.44Å; H86-Y284 CarbonylContact O-C 3.59Å; H86-Y284 VanDerWaalsContact O-CA 3.28Å; H86-Y284 WeakPolarHBondContact O-CA 3.39Å; H86-S285 PolarHBondContact O-N 2.94Å
87S98.5Very high95.1Very high0 Ų035.9 Ų35.90%017%0.171CC..EExtended strand (participates in β ladder)trans-116.4148.7171.9-176.80000109.7T93 I94 H128 T129 S285S87-T93 VanDerWaalsContact OG-CB 3.29Å; S87-T93 WeakPolarHBondContact OG-CB 3.5Å; S87-T93 PolarHBondContact OG-O 3.49Å; S87-T93 PolarHBondContact OG-OG1 3.26Å; S87-I94 PolarHBondContact OG-N 2.97Å; S87-I94 VanDerWaalsContact OG-N 3.13Å; S87-H128 PolarHBondContact N-O 2.94Å; S87-T129 WeakPolarHBondContact O-CA 3.37Å; S87-T129 PolarHBondContact O-OG1 2.94Å; S87-S285 WeakPolarHBondContact CA-O 3.44Å
88S98Very high95.7Very high0 Ų037.3 Ų37.30%018%0.178CC..  trans-62.8159.3158.564.20000110.5F90 T93 S285 H287S88-F90 PolarHBondContact O-N 3.4Å; S88-T93 PolarHBondContact O-OG1 3.1Å; S88-T93 WeakPolarHBondContact OG-CB 3.47Å; S88-T93 WeakPolarHBondContact OG-CG2 3.4Å; S88-T93 PolarHBondContact OG-OG1 3.32Å; S88-S285 PolarHBondContact N-O 3Å; S88-H287 PolarHBondContact OG-NE2 3.2Å
89D97.6Very high96.2Very high64 Ų6434.4 Ų34.434%0.34216%0.164SC..SBendtrans-82.555.5-176.1-159.329.7000113.5T129 V130 L132D89-T129 WeakPolarHBondContact CA-OG1 3.26Å; D89-T129 WeakPolarHBondContact CB-OG1 3.28Å; D89-T129 PolarHBondContact N-OG1 3.09Å; D89-T129 PolarHBondContact OD1-OG1 2.85Å; D89-V130 WeakPolarHBondContact CB-O 3.45Å; D89-L132 HydrophobicContact CB-CB 4.28Å; D89-L132 PolarHBondContact OD2-N 3.25Å
90F97.2Very high96.6Very high31 Ų3134.4 Ų34.414%0.13616%0.164CC..SBendtrans-122.6140169.9-67.9-92.5000110.3S88 R92 T93 I94 L132 H287S88-F90 PolarHBondContact O-N 3.4Å; F90-R92 HydrophobicContact CB-CG 4.11Å; F90-R92 VanDerWaalsContact CD1-NH2 3.25Å; F90-R92 PolarHBondContact O-N 3.13Å; F90-R92 VanDerWaalsContact O-N 3.13Å; F90-T93 PolarHBondContact N-OG1 2.94Å; F90-T93 PolarHBondContact O-N 3.48Å; F90-T93 PolarHBondContact O-OG1 3.28Å; F90-I94 WeakPolarHBondContact O-CG1 3.42Å; F90-I94 PolarHBondContact O-N 3.14Å; F90-L132 HydrophobicContact CD2-CD1 4.32Å; F90-L132 HydrophobicContact CE1-CD2 4.34Å; F90-L132 HydrophobicContact CE2-CD1 3.45Å; F90-L132 VanDerWaalsContact CE2-CD1 3.45Å; F90-L132 HydrophobicContact CE2-CD2 4.3Å; F90-L132 HydrophobicContact CZ-CD1 3.78Å; F90-L132 HydrophobicContact CZ-CD2 3.83Å; F90-L132 HydrophobicContact CZ-CG 4.49Å; F90-H287 AromaticContact CD2-CE1 3.51Å; F90-H287 AromaticContact CD2-NE2 3.44Å; F90-H287 WeakPolarHBondContact CD2-NE2 3.46Å; F90-H287 AromaticContact CE2-CE1 3.88Å; F90-H287 AromaticContact CE2-NE2 3.65Å
91N98Very high97Very high97 Ų9732.1 Ų32.152%0.51915%0.154SC..Hα-helixtrans-50.2-43.1176.3-72.6-13.6000112.1E47 T93 T95E47-N91 PolarHBondContact OE1-ND2 3.28Å; E47-N91 WeakPolarHBondContact OE2-CB 3.48Å; N91-T93 PolarHBondContact O-N 2.9Å; N91-T95 WeakPolarHBondContact O-CB 3.45Å; N91-T95 PolarHBondContact O-N 3.36Å; N91-T95 PolarHBondContact O-OG1 3.34Å
92R98.4Very high97.4Very high22 Ų2225.7 Ų25.78%0.08313%0.133CC..Hα-helixtrans-64.4-34.417964.1176.3172-72.3-10114.7H21 G46 L48 F90 S96H21-R92 HydrophobicContact CB-CG 4.47Å; H21-R92 PolarHBondContact NE2-NE 3.47Å; G46-R92 WeakPolarHBondContact O-CD 3.48Å; G46-R92 PolarHBondContact O-NH1 3.38Å; L48-R92 HydrophobicContact CB-CB 4.14Å; L48-R92 HydrophobicContact CD1-CB 4.38Å; F90-R92 HydrophobicContact CB-CG 4.11Å; F90-R92 VanDerWaalsContact CD1-NH2 3.25Å; F90-R92 PolarHBondContact O-N 3.13Å; F90-R92 VanDerWaalsContact O-N 3.13Å; R92-S96 WeakPolarHBondContact O-CB 3.39Å; R92-S96 PolarHBondContact O-N 3.08Å; R92-S96 VanDerWaalsContact O-N 3.08Å; R92-S96 PolarHBondContact O-OG 2.93Å
93T98.6Very high97.6Very high0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-81.6-39.7179.547.60000110.7H21 S87 S88 F90 N91 S96 A97 S285 G286H21-T93 HydrophobicContact CB-CG2 4.09Å; S87-T93 VanDerWaalsContact OG-CB 3.29Å; S87-T93 WeakPolarHBondContact OG-CB 3.5Å; S87-T93 PolarHBondContact OG-O 3.49Å; S87-T93 PolarHBondContact OG-OG1 3.26Å; S88-T93 PolarHBondContact O-OG1 3.1Å; S88-T93 WeakPolarHBondContact OG-CB 3.47Å; S88-T93 WeakPolarHBondContact OG-CG2 3.4Å; S88-T93 PolarHBondContact OG-OG1 3.32Å; F90-T93 PolarHBondContact N-OG1 2.94Å; F90-T93 PolarHBondContact O-N 3.48Å; F90-T93 PolarHBondContact O-OG1 3.28Å; N91-T93 PolarHBondContact O-N 2.9Å; T93-S96 WeakPolarHBondContact O-CB 3.44Å; T93-S96 PolarHBondContact O-N 3.17Å; T93-A97 PolarHBondContact O-N 3.3Å; T93-S285 PolarHBondContact O-OG 2.89Å; T93-G286 VanDerWaalsContact CG2-O 3.28Å; T93-G286 WeakPolarHBondContact CG2-O 3.31Å
94I98.6Very high97.7Very high42 Ų4223.5 Ų23.522%0.21512%0.123CC..Hα-helixtrans-63.2-48.1174.8-64.2170.4000110.3S87 F90 S96 A97 L98S87-I94 PolarHBondContact OG-N 2.97Å; S87-I94 VanDerWaalsContact OG-N 3.13Å; F90-I94 WeakPolarHBondContact O-CG1 3.42Å; F90-I94 PolarHBondContact O-N 3.14Å; I94-S96 VanDerWaalsContact C-N 3.3Å; I94-S96 PolarHBondContact O-N 2.91Å; I94-A97 WeakPolarHBondContact O-CB 3.27Å; I94-A97 PolarHBondContact O-N 2.88Å; I94-A97 VanDerWaalsContact O-N 3.12Å; I94-L98 HydrophobicContact CG2-CD1 4.25Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 3.43Å
95T98.4Very high97.6Very high41 Ų4120.4 Ų20.425%0.25211%0.111SC..Hα-helixtrans-66-33.7178.4-51.60000111.9L48 M53 N91 L98 S99L48-T95 HydrophobicContact CD2-CG2 3.77Å; M53-T95 HydrophobicContact CE-CG2 4.04Å; M53-T95 HydrophobicContact CG-CG2 4.33Å; N91-T95 WeakPolarHBondContact O-CB 3.45Å; N91-T95 PolarHBondContact O-N 3.36Å; N91-T95 PolarHBondContact O-OG1 3.34Å; T95-L98 PolarHBondContact O-N 3.34Å; T95-S99 WeakPolarHBondContact O-CB 3.17Å; T95-S99 PolarHBondContact O-N 3.47Å; T95-S99 PolarHBondContact O-OG 3.47Å
96S98.9Very high97.3Very high0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-62.8-44.2171.2-71.10000111.6H21 G22 L48 R92 T93 I94 S99 N100H21-S96 VanDerWaalsContact CA-OG 3.28Å; H21-S96 WeakPolarHBondContact CA-OG 3.34Å; H21-S96 VanDerWaalsContact CB-OG 3.26Å; H21-S96 WeakPolarHBondContact CB-OG 3.43Å; G22-S96 PolarHBondContact N-OG 2.87Å; G22-S96 VanDerWaalsContact N-OG 3.07Å; L48-S96 WeakPolarHBondContact CD1-OG 3.47Å; R92-S96 WeakPolarHBondContact O-CB 3.39Å; R92-S96 PolarHBondContact O-N 3.08Å; R92-S96 VanDerWaalsContact O-N 3.08Å; R92-S96 PolarHBondContact O-OG 2.93Å; T93-S96 WeakPolarHBondContact O-CB 3.44Å; T93-S96 PolarHBondContact O-N 3.17Å; I94-S96 VanDerWaalsContact C-N 3.3Å; I94-S96 PolarHBondContact O-N 2.91Å; S96-S99 PolarHBondContact O-N 2.78Å; S96-N100 VanDerWaalsContact O-CB 3.27Å; S96-N100 WeakPolarHBondContact O-CB 3.45Å; S96-N100 PolarHBondContact O-N 2.91Å
97A98.7Very high96.7Very high0 Ų024.6 Ų24.60%014%0.141CC..Hα-helixtrans-63.9-43.1177.500000111.8V85 T93 I94 N100 M101 I127V85-A97 HydrophobicContact CG1-CB 4.08Å; T93-A97 PolarHBondContact O-N 3.3Å; I94-A97 WeakPolarHBondContact O-CB 3.27Å; I94-A97 PolarHBondContact O-N 2.88Å; I94-A97 VanDerWaalsContact O-N 3.12Å; A97-N100 PolarHBondContact O-N 3.37Å; A97-M101 WeakPolarHBondContact O-CB 3.4Å; A97-M101 VanDerWaalsContact O-CG 3.3Å; A97-M101 WeakPolarHBondContact O-CG 3.18Å; A97-M101 PolarHBondContact O-N 2.93Å; A97-I127 HydrophobicContact CB-CD1 3.9Å; A97-I127 HydrophobicContact CB-CG1 4.35Å; A97-I127 HydrophobicContact CB-CG2 3.93Å
98L97.9Very high96Very high77 Ų7724.9 Ų24.940%0.40314%0.143SC..Hα-helixtrans-58.9-47.2174.1-71.9169.8000111.9I94 T95 M101 A102 I127I94-L98 HydrophobicContact CG2-CD1 4.25Å; I94-L98 WeakPolarHBondContact O-CG 3.44Å; I94-L98 PolarHBondContact O-N 3.43Å; T95-L98 PolarHBondContact O-N 3.34Å; L98-M101 PolarHBondContact O-N 2.86Å; L98-A102 PolarHBondContact O-N 2.86Å; L98-I127 HydrophobicContact CD2-CG1 3.83Å; L98-I127 HydrophobicContact CG-CG1 4.19Å
99S98.1Very high95.1Very high17 Ų1729.1 Ų29.112%0.11917%0.173CC..Hα-helixtrans-64.7-41.7179-55.40000111.6M53 Y57 T95 S96 A102 G103M53-S99 WeakPolarHBondContact O-CB 3.18Å; Y57-S99 WeakPolarHBondContact CA-O 3.45Å; T95-S99 WeakPolarHBondContact O-CB 3.17Å; T95-S99 PolarHBondContact O-N 3.47Å; T95-S99 PolarHBondContact O-OG 3.47Å; S96-S99 PolarHBondContact O-N 2.78Å; S99-A102 WeakPolarHBondContact O-CB 2.82Å; S99-A102 PolarHBondContact O-N 2.94Å; S99-G103 PolarHBondContact O-N 3.04Å; S99-G103 VanDerWaalsContact O-N 3.14Å
100N98.3Very high94.2Very high0 Ų032.7 Ų32.70%019%0.187CC..Hα-helixtrans-61.2-47175.7-168.2-73000111.5F19 Q56 G60 S96 A97 A102 G103 F104F19-N100 HydrophobicContact CE1-CB 4.34Å; F19-N100 HydrophobicContact CZ-CB 4.04Å; Q56-N100 HydrophobicContact CB-CB 4.42Å; Q56-N100 VanDerWaalsContact O-CA 3.32Å; Q56-N100 WeakPolarHBondContact O-CA 3.44Å; Q56-N100 PolarHBondContact OE1-ND2 3.36Å; Q56-N100 VanDerWaalsContact OE1-ND2 3.1Å; G60-N100 VanDerWaalsContact CA-O 3.29Å; G60-N100 WeakPolarHBondContact CA-O 3.35Å; S96-N100 VanDerWaalsContact O-CB 3.27Å; S96-N100 WeakPolarHBondContact O-CB 3.45Å; S96-N100 PolarHBondContact O-N 2.91Å; A97-N100 PolarHBondContact O-N 3.37Å; N100-A102 VanDerWaalsContact C-N 3.33Å; N100-A102 PolarHBondContact O-N 2.87Å; N100-G103 PolarHBondContact O-N 3.13Å; N100-G103 VanDerWaalsContact O-N 3.11Å; N100-F104 WeakPolarHBondContact O-CB 3.28Å; N100-F104 PolarHBondContact O-N 2.89Å
101M96.9Very high93.5Very high3 Ų334.2 Ų34.22%0.01519%0.192CC..Hα-helixtrans-66.5-33.7177.9-67.6-58.295.400112.4I83 V85 A97 L98 G103 F104 F105 V125 I127 V283I83-M101 HydrophobicContact CD1-SD 3.74Å; V85-M101 HydrophobicContact CG2-CG 4.18Å; V85-M101 HydrophobicContact CG2-SD 3.76Å; A97-M101 WeakPolarHBondContact O-CB 3.4Å; A97-M101 VanDerWaalsContact O-CG 3.3Å; A97-M101 WeakPolarHBondContact O-CG 3.18Å; A97-M101 PolarHBondContact O-N 2.93Å; L98-M101 PolarHBondContact O-N 2.86Å; M101-G103 VanDerWaalsContact C-N 3.27Å; M101-G103 PolarHBondContact O-N 3.33Å; M101-F104 HydrophobicContact CE-CB 4.02Å; M101-F104 HydrophobicContact CE-CG 4.27Å; M101-F104 PolarHBondContact O-N 3.27Å; M101-F105 HydrophobicContact CB-CD2 4.45Å; M101-F105 WeakPolarHBondContact O-CD2 3.21Å; M101-F105 PolarHBondContact O-N 3.12Å; M101-F105 HydrophobicContact SD-CD2 4.47Å; M101-F105 HydrophobicContact SD-CE2 3.98Å; M101-V125 HydrophobicContact CB-CB 3.96Å; M101-V125 HydrophobicContact CB-CG1 4.36Å; M101-V125 HydrophobicContact CB-CG2 4Å; M101-V125 HydrophobicContact CG-CB 4.04Å; M101-V125 HydrophobicContact CG-CG1 3.9Å; M101-V125 HydrophobicContact CG-CG2 4.41Å; M101-V125 HydrophobicContact SD-CG1 4.11Å; M101-I127 HydrophobicContact CG-CD1 4.07Å; M101-V283 HydrophobicContact CE-CG2 4.16Å
102A95.9Very high92.9Very high21 Ų2130.6 Ų30.617%0.17417%0.173CC..Hα-helixtrans-60.7-38171.500000112.1Y57 L98 S99 N100 S106Y57-A102 HydrophobicContact CD2-CB 4.15Å; Y57-A102 HydrophobicContact CE2-CB 4.43Å; L98-A102 PolarHBondContact O-N 2.86Å; S99-A102 WeakPolarHBondContact O-CB 2.82Å; S99-A102 PolarHBondContact O-N 2.94Å; N100-A102 VanDerWaalsContact C-N 3.33Å; N100-A102 PolarHBondContact O-N 2.87Å; A102-S106 WeakPolarHBondContact O-CB 3.4Å; A102-S106 PolarHBondContact O-N 3.06Å
103G96Very high92.5Very high0 Ų031.2 Ų31.20%018%0.181CC..Hα-helixtrans-70-45.9172.800000113Y57 K61 S99 N100 M101 F105 S106Y57-G103 VanDerWaalsContact CD2-CA 3.41Å; Y57-G103 VanDerWaalsContact CD2-N 3.29Å; Y57-G103 VanDerWaalsContact CE2-CA 3.43Å; Y57-G103 WeakPolarHBondContact O-CA 3.39Å; K61-G103 WeakPolarHBondContact CG-O 3.43Å; S99-G103 PolarHBondContact O-N 3.04Å; S99-G103 VanDerWaalsContact O-N 3.14Å; N100-G103 PolarHBondContact O-N 3.13Å; N100-G103 VanDerWaalsContact O-N 3.11Å; M101-G103 VanDerWaalsContact C-N 3.27Å; M101-G103 PolarHBondContact O-N 3.33Å; G103-F105 VanDerWaalsContact C-N 3.3Å; G103-F105 PolarHBondContact O-N 3.06Å; G103-S106 WeakPolarHBondContact O-CB 3.46Å; G103-S106 PolarHBondContact O-N 2.84Å; G103-S106 PolarHBondContact O-OG 3.46Å
104F95.5Very high92Very high0 Ų037.8 Ų37.80%022%0.221CC..Hα-helixtrans-63.5-33.7-176.3-168-96.9000112.9G60 L63 A64 Y67 M68 M74 I83 N100 M101 Y281G60-F104 WeakPolarHBondContact O-CA 3.06Å; G60-F104 WeakPolarHBondContact O-CD2 2.99Å; L63-F104 HydrophobicContact CB-CD2 3.84Å; L63-F104 HydrophobicContact CB-CE2 3.93Å; A64-F104 HydrophobicContact CB-CD2 3.87Å; A64-F104 HydrophobicContact CB-CE2 4.26Å; A64-F104 HydrophobicContact CB-CG 4.24Å; A64-F104 WeakPolarHBondContact CB-O 3.3Å; Y67-F104 HydrophobicContact CD2-CE2 4.23Å; M68-F104 HydrophobicContact CE-CD1 3.62Å; M68-F104 HydrophobicContact CE-CE1 3.13Å; M68-F104 HydrophobicContact CE-CE2 4.3Å; M68-F104 HydrophobicContact CE-CG 4.4Å; M68-F104 HydrophobicContact CE-CZ 3.52Å; M74-F104 HydrophobicContact SD-CE1 4.32Å; M74-F104 HydrophobicContact SD-CZ 4.18Å; I83-F104 HydrophobicContact CG2-CE1 4.16Å; N100-F104 WeakPolarHBondContact O-CB 3.28Å; N100-F104 PolarHBondContact O-N 2.89Å; M101-F104 HydrophobicContact CE-CB 4.02Å; M101-F104 HydrophobicContact CE-CG 4.27Å; M101-F104 PolarHBondContact O-N 3.27Å; F104-Y281 HydrophobicContact CD2-CE1 4.25Å; F104-Y281 HydrophobicContact CE1-CD1 4.19Å; F104-Y281 HydrophobicContact CE1-CE1 4.43Å; F104-Y281 AromaticContact CE2-CD1 3.98Å; F104-Y281 HydrophobicContact CE2-CD1 3.98Å; F104-Y281 AromaticContact CE2-CE1 3.65Å; F104-Y281 HydrophobicContact CE2-CE1 3.65Å; F104-Y281 AromaticContact CZ-CD1 3.58Å; F104-Y281 HydrophobicContact CZ-CD1 3.58Å; F104-Y281 AromaticContact CZ-CE1 3.74Å; F104-Y281 HydrophobicContact CZ-CE1 3.74Å
105F94.3Very high91.7Very high2 Ų241.5 Ų41.51%0.00924%0.236CC..THydrogen-bonded Turntrans-10110.3177.9-71.3-82.9000113.9A79 F80 I83 M101 G103 S107 S108 V125A79-F105 HydrophobicContact CB-CE1 3.69Å; A79-F105 HydrophobicContact CB-CZ 4.14Å; F80-F105 HydrophobicContact CB-CE1 3.82Å; F80-F105 HydrophobicContact CB-CZ 3.99Å; I83-F105 HydrophobicContact CD1-CE2 3.35Å; I83-F105 HydrophobicContact CD1-CZ 3.4Å; I83-F105 VanDerWaalsContact CD1-CZ 3.4Å; I83-F105 HydrophobicContact CG1-CZ 4.14Å; M101-F105 HydrophobicContact CB-CD2 4.45Å; M101-F105 WeakPolarHBondContact O-CD2 3.21Å; M101-F105 PolarHBondContact O-N 3.12Å; M101-F105 HydrophobicContact SD-CD2 4.47Å; M101-F105 HydrophobicContact SD-CE2 3.98Å; G103-F105 VanDerWaalsContact C-N 3.3Å; G103-F105 PolarHBondContact O-N 3.06Å; F105-S107 PolarHBondContact O-N 2.8Å; F105-S107 VanDerWaalsContact O-N 3.1Å; F105-S108 WeakPolarHBondContact O-CB 3.23Å; F105-S108 PolarHBondContact O-N 2.91Å; F105-V125 HydrophobicContact CD2-CG2 3.54Å; F105-V125 HydrophobicContact CE2-CG1 4.43Å; F105-V125 HydrophobicContact CE2-CG2 3.49Å; F105-V125 VanDerWaalsContact CE2-CG2 3.49Å; F105-V125 HydrophobicContact CG-CG2 4.36Å; F105-V125 HydrophobicContact CZ-CG2 4.27Å
106S91.8Very high91.5Very high25 Ų2545.8 Ų45.818%0.17526%0.264CS..THydrogen-bonded Turntrans-61.8-21.8-175.2600000114.5A102 G103A102-S106 WeakPolarHBondContact O-CB 3.4Å; A102-S106 PolarHBondContact O-N 3.06Å; G103-S106 WeakPolarHBondContact O-CB 3.46Å; G103-S106 PolarHBondContact O-N 2.84Å; G103-S106 PolarHBondContact O-OG 3.46Å
107S86Confident91.3Very high74 Ų7449.8 Ų49.852%0.51731%0.306SS..THydrogen-bonded Turntrans-96.3-2.4174.559.60000114.2F105F105-S107 PolarHBondContact O-N 2.8Å; F105-S107 VanDerWaalsContact O-N 3.1Å
108S83.6Confident91Very high7 Ų752.9 Ų52.95%0.04932%0.317CS..  trans-85.2130.8179.7-170.10000111.1P76 F105 T112P76-S108 WeakPolarHBondContact O-CB 3.42Å; P76-S108 PolarHBondContact O-OG 2.99Å; F105-S108 WeakPolarHBondContact O-CB 3.23Å; F105-S108 PolarHBondContact O-N 2.91Å; S108-T112 PolarHBondContact O-OG1 2.71Å; S108-T112 VanDerWaalsContact O-OG1 3.04Å
109S79.2Confident90.6Very high89 Ų8952.5 Ų52.562%0.62232%0.319SS*.  trans-114.4-28.8-177.5600000113.5R111 T112S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 3.38Å; S109-T112 PolarHBondContact O-N 3.16Å
110Q78.7Confident90.1Very high138 Ų13857.8 Ų57.865%0.64535%0.351SS*.THydrogen-bonded Turntrans-66.7-31.5-167.1-168.5175.225.700113.9N77N77-Q110 HydrophobicContact CB-CB 4.23Å; N77-Q110 WeakPolarHBondContact OD1-CB 3.47Å; N77-Q110 PolarHBondContact OD1-N 3.27Å
111R81.5Confident89.5Confident64 Ų6462.5 Ų62.524%0.24238%0.376CS..THydrogen-bonded Turntrans-106.8-3.2-179.6-85.2-151.9-83-154.7-23.9115.4F80 Y81 S109 P113F80-R111 VanDerWaalsContact CB-CZ 3.44Å; Y81-R111 VanDerWaalsContact CE1-NH1 3.25Å; Y81-R111 VanDerWaalsContact CZ-NH1 3.3Å; Y81-R111 PolarHBondContact OH-NH1 3.42Å; S109-R111 VanDerWaalsContact C-N 3.32Å; S109-R111 PolarHBondContact O-N 3.38Å; R111-P113 WeakPolarHBondContact O-CD 3.39Å
112T86.4Confident89.1Confident20 Ų2066.4 Ų66.412%0.12339%0.391CS..SBendtrans-70.3115.4177.6-64.40000108.3S108 S109 S123S108-T112 PolarHBondContact O-OG1 2.71Å; S108-T112 VanDerWaalsContact O-OG1 3.04Å; S109-T112 PolarHBondContact O-N 3.16Å; T112-S123 WeakPolarHBondContact CA-OG 3.5Å; T112-S123 PolarHBondContact N-OG 3.29Å; T112-S123 PolarHBondContact OG1-OG 3.23Å
113P89.1Confident88.8Confident36 Ų3665.5 Ų65.523%0.23438%0.383CS..  trans-57.9142.7176.3-25.535.4000112.1R111 F115 W118R111-P113 WeakPolarHBondContact O-CD 3.39Å; P113-F115 HydrophobicContact CB-CD1 3.88Å; P113-F115 HydrophobicContact CB-CE1 3.53Å; P113-F115 HydrophobicContact CB-CZ 4.35Å; P113-F115 HydrophobicContact CG-CE1 4.45Å; P113-W118 HydrophobicContact CB-CD2 3.69Å; P113-W118 HydrophobicContact CB-CE3 4.22Å; P113-W118 HydrophobicContact CB-CG 3.88Å; P113-W118 HydrophobicContact CB-CZ2 4.17Å; P113-W118 VanDerWaalsContact CD-CE2 3.49Å; P113-W118 HydrophobicContact CG-CD2 3.97Å; P113-W118 VanDerWaalsContact CG-CE2 3.48Å; P113-W118 HydrophobicContact CG-CE3 4.43Å; P113-W118 HydrophobicContact CG-CH2 3.94Å; P113-W118 HydrophobicContact CG-CZ2 3.48Å; P113-W118 VanDerWaalsContact CG-CZ2 3.48Å; P113-W118 HydrophobicContact CG-CZ3 4.41Å
114T89.3Confident88.5Confident138 Ų13868.2 Ų68.285%0.84740%0.401SS*.  trans-1168.5-17256.10000113.9
115F90.6Very high88.3Confident119 Ų11969 Ų6952%0.52241%0.406SS..SBendtrans-74.9152.8179.657.6-99000112.1P113 G117 W118P113-F115 HydrophobicContact CB-CD1 3.88Å; P113-F115 HydrophobicContact CB-CE1 3.53Å; P113-F115 HydrophobicContact CB-CZ 4.35Å; P113-F115 HydrophobicContact CG-CE1 4.45Å; F115-G117 PolarHBondContact O-N 3.21Å; F115-W118 HydrophobicContact CD2-CB 4.25Å; F115-W118 HydrophobicContact CE1-CD2 4.44Å; F115-W118 AromaticContact CE1-CE3 3.92Å; F115-W118 HydrophobicContact CE1-CE3 3.92Å; F115-W118 HydrophobicContact CE1-CZ3 4.35Å; F115-W118 HydrophobicContact CE2-CB 4.15Å; F115-W118 HydrophobicContact CE2-CD2 4.43Å; F115-W118 AromaticContact CE2-CE3 3.66Å; F115-W118 HydrophobicContact CE2-CE3 3.66Å; F115-W118 HydrophobicContact CE2-CZ3 4.45Å; F115-W118 HydrophobicContact CZ-CB 4.48Å; F115-W118 HydrophobicContact CZ-CD2 4.02Å; F115-W118 AromaticContact CZ-CE3 3.17Å; F115-W118 HydrophobicContact CZ-CE3 3.17Å; F115-W118 AromaticContact CZ-CZ3 3.65Å; F115-W118 HydrophobicContact CZ-CZ3 3.65Å; F115-W118 VanDerWaalsContact O-CB 3.31Å; F115-W118 WeakPolarHBondContact O-CB 3.42Å; F115-W118 PolarHBondContact O-N 2.94Å
116P95Very high88.4Confident131 Ų13172.1 Ų72.185%0.85143%0.426SS*.THydrogen-bonded Turntrans-55.4134.8-178.5-26.735.3000113.2
117G93.9Very high88.6Confident85 Ų8572.6 Ų72.688%0.87643%0.426SS*.THydrogen-bonded Turntrans88.6-4.7-178.700000114.9F115F115-G117 PolarHBondContact O-N 3.21Å
118W92.9Very high89.2Confident65 Ų6573.2 Ų73.225%0.24642%0.421CS..PPolyproline II helixtrans-72.6140.5173.3-169.1-98.5000112.1P113 F115 W122 P124P113-W118 HydrophobicContact CB-CD2 3.69Å; P113-W118 HydrophobicContact CB-CE3 4.22Å; P113-W118 HydrophobicContact CB-CG 3.88Å; P113-W118 HydrophobicContact CB-CZ2 4.17Å; P113-W118 VanDerWaalsContact CD-CE2 3.49Å; P113-W118 HydrophobicContact CG-CD2 3.97Å; P113-W118 VanDerWaalsContact CG-CE2 3.48Å; P113-W118 HydrophobicContact CG-CE3 4.43Å; P113-W118 HydrophobicContact CG-CH2 3.94Å; P113-W118 HydrophobicContact CG-CZ2 3.48Å; P113-W118 VanDerWaalsContact CG-CZ2 3.48Å; P113-W118 HydrophobicContact CG-CZ3 4.41Å; F115-W118 HydrophobicContact CD2-CB 4.25Å; F115-W118 HydrophobicContact CE1-CD2 4.44Å; F115-W118 AromaticContact CE1-CE3 3.92Å; F115-W118 HydrophobicContact CE1-CE3 3.92Å; F115-W118 HydrophobicContact CE1-CZ3 4.35Å; F115-W118 HydrophobicContact CE2-CB 4.15Å; F115-W118 HydrophobicContact CE2-CD2 4.43Å; F115-W118 AromaticContact CE2-CE3 3.66Å; F115-W118 HydrophobicContact CE2-CE3 3.66Å; F115-W118 HydrophobicContact CE2-CZ3 4.45Å; F115-W118 HydrophobicContact CZ-CB 4.48Å; F115-W118 HydrophobicContact CZ-CD2 4.02Å; F115-W118 AromaticContact CZ-CE3 3.17Å; F115-W118 HydrophobicContact CZ-CE3 3.17Å; F115-W118 AromaticContact CZ-CZ3 3.65Å; F115-W118 HydrophobicContact CZ-CZ3 3.65Å; F115-W118 VanDerWaalsContact O-CB 3.31Å; F115-W118 WeakPolarHBondContact O-CB 3.42Å; F115-W118 PolarHBondContact O-N 2.94Å; W118-W122 HydrophobicContact CD2-CE3 4.45Å; W118-W122 AromaticContact CE2-CE3 3.54Å; W118-W122 AromaticContact CE2-CZ3 3.86Å; W118-W122 AromaticContact CH2-CE3 3.88Å; W118-W122 HydrophobicContact CH2-CE3 3.88Å; W118-W122 HydrophobicContact CH2-CH2 4.15Å; W118-W122 AromaticContact CH2-CZ3 3.31Å; W118-W122 HydrophobicContact CH2-CZ3 3.31Å; W118-W122 HydrophobicContact CZ2-CD2 4.26Å; W118-W122 AromaticContact CZ2-CE3 3.2Å; W118-W122 HydrophobicContact CZ2-CE3 3.2Å; W118-W122 HydrophobicContact CZ2-CH2 4.18Å; W118-W122 AromaticContact CZ2-CZ3 3.16Å; W118-W122 HydrophobicContact CZ2-CZ3 3.16Å; W118-W122 HydrophobicContact CZ3-CZ3 4.07Å; W118-W122 AromaticContact NE1-CE3 3.83Å; W118-W122 PolarHBondContact NE1-O 2.73Å; W118-P124 HydrophobicContact CH2-CG 4.39Å; W118-P124 HydrophobicContact CZ2-CG 4.29Å
119P89.7Confident89.9Confident68 Ų6875.7 Ų75.744%0.44244%0.436SS..PPolyproline II helixtrans-60.9137.4176.1-22.833.3000113.1W122P119-W122 HydrophobicContact CB-CB 4Å; P119-W122 HydrophobicContact CB-CE3 4.24Å; P119-W122 HydrophobicContact CG-CE3 3.85Å; P119-W122 HydrophobicContact CG-CZ3 4.4Å
120V87.6Confident90.7Very high129 Ų12974.3 Ų74.378%0.78242%0.423SS*.THydrogen-bonded Turntrans-64.4135.5179.81800000110.6W122V120-W122 PolarHBondContact O-N 3.08Å
121N85.5Confident91.5Very high99 Ų9974.9 Ų74.953%0.52942%0.424SS..THydrogen-bonded Turntrans5531.4176-59.5-17.1000114.8
122W89.2Confident91.9Very high84 Ų8474 Ų7432%0.31842%0.423SS..  trans-116.2119.9178.9-177.862.4000112.1W118 P119 V120 P124W118-W122 HydrophobicContact CD2-CE3 4.45Å; W118-W122 AromaticContact CE2-CE3 3.54Å; W118-W122 AromaticContact CE2-CZ3 3.86Å; W118-W122 AromaticContact CH2-CE3 3.88Å; W118-W122 HydrophobicContact CH2-CE3 3.88Å; W118-W122 HydrophobicContact CH2-CH2 4.15Å; W118-W122 AromaticContact CH2-CZ3 3.31Å; W118-W122 HydrophobicContact CH2-CZ3 3.31Å; W118-W122 HydrophobicContact CZ2-CD2 4.26Å; W118-W122 AromaticContact CZ2-CE3 3.2Å; W118-W122 HydrophobicContact CZ2-CE3 3.2Å; W118-W122 HydrophobicContact CZ2-CH2 4.18Å; W118-W122 AromaticContact CZ2-CZ3 3.16Å; W118-W122 HydrophobicContact CZ2-CZ3 3.16Å; W118-W122 HydrophobicContact CZ3-CZ3 4.07Å; W118-W122 AromaticContact NE1-CE3 3.83Å; W118-W122 PolarHBondContact NE1-O 2.73Å; P119-W122 HydrophobicContact CB-CB 4Å; P119-W122 HydrophobicContact CB-CE3 4.24Å; P119-W122 HydrophobicContact CG-CE3 3.85Å; P119-W122 HydrophobicContact CG-CZ3 4.4Å; V120-W122 PolarHBondContact O-N 3.08Å; W122-P124 HydrophobicContact CH2-CB 4.01Å; W122-P124 HydrophobicContact CZ2-CB 3.95Å
123S88.5Confident92.1Very high3 Ų379.4 Ų79.42%0.02145%0.45CS..  trans-108.5128.1168.5-79.40000109.2T112 V125T112-S123 WeakPolarHBondContact CA-OG 3.5Å; T112-S123 PolarHBondContact N-OG 3.29Å; T112-S123 PolarHBondContact OG1-OG 3.23Å; S123-V125 PolarHBondContact O-N 3.39Å
124P89.7Confident92.3Very high57 Ų5782.3 Ų82.337%0.3746%0.464SS..  trans-74.6124.2-177.929-30000110.1F80 W118 W122F80-P124 WeakPolarHBondContact CE2-O 3.24Å; W118-P124 HydrophobicContact CH2-CG 4.39Å; W118-P124 HydrophobicContact CZ2-CG 4.29Å; W122-P124 HydrophobicContact CH2-CB 4.01Å; W122-P124 HydrophobicContact CZ2-CB 3.95Å
125V92.6Very high92.5Very high16 Ų1675.9 Ų75.910%0.09742%0.424CS..  trans-111.2132.6-178.5177.50000110.2F80 I83 V85 M101 F105 S123 I127F80-V125 HydrophobicContact CD2-CG2 4.37Å; I83-V125 HydrophobicContact CD1-CG1 3.58Å; V85-V125 HydrophobicContact CG2-CG1 4.23Å; M101-V125 HydrophobicContact CB-CB 3.96Å; M101-V125 HydrophobicContact CB-CG1 4.36Å; M101-V125 HydrophobicContact CB-CG2 4Å; M101-V125 HydrophobicContact CG-CB 4.04Å; M101-V125 HydrophobicContact CG-CG1 3.9Å; M101-V125 HydrophobicContact CG-CG2 4.41Å; M101-V125 HydrophobicContact SD-CG1 4.11Å; F105-V125 HydrophobicContact CD2-CG2 3.54Å; F105-V125 HydrophobicContact CE2-CG1 4.43Å; F105-V125 HydrophobicContact CE2-CG2 3.49Å; F105-V125 VanDerWaalsContact CE2-CG2 3.49Å; F105-V125 HydrophobicContact CG-CG2 4.36Å; F105-V125 HydrophobicContact CZ-CG2 4.27Å; S123-V125 PolarHBondContact O-N 3.39Å; V125-I127 PolarHBondContact O-N 2.82Å
126P95.2Very high92.7Very high67 Ų6771.2 Ų71.244%0.43541%0.407SS..  trans-61.2128.3175.9-22.433.3000112.3F80F80-P126 HydrophobicContact CZ-CG 4.38Å
127I97.6Very high92.7Very high36 Ų3666.5 Ų66.519%0.18538%0.376CS..  trans-113.9116.1172.9-49.4-58.7000107.6V85 A97 L98 M101 V125V85-I127 HydrophobicContact CB-CD1 3.83Å; V85-I127 HydrophobicContact CG1-CD1 3.54Å; V85-I127 HydrophobicContact CG1-CG2 4.3Å; V85-I127 HydrophobicContact CG2-CD1 4.22Å; A97-I127 HydrophobicContact CB-CD1 3.9Å; A97-I127 HydrophobicContact CB-CG1 4.35Å; A97-I127 HydrophobicContact CB-CG2 3.93Å; L98-I127 HydrophobicContact CD2-CG1 3.83Å; L98-I127 HydrophobicContact CG-CG1 4.19Å; M101-I127 HydrophobicContact CG-CD1 4.07Å; V125-I127 PolarHBondContact O-N 2.82Å
128H97.8Very high92.9Very high86 Ų8662.5 Ų62.540%0.39833%0.334SS..BIsolated β-bridgetrans-88.8148177.7-58.1-76.6000110.5Y84 V85 H86 S87Y84-H128 AromaticContact CD2-CD2 3.75Å; Y84-H128 AromaticContact CD2-NE2 3.99Å; Y84-H128 AromaticContact CE2-CD2 3.27Å; Y84-H128 WeakPolarHBondContact CE2-CD2 3.35Å; Y84-H128 AromaticContact CE2-CG 3.91Å; Y84-H128 AromaticContact CE2-NE2 3.69Å; Y84-H128 AromaticContact CZ-CD2 3.79Å; V85-H128 WeakPolarHBondContact O-CB 3.24Å; V85-H128 PolarHBondContact O-CD2 2.84Å; V85-H128 PolarHBondContact O-N 2.89Å; H86-H128 CarbonylContact C-O 3.58Å; H86-H128 WeakPolarHBondContact CA-O 3.4Å; H86-H128 PolarHBondContact CD2-O 2.74Å; S87-H128 PolarHBondContact N-O 2.94Å
129T97.6Very high93Very high60 Ų6062.6 Ų62.637%0.36833%0.334SS..  trans-143.2159.9175.2-174.30000109.5S87 D89S87-T129 WeakPolarHBondContact O-CA 3.37Å; S87-T129 PolarHBondContact O-OG1 2.94Å; D89-T129 WeakPolarHBondContact CA-OG1 3.26Å; D89-T129 WeakPolarHBondContact CB-OG1 3.28Å; D89-T129 PolarHBondContact N-OG1 3.09Å; D89-T129 PolarHBondContact OD1-OG1 2.85Å
130V95.8Very high93.2Very high60 Ų6059.7 Ų59.736%0.36432%0.315SS..  trans-119.2137.91701770000107.1D89 L132 D134 D135D89-V130 WeakPolarHBondContact CB-O 3.45Å; V130-L132 PolarHBondContact O-N 2.85Å; V130-D134 HydrophobicContact CG1-CB 3.95Å; V130-D135 HydrophobicContact CB-CB 4.05Å; V130-D135 HydrophobicContact CG1-CB 4.07Å
131K95.3Very high93.5Very high149 Ų14957.6 Ų57.665%0.64830%0.296SS*.  trans-48.3132.6178.1-68.7-178.9-178.5176.70110I133 D134 D135K131-I133 PolarHBondContact O-N 2.93Å; K131-D134 WeakPolarHBondContact O-CA 3.2Å; K131-D134 PolarHBondContact O-N 2.69Å; K131-D135 PolarHBondContact O-N 2.96Å
132L90.7Very high93.9Very high45 Ų4553 Ų5324%0.23627%0.272CS..G310 helixtrans-47.9-43.4-172.2-175.762.6000113.9D89 F90 V130 D134 D135 W139D89-L132 HydrophobicContact CB-CB 4.28Å; D89-L132 PolarHBondContact OD2-N 3.25Å; F90-L132 HydrophobicContact CD2-CD1 4.32Å; F90-L132 HydrophobicContact CE1-CD2 4.34Å; F90-L132 HydrophobicContact CE2-CD1 3.45Å; F90-L132 VanDerWaalsContact CE2-CD1 3.45Å; F90-L132 HydrophobicContact CE2-CD2 4.3Å; F90-L132 HydrophobicContact CZ-CD1 3.78Å; F90-L132 HydrophobicContact CZ-CD2 3.83Å; F90-L132 HydrophobicContact CZ-CG 4.49Å; V130-L132 PolarHBondContact O-N 2.85Å; L132-D134 PolarHBondContact O-N 2.88Å; L132-D135 PolarHBondContact O-N 2.93Å; L132-W139 HydrophobicContact CD1-CB 3.93Å; L132-W139 HydrophobicContact CD1-CD2 3.65Å; L132-W139 HydrophobicContact CD1-CE3 3.86Å; L132-W139 HydrophobicContact CD1-CG 3.7Å; L132-W139 HydrophobicContact CG-CD2 4.08Å; L132-W139 HydrophobicContact CG-CE3 3.87Å; L132-W139 HydrophobicContact CG-CZ3 4.09Å
133I90.8Very high94.1Very high135 Ų13553.1 Ų53.169%0.69228%0.283SS*.G310 helixtrans-66.7-21.3-178.6-165.4161000114.4K131K131-I133 PolarHBondContact O-N 2.93Å
134D93.1Very high94.5Very high96 Ų9653 Ų5351%0.51328%0.282SS..G310 helixtrans-100.9-7.3179.2-61.8-49000112.1V130 K131 L132 S136V130-D134 HydrophobicContact CG1-CB 3.95Å; K131-D134 WeakPolarHBondContact O-CA 3.2Å; K131-D134 PolarHBondContact O-N 2.69Å; L132-D134 PolarHBondContact O-N 2.88Å; D134-S136 PolarHBondContact O-N 3.02Å
135D93.9Very high94.9Very high3 Ų352.1 Ų52.12%0.01628%0.277CS..  trans-93.568-172.5-1712.2000113.1V130 K131 L132 T137 M138 W139V130-D135 HydrophobicContact CB-CB 4.05Å; V130-D135 HydrophobicContact CG1-CB 4.07Å; K131-D135 PolarHBondContact O-N 2.96Å; L132-D135 PolarHBondContact O-N 2.93Å; D135-T137 PolarHBondContact O-N 3.46Å; D135-T137 VanDerWaalsContact O-N 3.13Å; D135-T137 PolarHBondContact OD1-N 3.43Å; D135-M138 PolarHBondContact OD1-N 3.07Å; D135-M138 WeakPolarHBondContact OD2-CB 3.28Å; D135-W139 WeakPolarHBondContact O-CB 3.15Å; D135-W139 PolarHBondContact O-N 2.9Å; D135-W139 VanDerWaalsContact O-N 3.1Å
136S94.1Very high95.1Very high22 Ų2251.4 Ų51.415%0.15427%0.273CS..THydrogen-bonded Turntrans-67.6-6.4173.6-56.50000114.1D134 L249 W375D134-S136 PolarHBondContact O-N 3.02Å; S136-L249 VanDerWaalsContact CB-CD1 3.49Å; S136-L249 WeakPolarHBondContact O-CD1 3.19Å; S136-W375 WeakPolarHBondContact OG-CH2 3.4Å; S136-W375 WeakPolarHBondContact OG-CZ3 3.29Å
137T96.3Very high95.2Very high32 Ų3248.2 Ų48.220%0.19625%0.252CS..THydrogen-bonded Turntrans-93-49-174.8-56.30000111.9D135 L249 L250 E253D135-T137 PolarHBondContact O-N 3.46Å; D135-T137 VanDerWaalsContact O-N 3.13Å; D135-T137 PolarHBondContact OD1-N 3.43Å; T137-L249 HydrophobicContact CG2-CB 4.24Å; T137-L250 HydrophobicContact CG2-CB 4.21Å; T137-L250 HydrophobicContact CG2-CD1 4.3Å; T137-E253 WeakPolarHBondContact CG2-OE2 3.45Å
138M96.3Very high95.1Very high0 Ų049.2 Ų49.20%026%0.258CS..THydrogen-bonded Turntrans-96.8-22.5179.8-60.3-66.1-61.700112.5D135 T140 L250 Y284 S285 N290D135-M138 PolarHBondContact OD1-N 3.07Å; D135-M138 WeakPolarHBondContact OD2-CB 3.28Å; M138-T140 PolarHBondContact O-N 2.79Å; M138-L250 HydrophobicContact SD-CD1 3.96Å; M138-Y284 HydrophobicContact SD-CD1 3.87Å; M138-Y284 HydrophobicContact SD-CG 4.47Å; M138-S285 WeakPolarHBondContact CE-O 3.18Å; M138-N290 PolarHBondContact O-ND2 2.98Å; M138-N290 PolarHBondContact O-OD1 3.24Å
139W95Very high95Very high68 Ų6845.7 Ų45.726%0.25824%0.243SC..  trans-87.688.8170.8-172.925.2000111L132 D135 F141 A142 P143L132-W139 HydrophobicContact CD1-CB 3.93Å; L132-W139 HydrophobicContact CD1-CD2 3.65Å; L132-W139 HydrophobicContact CD1-CE3 3.86Å; L132-W139 HydrophobicContact CD1-CG 3.7Å; L132-W139 HydrophobicContact CG-CD2 4.08Å; L132-W139 HydrophobicContact CG-CE3 3.87Å; L132-W139 HydrophobicContact CG-CZ3 4.09Å; D135-W139 WeakPolarHBondContact O-CB 3.15Å; D135-W139 PolarHBondContact O-N 2.9Å; D135-W139 VanDerWaalsContact O-N 3.1Å; W139-F141 PolarHBondContact O-N 3.08Å; W139-A142 HydrophobicContact CB-CB 4.39Å; W139-A142 HydrophobicContact CD2-CB 4.05Å; W139-A142 HydrophobicContact CE3-CB 3.73Å; W139-A142 HydrophobicContact CG-CB 4.36Å; W139-A142 HydrophobicContact CZ3-CB 4.39Å; W139-A142 VanDerWaalsContact O-CB 3.32Å; W139-A142 WeakPolarHBondContact O-CB 3.15Å; W139-A142 PolarHBondContact O-N 3.2Å; W139-P143 HydrophobicContact CH2-CG 4.3Å; W139-P143 HydrophobicContact CZ3-CG 4.44Å
140T94.6Very high95Very high7 Ų742.9 Ų42.94%0.04323%0.226CC..THydrogen-bonded Turntrans-51.2-37.5-176.9-510000112.9M138 F237 R246 L289 N290 V293M138-T140 PolarHBondContact O-N 2.79Å; T140-F237 HydrophobicContact CG2-CE1 3.7Å; T140-F237 HydrophobicContact CG2-CZ 3.6Å; T140-R246 HydrophobicContact CG2-CB 4.03Å; T140-R246 WeakPolarHBondContact O-CD 3.32Å; T140-R246 PolarHBondContact O-NH1 2.78Å; T140-L289 HydrophobicContact CG2-CB 4.09Å; T140-N290 PolarHBondContact OG1-ND2 3.33Å; T140-V293 HydrophobicContact CG2-CG1 4.49Å
141F93.3Very high95Very high84 Ų8441.4 Ų41.437%0.36822%0.217SC..THydrogen-bonded Turntrans-95.225177.6-72.1-46.9000115.5W139 L236 F237 R246 L289W139-F141 PolarHBondContact O-N 3.08Å; F141-L236 HydrophobicContact CZ-CD2 4.2Å; F141-F237 HydrophobicContact CE1-CE1 4.3Å; F141-F237 HydrophobicContact CZ-CE1 4.4Å; F141-R246 VanDerWaalsContact C-NH1 3.28Å; F141-R246 VanDerWaalsContact CA-NH1 3.29Å; F141-L289 HydrophobicContact CD2-CD1 3.46Å; F141-L289 VanDerWaalsContact CD2-CD1 3.46Å; F141-L289 HydrophobicContact CE2-CD1 3.38Å; F141-L289 HydrophobicContact CE2-CD2 3.99Å; F141-L289 HydrophobicContact CE2-CG 4.34Å; F141-L289 HydrophobicContact CZ-CD1 4.37Å; F141-L289 HydrophobicContact CZ-CD2 4.39Å
142A94.6Very high95Very high3 Ų337.7 Ų37.73%0.02520%0.202CC..  trans-50.7140.7170.300000111.7W139 C144 R246 W375W139-A142 HydrophobicContact CB-CB 4.39Å; W139-A142 HydrophobicContact CD2-CB 4.05Å; W139-A142 HydrophobicContact CE3-CB 3.73Å; W139-A142 HydrophobicContact CG-CB 4.36Å; W139-A142 HydrophobicContact CZ3-CB 4.39Å; W139-A142 VanDerWaalsContact O-CB 3.32Å; W139-A142 WeakPolarHBondContact O-CB 3.15Å; W139-A142 PolarHBondContact O-N 3.2Å; A142-C144 PolarHBondContact O-N 3.4Å; A142-C144 VanDerWaalsContact O-N 3.07Å; A142-R246 PolarHBondContact O-NH1 3.33Å; A142-W375 HydrophobicContact CB-CH2 3.84Å; A142-W375 HydrophobicContact CB-CZ2 4.02Å
143P94.4Very high95.3Very high87 Ų8739.4 Ų39.457%0.56521%0.212SC*.  trans-54.6115.4-171.9-29.135.3000113.7W139 W375W139-P143 HydrophobicContact CH2-CG 4.3Å; W139-P143 HydrophobicContact CZ3-CG 4.44Å; P143-W375 WeakPolarHBondContact O-CH2 3.45Å
144C96.5Very high95.6Very high0 Ų037.2 Ų37.20%020%0.198CC..  trans-142.489.8-175.9-175.90000110.7A142 A146 A147 D148 W375 C379A142-C144 PolarHBondContact O-N 3.4Å; A142-C144 VanDerWaalsContact O-N 3.07Å; C144-A146 PolarHBondContact O-N 2.83Å; C144-A146 VanDerWaalsContact O-N 3.12Å; C144-A147 HydrophobicContact CB-CB 4.02Å; C144-A147 WeakPolarHBondContact O-CB 3.49Å; C144-A147 PolarHBondContact O-N 3.2Å; C144-D148 PolarHBondContact O-N 3.12Å; C144-W375 HydrophobicContact CB-CH2 4.1Å; C144-W375 HydrophobicContact CB-CZ2 3.78Å; C144-C379 HydrophobicContact CB-CB 3.9Å; C144-C379 WeakPolarHBondContact CB-SG 3.37Å; C144-C379 VanDerWaalsContact SG-CA 3.59Å; C144-C379 WeakPolarHBondContact SG-CB 3.48Å; C144-C379 CovalentContact SG-SG 2.04Å; C144-C379 PolarHBondContact SG-SG 3.26Å
145P96.8Very high95.8Very high39 Ų3933.2 Ų33.225%0.25318%0.177SC..Hα-helixtrans-54-35.9-176.4-28.834.9000114.2A147 D148 A149 C379P145-A147 VanDerWaalsContact C-N 3.34Å; P145-A147 PolarHBondContact O-N 2.95Å; P145-D148 PolarHBondContact O-N 2.67Å; P145-A149 WeakPolarHBondContact O-CB 3.29Å; P145-A149 PolarHBondContact O-N 2.9Å; P145-C379 WeakPolarHBondContact CD-O 3.42Å
146A97Very high95.9Very high1 Ų135 Ų351%0.00819%0.185CC..Hα-helixtrans-65-35.5177.100000113.4C144 T150 K241 L245 E378 C379 V381C144-A146 PolarHBondContact O-N 2.83Å; C144-A146 VanDerWaalsContact O-N 3.12Å; A146-T150 PolarHBondContact O-N 2.75Å; A146-T150 PolarHBondContact O-OG1 3.4Å; A146-K241 PolarHBondContact O-NZ 3.22Å; A146-L245 HydrophobicContact CB-CD1 3.9Å; A146-E378 WeakPolarHBondContact CB-O 3.18Å; A146-C379 PolarHBondContact N-O 3.23Å; A146-V381 VanDerWaalsContact CB-O 3.31Å; A146-V381 WeakPolarHBondContact CB-O 3.46Å
147A97Very high96Very high0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-74.1-44.7175.800000110.4C144 P145 A149 T150 V151 L245C144-A147 HydrophobicContact CB-CB 4.02Å; C144-A147 WeakPolarHBondContact O-CB 3.49Å; C144-A147 PolarHBondContact O-N 3.2Å; P145-A147 VanDerWaalsContact C-N 3.34Å; P145-A147 PolarHBondContact O-N 2.95Å; A147-A149 VanDerWaalsContact C-N 3.35Å; A147-A149 PolarHBondContact O-N 2.93Å; A147-T150 PolarHBondContact O-N 3Å; A147-T150 VanDerWaalsContact O-N 3.15Å; A147-V151 PolarHBondContact O-N 2.92Å; A147-L245 HydrophobicContact CB-CB 4.08Å; A147-L245 HydrophobicContact CB-CD1 3.84Å
148D95.9Very high96.1Very high57 Ų5740.2 Ų40.231%0.30521%0.206SC..Hα-helixtrans-63.1-42.1-179.7-58.3-25.4000111C144 P145 T150 V151 E152 R246 F387C144-D148 PolarHBondContact O-N 3.12Å; P145-D148 PolarHBondContact O-N 2.67Å; D148-T150 VanDerWaalsContact C-N 3.33Å; D148-T150 PolarHBondContact O-N 3.08Å; D148-V151 WeakPolarHBondContact O-CB 3.32Å; D148-V151 PolarHBondContact O-N 2.65Å; D148-E152 WeakPolarHBondContact O-CG 3.19Å; D148-E152 PolarHBondContact O-N 2.82Å; D148-R246 IonicContact OD1-CZ 3.33Å; D148-R246 IonicContact OD1-NH2 2.86Å; D148-R246 PolarHBondContact OD1-NH2 3.46Å; D148-R246 IonicContact OD2-NH2 2.63Å; D148-F387 HydrophobicContact CB-CE1 4.47Å; D148-F387 HydrophobicContact CB-CZ 4.46Å
149A96.9Very high96.1Very high12 Ų1245.8 Ų45.810%0.09924%0.243CC..Hα-helixtrans-62.6-37.2174.500000112.8P145 A147 N153 F387P145-A149 WeakPolarHBondContact O-CB 3.29Å; P145-A149 PolarHBondContact O-N 2.9Å; A147-A149 VanDerWaalsContact C-N 3.35Å; A147-A149 PolarHBondContact O-N 2.93Å; A149-N153 WeakPolarHBondContact O-CB 3.48Å; A149-N153 PolarHBondContact O-N 2.82Å; A149-N153 PolarHBondContact O-ND2 3.31Å; A149-F387 HydrophobicContact CB-CE2 4.24Å; A149-F387 HydrophobicContact CB-CZ 4.04Å
150T96.9Very high96.1Very high1 Ų144.8 Ų44.81%0.00624%0.241CC..Hα-helixtrans-69.9-36.3175.6-75.70000111.3A146 A147 D148 E154 V155 H239 K241 I242A146-T150 PolarHBondContact O-N 2.75Å; A146-T150 PolarHBondContact O-OG1 3.4Å; A147-T150 PolarHBondContact O-N 3Å; A147-T150 VanDerWaalsContact O-N 3.15Å; D148-T150 VanDerWaalsContact C-N 3.33Å; D148-T150 PolarHBondContact O-N 3.08Å; T150-E154 WeakPolarHBondContact CB-OE1 3.4Å; T150-E154 HydrophobicContact CG2-CB 4.43Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.29Å; T150-E154 WeakPolarHBondContact O-CA 3.43Å; T150-E154 VanDerWaalsContact O-CB 3.26Å; T150-E154 WeakPolarHBondContact O-CB 3.41Å; T150-E154 PolarHBondContact O-N 3Å; T150-E154 PolarHBondContact OG1-OE1 3.02Å; T150-V155 PolarHBondContact O-N 2.9Å; T150-V155 VanDerWaalsContact O-N 3.16Å; T150-H239 HydrophobicContact CG2-CB 4.42Å; T150-H239 WeakPolarHBondContact CG2-ND1 3.4Å; T150-K241 WeakPolarHBondContact OG1-CD 2.97Å; T150-K241 PolarHBondContact OG1-NZ 3.39Å; T150-I242 HydrophobicContact CG2-CD1 3.99Å; T150-I242 HydrophobicContact CG2-CG1 3.74Å
151V96Very high96.3Very high29 Ų2945 Ų4518%0.17624%0.241CC..Iπ-helixtrans-59.9-52.9171.5172.30000110.9A147 D148 V155 K156 I242A147-V151 PolarHBondContact O-N 2.92Å; D148-V151 WeakPolarHBondContact O-CB 3.32Å; D148-V151 PolarHBondContact O-N 2.65Å; V151-V155 WeakPolarHBondContact O-CB 3.38Å; V151-V155 PolarHBondContact O-N 3.28Å; V151-K156 HydrophobicContact CG1-CD 4.32Å; V151-K156 HydrophobicContact CG1-CG 4.21Å; V151-K156 PolarHBondContact O-N 3.43Å; V151-I242 HydrophobicContact CG2-CD1 3.49Å; V151-I242 VanDerWaalsContact CG2-CD1 3.49Å; V151-I242 HydrophobicContact CG2-CG1 4.46Å
152E96Very high96.5Very high70 Ų7043.4 Ų43.433%0.32724%0.238SC..Iπ-helixtrans-68.7-39.4-175.6-66.6-56.7142.800113.2D148 K156 K157D148-E152 WeakPolarHBondContact O-CG 3.19Å; D148-E152 PolarHBondContact O-N 2.82Å; E152-K156 WeakPolarHBondContact OE1-CE 3.43Å; E152-K156 IonicContact OE1-NZ 2.66Å; E152-K156 PolarHBondContact OE1-NZ 2.86Å; E152-K156 WeakPolarHBondContact OE2-CD 3.18Å; E152-K156 IonicContact OE2-NZ 3.47Å; E152-K157 WeakPolarHBondContact O-CE 3.35Å
153N96.4Very high96.6Very high82 Ų8249.1 Ų49.144%0.43926%0.259SS..Iπ-helixtrans-93.1-21.3-172.1-66.4-55.8000114.5A149 K157A149-N153 WeakPolarHBondContact O-CB 3.48Å; A149-N153 PolarHBondContact O-N 2.82Å; A149-N153 PolarHBondContact O-ND2 3.31Å; N153-K157 WeakPolarHBondContact O-CD 3.47Å; N153-K157 PolarHBondContact OD1-NZ 2.97Å
154E96.5Very high96.8Very high89 Ų8945.3 Ų45.342%0.41623%0.234SC..Iπ-helixtrans-121.4-56.6-173.1-51.9174.9-117.800110.3T150 K157 S158 H239T150-E154 WeakPolarHBondContact CB-OE1 3.4Å; T150-E154 HydrophobicContact CG2-CB 4.43Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.29Å; T150-E154 WeakPolarHBondContact O-CA 3.43Å; T150-E154 VanDerWaalsContact O-CB 3.26Å; T150-E154 WeakPolarHBondContact O-CB 3.41Å; T150-E154 PolarHBondContact O-N 3Å; T150-E154 PolarHBondContact OG1-OE1 3.02Å; E154-K157 PolarHBondContact O-N 3.07Å; E154-S158 PolarHBondContact O-N 2.68Å; E154-H239 IonicContact OE2-CE1 3.75Å; E154-H239 IonicContact OE2-NE2 2.75Å; E154-H239 PolarHBondContact OE2-NE2 3.13Å; E154-H239 VanDerWaalsContact OE2-NE2 3.16Å
155V96.6Very high96.9Very high12 Ų1247.9 Ų47.97%0.07325%0.245CC..Iπ-helixtrans-66.9-54.6-174.8-179.30000112.1T150 V151 K157 S158 Y161 F235 H239 I242T150-V155 PolarHBondContact O-N 2.9Å; T150-V155 VanDerWaalsContact O-N 3.16Å; V151-V155 WeakPolarHBondContact O-CB 3.38Å; V151-V155 PolarHBondContact O-N 3.28Å; V155-K157 PolarHBondContact O-N 3.1Å; V155-K157 VanDerWaalsContact O-N 3.15Å; V155-S158 VanDerWaalsContact O-CB 3.31Å; V155-S158 WeakPolarHBondContact O-CB 3.27Å; V155-S158 PolarHBondContact O-N 2.71Å; V155-S158 PolarHBondContact O-OG 3.13Å; V155-Y161 WeakPolarHBondContact O-CB 3.06Å; V155-F235 HydrophobicContact CG1-CB 3.81Å; V155-F235 HydrophobicContact CG1-CD1 3.99Å; V155-F235 HydrophobicContact CG1-CG 4.37Å; V155-H239 HydrophobicContact CG2-CB 4.12Å; V155-I242 HydrophobicContact CG2-CD1 3.63Å
156K97Very high96.9Very high41 Ų4153.5 Ų53.518%0.17827%0.266CS..THydrogen-bonded Turntrans-67.1-14.4-178.9-70.8-174.7175.8172.60113.7V151 E152 Y161 V162 H186V151-K156 HydrophobicContact CG1-CD 4.32Å; V151-K156 HydrophobicContact CG1-CG 4.21Å; V151-K156 PolarHBondContact O-N 3.43Å; E152-K156 WeakPolarHBondContact OE1-CE 3.43Å; E152-K156 IonicContact OE1-NZ 2.66Å; E152-K156 PolarHBondContact OE1-NZ 2.86Å; E152-K156 WeakPolarHBondContact OE2-CD 3.18Å; E152-K156 IonicContact OE2-NZ 3.47Å; K156-Y161 HydrophobicContact CB-CD1 4.26Å; K156-Y161 HydrophobicContact CB-CE1 4.13Å; K156-Y161 HydrophobicContact CG-CD1 4.47Å; K156-Y161 HydrophobicContact CG-CE1 3.98Å; K156-Y161 HydrophobicContact CG-CE2 4.12Å; K156-Y161 WeakPolarHBondContact O-CD1 3.33Å; K156-V162 WeakPolarHBondContact O-CG2 3.2Å; K156-H186 PolarHBondContact NZ-CD2 2.87Å
157K97Very high97Very high130 Ų13059.4 Ų59.457%0.56529%0.294SS*.THydrogen-bonded Turntrans-98.4-2.3175.8-60.7-170.4-166.7160.10113.2E152 N153 E154 V155E152-K157 WeakPolarHBondContact O-CE 3.35Å; N153-K157 WeakPolarHBondContact O-CD 3.47Å; N153-K157 PolarHBondContact OD1-NZ 2.97Å; E154-K157 PolarHBondContact O-N 3.07Å; V155-K157 PolarHBondContact O-N 3.1Å; V155-K157 VanDerWaalsContact O-N 3.15Å
158S96.7Very high97Very high32 Ų3260 Ų6022%0.22430%0.297CS..SBendtrans-63.1145.5176.668.10000111E154 V155 E160 Y161 V162E154-S158 PolarHBondContact O-N 2.68Å; V155-S158 VanDerWaalsContact O-CB 3.31Å; V155-S158 WeakPolarHBondContact O-CB 3.27Å; V155-S158 PolarHBondContact O-N 2.71Å; V155-S158 PolarHBondContact O-OG 3.13Å; S158-E160 PolarHBondContact O-N 2.81Å; S158-Y161 PolarHBondContact O-N 3.42Å; S158-Y161 WeakPolarHBondContact OG-CB 3.5Å; S158-Y161 PolarHBondContact OG-N 3.47Å; S158-V162 WeakPolarHBondContact O-CG2 2.95Å; S158-V162 PolarHBondContact O-N 2.79Å
159P96.8Very high97.2Very high118 Ų11859.7 Ų59.777%0.76630%0.302SS*.Hα-helixtrans-54.6-40.3-178-28.135.2000113.4R163P159-R163 VanDerWaalsContact O-CB 3.3Å; P159-R163 WeakPolarHBondContact O-CB 3.26Å; P159-R163 PolarHBondContact O-N 2.83Å
160E95.7Very high97.2Very high46 Ų4667.2 Ų67.222%0.21534%0.335CS..Hα-helixtrans-69.3-44.8-178.8-174.258.4-151.300112.3S158 V162 R163 L164 F235 T304S158-E160 PolarHBondContact O-N 2.81Å; E160-V162 PolarHBondContact O-N 3.48Å; E160-R163 WeakPolarHBondContact O-CB 3.5Å; E160-R163 PolarHBondContact O-N 2.77Å; E160-R163 IonicContact OE1-CZ 3.12Å; E160-R163 IonicContact OE1-NE 3.16Å; E160-R163 PolarHBondContact OE1-NE 3.23Å; E160-R163 IonicContact OE1-NH2 3.9Å; E160-R163 PolarHBondContact OE1-NH2 3.42Å; E160-R163 IonicContact OE2-CZ 3.61Å; E160-R163 IonicContact OE2-NE 2.68Å; E160-R163 PolarHBondContact OE2-NE 3.43Å; E160-R163 VanDerWaalsContact OE2-NE 3.12Å; E160-R163 IonicContact OE2-NH2 3.57Å; E160-R163 PolarHBondContact OE2-NH2 2.9Å; E160-L164 HydrophobicContact CG-CD1 4.37Å; E160-L164 PolarHBondContact O-N 2.87Å; E160-F235 HydrophobicContact CB-CE1 4.37Å; E160-F235 HydrophobicContact CB-CZ 4.11Å; E160-F235 HydrophobicContact CG-CE1 4.44Å; E160-F235 HydrophobicContact CG-CZ 3.71Å; E160-T304 HydrophobicContact CB-CG2 4.45Å; E160-T304 HydrophobicContact CG-CG2 4.15Å
161Y97.6Very high97.3Very high13 Ų1368.9 Ų68.95%0.05134%0.344CS..Hα-helixtrans-60.8-47.5176.1-171.5-72.9000110.8V155 K156 S158 R163 L164 E165 F185 H186 F235V155-Y161 WeakPolarHBondContact O-CB 3.06Å; K156-Y161 HydrophobicContact CB-CD1 4.26Å; K156-Y161 HydrophobicContact CB-CE1 4.13Å; K156-Y161 HydrophobicContact CG-CD1 4.47Å; K156-Y161 HydrophobicContact CG-CE1 3.98Å; K156-Y161 HydrophobicContact CG-CE2 4.12Å; K156-Y161 WeakPolarHBondContact O-CD1 3.33Å; S158-Y161 PolarHBondContact O-N 3.42Å; S158-Y161 WeakPolarHBondContact OG-CB 3.5Å; S158-Y161 PolarHBondContact OG-N 3.47Å; Y161-R163 VanDerWaalsContact C-N 3.28Å; Y161-R163 PolarHBondContact O-N 2.78Å; Y161-L164 PolarHBondContact O-N 3.32Å; Y161-E165 HydrophobicContact CE1-CB 4.48Å; Y161-E165 WeakPolarHBondContact O-CB 3.37Å; Y161-E165 PolarHBondContact O-N 2.88Å; Y161-F185 HydrophobicContact CD1-CD1 4.3Å; Y161-F185 AromaticContact CD2-CD1 3.85Å; Y161-F185 HydrophobicContact CD2-CD1 3.85Å; Y161-F185 AromaticContact CD2-CE1 3.86Å; Y161-F185 HydrophobicContact CD2-CE1 3.86Å; Y161-F185 AromaticContact CE1-CD1 3.98Å; Y161-F185 HydrophobicContact CE1-CD1 3.98Å; Y161-F185 AromaticContact CE2-CD1 3.54Å; Y161-F185 HydrophobicContact CE2-CD1 3.54Å; Y161-F185 AromaticContact CE2-CE1 3.89Å; Y161-F185 HydrophobicContact CE2-CE1 3.89Å; Y161-F185 HydrophobicContact CG-CD1 4.21Å; Y161-F185 HydrophobicContact CG-CE1 4.37Å; Y161-F185 AromaticContact CZ-CD1 3.57Å; Y161-H186 WeakPolarHBondContact OH-CA 3.24Å; Y161-H186 VanDerWaalsContact OH-CB 3.27Å; Y161-H186 WeakPolarHBondContact OH-CB 3.43Å; Y161-H186 PolarHBondContact OH-N 3.45Å; Y161-F235 HydrophobicContact CD2-CB 4.18Å; Y161-F235 AromaticContact CD2-CD1 3.9Å; Y161-F235 HydrophobicContact CD2-CD1 3.9Å; Y161-F235 HydrophobicContact CD2-CD2 4.23Å; Y161-F235 HydrophobicContact CD2-CE1 4.39Å; Y161-F235 AromaticContact CD2-CG 3.82Å; Y161-F235 HydrophobicContact CD2-CG 3.82Å
162V98Very high97.4Very high50 Ų5067.9 Ų67.930%0.30334%0.337SS..Hα-helixtrans-62.9-36.7179.3172.70000111.3K156 S158 E160 K166K156-V162 WeakPolarHBondContact O-CG2 3.2Å; S158-V162 WeakPolarHBondContact O-CG2 2.95Å; S158-V162 PolarHBondContact O-N 2.79Å; E160-V162 PolarHBondContact O-N 3.48Å; V162-K166 HydrophobicContact CG1-CD 4Å; V162-K166 HydrophobicContact CG1-CG 4.45Å; V162-K166 WeakPolarHBondContact O-CB 3.15Å; V162-K166 VanDerWaalsContact O-CG 3.29Å; V162-K166 WeakPolarHBondContact O-CG 3.24Å; V162-K166 PolarHBondContact O-N 2.81Å
163R97.9Very high97.6Very high122 Ų12270.7 Ų70.746%0.4635%0.35SS..Hα-helixtrans-61.3-54.5174.7-179.9179.874.1151.65.1110.9P159 E160 Y161 E165 K166 E167P159-R163 VanDerWaalsContact O-CB 3.3Å; P159-R163 WeakPolarHBondContact O-CB 3.26Å; P159-R163 PolarHBondContact O-N 2.83Å; E160-R163 WeakPolarHBondContact O-CB 3.5Å; E160-R163 PolarHBondContact O-N 2.77Å; E160-R163 IonicContact OE1-CZ 3.12Å; E160-R163 IonicContact OE1-NE 3.16Å; E160-R163 PolarHBondContact OE1-NE 3.23Å; E160-R163 IonicContact OE1-NH2 3.9Å; E160-R163 PolarHBondContact OE1-NH2 3.42Å; E160-R163 IonicContact OE2-CZ 3.61Å; E160-R163 IonicContact OE2-NE 2.68Å; E160-R163 PolarHBondContact OE2-NE 3.43Å; E160-R163 VanDerWaalsContact OE2-NE 3.12Å; E160-R163 IonicContact OE2-NH2 3.57Å; E160-R163 PolarHBondContact OE2-NH2 2.9Å; Y161-R163 VanDerWaalsContact C-N 3.28Å; Y161-R163 PolarHBondContact O-N 2.78Å; R163-E165 VanDerWaalsContact C-N 3.34Å; R163-E165 PolarHBondContact O-N 2.86Å; R163-K166 PolarHBondContact O-N 3.08Å; R163-E167 WeakPolarHBondContact CD-OE1 3.41Å; R163-E167 VanDerWaalsContact CG-CD 3.48Å; R163-E167 HydrophobicContact CG-CG 4.18Å; R163-E167 WeakPolarHBondContact CG-OE1 3.49Å; R163-E167 WeakPolarHBondContact O-CB 3.39Å; R163-E167 WeakPolarHBondContact O-CG 3.37Å; R163-E167 PolarHBondContact O-N 3Å
164L97.4Very high97.7Very high8 Ų871.2 Ų71.24%0.04235%0.346CS..Hα-helixtrans-61.5-40.1-179.1-70.8168.6000112.3E160 Y161 N168 F185 A231 F235E160-L164 HydrophobicContact CG-CD1 4.37Å; E160-L164 PolarHBondContact O-N 2.87Å; Y161-L164 PolarHBondContact O-N 3.32Å; L164-N168 PolarHBondContact O-N 3.29Å; L164-N168 PolarHBondContact O-ND2 2.66Å; L164-F185 HydrophobicContact CB-CD1 4.3Å; L164-F185 HydrophobicContact CB-CE1 4.01Å; L164-F185 HydrophobicContact CB-CE2 4.21Å; L164-F185 HydrophobicContact CB-CZ 3.95Å; L164-F185 HydrophobicContact CD1-CE1 3.94Å; L164-F185 HydrophobicContact CD1-CE2 4.31Å; L164-F185 HydrophobicContact CD1-CZ 3.54Å; L164-F185 HydrophobicContact CG-CZ 4.35Å; L164-A231 HydrophobicContact CD1-CB 4.45Å; L164-F235 HydrophobicContact CD1-CE2 3.95Å; L164-F235 HydrophobicContact CD1-CZ 4.31Å
165E98Very high97.8Very high53 Ų5367 Ų6725%0.24833%0.326CS..Hα-helixtrans-61.2-47174.7-171.682.3-125.500111.2Y161 R163 A169 S184 F185Y161-E165 HydrophobicContact CE1-CB 4.48Å; Y161-E165 WeakPolarHBondContact O-CB 3.37Å; Y161-E165 PolarHBondContact O-N 2.88Å; R163-E165 VanDerWaalsContact C-N 3.34Å; R163-E165 PolarHBondContact O-N 2.86Å; E165-A169 PolarHBondContact O-N 3.29Å; E165-S184 WeakPolarHBondContact OE1-CA 3.46Å; E165-S184 WeakPolarHBondContact OE1-CB 3.29Å; E165-F185 HydrophobicContact CB-CB 4.34Å; E165-F185 PolarHBondContact OE1-N 3.06Å; E165-F185 WeakPolarHBondContact OE2-CB 3.35Å; E165-F185 PolarHBondContact OE2-N 3.01Å
166K98.3Very high97.8Very high157 Ų15768.3 Ų68.368%0.68333%0.334SS*.Hα-helixtrans-69.4-44.9-178.4-76.6179.8178.1-179.20113.3V162 R163 N168 A169V162-K166 HydrophobicContact CG1-CD 4Å; V162-K166 HydrophobicContact CG1-CG 4.45Å; V162-K166 WeakPolarHBondContact O-CB 3.15Å; V162-K166 VanDerWaalsContact O-CG 3.29Å; V162-K166 WeakPolarHBondContact O-CG 3.24Å; V162-K166 PolarHBondContact O-N 2.81Å; R163-K166 PolarHBondContact O-N 3.08Å; K166-N168 PolarHBondContact O-N 2.84Å; K166-A169 WeakPolarHBondContact O-CB 3.37Å; K166-A169 PolarHBondContact O-N 3.2Å
167E98.1Very high97.9Very high126 Ų12672.5 Ų72.559%0.58936%0.359SS*.Hα-helixtrans-62.5-25.2-179.1-74.5175.917800112.4R163R163-E167 WeakPolarHBondContact CD-OE1 3.41Å; R163-E167 VanDerWaalsContact CG-CD 3.48Å; R163-E167 HydrophobicContact CG-CG 4.18Å; R163-E167 WeakPolarHBondContact CG-OE1 3.49Å; R163-E167 WeakPolarHBondContact O-CB 3.39Å; R163-E167 WeakPolarHBondContact O-CG 3.37Å; R163-E167 PolarHBondContact O-N 3Å
168N98.4Very high97.9Very high13 Ų1370.4 Ų70.47%0.0735%0.35CS..THydrogen-bonded Turntrans-110.19.7-178.4-59.7-86.5000113.2L164 K166 Q170 L171 F172 K224 L228L164-N168 PolarHBondContact O-N 3.29Å; L164-N168 PolarHBondContact O-ND2 2.66Å; K166-N168 PolarHBondContact O-N 2.84Å; N168-Q170 VanDerWaalsContact C-N 3.33Å; N168-Q170 PolarHBondContact O-N 2.94Å; N168-L171 WeakPolarHBondContact O-CB 3.41Å; N168-L171 PolarHBondContact O-N 2.93Å; N168-F172 HydrophobicContact CB-CD2 4.22Å; N168-F172 HydrophobicContact CB-CE1 4.41Å; N168-F172 HydrophobicContact CB-CE2 3.6Å; N168-F172 HydrophobicContact CB-CZ 3.71Å; N168-F172 VanDerWaalsContact O-CD2 3.3Å; N168-F172 WeakPolarHBondContact O-CD2 3.45Å; N168-F172 WeakPolarHBondContact O-CG 3.38Å; N168-F172 PolarHBondContact O-N 3.02Å; N168-K224 WeakPolarHBondContact OD1-CE 3.43Å; N168-K224 PolarHBondContact OD1-NZ 3.4Å; N168-L228 HydrophobicContact CB-CD1 4.2Å; N168-L228 HydrophobicContact CB-CD2 4.23Å
169A98.5Very high98Very high50 Ų5068.9 Ų68.941%0.41334%0.339SS..Hα-helixtrans-56.3-41.8-175.300000113.6E165 K166 L171 F172 E173E165-A169 PolarHBondContact O-N 3.29Å; K166-A169 WeakPolarHBondContact O-CB 3.37Å; K166-A169 PolarHBondContact O-N 3.2Å; A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 2.68Å; A169-F172 PolarHBondContact O-N 3.45Å; A169-E173 PolarHBondContact O-N 2.84Å
170Q98.3Very high97.9Very high169 Ų16966 Ų6679%0.7933%0.331SS*.Hα-helixtrans-63.7-38.7177.5-69.6-177.7-10.100112.3N168 W174N168-Q170 VanDerWaalsContact C-N 3.33Å; N168-Q170 PolarHBondContact O-N 2.94Å; Q170-W174 WeakPolarHBondContact O-CB 3.32Å; Q170-W174 PolarHBondContact O-N 2.85Å
171L98.3Very high97.9Very high36 Ų3665.9 Ų65.919%0.18833%0.33CS..Hα-helixtrans-66.6-42.2175.1176.365.3000110.8N168 A169 E173 W174 L175 K224 L228N168-L171 WeakPolarHBondContact O-CB 3.41Å; N168-L171 PolarHBondContact O-N 2.93Å; A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 2.68Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 2.99Å; L171-W174 HydrophobicContact CD1-CE3 4.04Å; L171-W174 PolarHBondContact O-N 3.06Å; L171-L175 HydrophobicContact CD1-CD1 4.28Å; L171-L175 HydrophobicContact CD1-CG 4.14Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.28Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.35Å; L171-L175 PolarHBondContact O-N 2.93Å; L171-K224 HydrophobicContact CD2-CD 4.45Å; L171-K224 HydrophobicContact CD2-CG 3.51Å; L171-L228 HydrophobicContact CD2-CD1 3.57Å
172F98.6Very high97.9Very high8 Ų872.3 Ų72.34%0.03536%0.362CS..Hα-helixtrans-64.6-37.9178-62.6-39.5000112.6N168 A169 L175 T176 V183 F185 V188 L228N168-F172 HydrophobicContact CB-CD2 4.22Å; N168-F172 HydrophobicContact CB-CE1 4.41Å; N168-F172 HydrophobicContact CB-CE2 3.6Å; N168-F172 HydrophobicContact CB-CZ 3.71Å; N168-F172 VanDerWaalsContact O-CD2 3.3Å; N168-F172 WeakPolarHBondContact O-CD2 3.45Å; N168-F172 WeakPolarHBondContact O-CG 3.38Å; N168-F172 PolarHBondContact O-N 3.02Å; A169-F172 PolarHBondContact O-N 3.45Å; F172-L175 HydrophobicContact CD1-CD1 4.49Å; F172-L175 PolarHBondContact O-N 3.19Å; F172-T176 WeakPolarHBondContact O-CB 3.17Å; F172-T176 PolarHBondContact O-N 3.47Å; F172-T176 PolarHBondContact O-OG1 3.01Å; F172-V183 HydrophobicContact CD1-CG1 3.92Å; F172-F185 HydrophobicContact CE2-CB 3.93Å; F172-F185 HydrophobicContact CZ-CB 3.81Å; F172-F185 HydrophobicContact CZ-CD2 4.21Å; F172-F185 HydrophobicContact CZ-CG 4.5Å; F172-V188 HydrophobicContact CE1-CB 4.49Å; F172-L228 HydrophobicContact CE1-CD1 3.79Å; F172-L228 HydrophobicContact CZ-CD1 4.04Å; F172-L228 HydrophobicContact CZ-CD2 4.45Å
173E98.6Very high97.9Very high129 Ų12970.3 Ų70.360%0.60335%0.35SS*.Hα-helixtrans-63-46171.3-176.8176-161.400111.2A169 L171 L175 T176 N177A169-E173 PolarHBondContact O-N 2.84Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-E173 PolarHBondContact O-N 2.99Å; E173-L175 PolarHBondContact O-N 2.93Å; E173-T176 WeakPolarHBondContact O-CB 3.17Å; E173-T176 PolarHBondContact O-N 3.23Å; E173-N177 PolarHBondContact O-N 2.97Å; E173-N177 VanDerWaalsContact O-N 3.09Å; E173-N177 PolarHBondContact O-ND2 2.95Å
174W98.6Very high98Very high94 Ų9465.9 Ų65.936%0.35634%0.338SS..Hα-helixtrans-61-45.8176.4-178.590.2000112.3Q170 L171 T176 N177 K178 W216 V221Q170-W174 WeakPolarHBondContact O-CB 3.32Å; Q170-W174 PolarHBondContact O-N 2.85Å; L171-W174 HydrophobicContact CD1-CE3 4.04Å; L171-W174 PolarHBondContact O-N 3.06Å; W174-T176 VanDerWaalsContact C-N 3.3Å; W174-T176 PolarHBondContact O-N 2.92Å; W174-N177 PolarHBondContact O-N 2.66Å; W174-K178 HydrophobicContact CD2-CG 3.95Å; W174-K178 HydrophobicContact CE3-CG 4.09Å; W174-K178 HydrophobicContact CH2-CG 4.01Å; W174-K178 HydrophobicContact CZ2-CD 4.24Å; W174-K178 VanDerWaalsContact CZ2-CE 3.49Å; W174-K178 HydrophobicContact CZ2-CG 3.85Å; W174-K178 HydrophobicContact CZ3-CG 4.12Å; W174-K178 WeakPolarHBondContact O-CG 3.33Å; W174-K178 PolarHBondContact O-N 2.85Å; W174-W216 HydrophobicContact CH2-CB 4.13Å; W174-W216 HydrophobicContact CH2-CD2 4.39Å; W174-W216 AromaticContact CH2-CE3 3.71Å; W174-W216 HydrophobicContact CH2-CE3 3.71Å; W174-W216 HydrophobicContact CZ2-CB 4.36Å; W174-W216 AromaticContact CZ3-CE3 3.81Å; W174-W216 HydrophobicContact CZ3-CE3 3.81Å; W174-W216 HydrophobicContact CZ3-CZ3 4.23Å; W174-V221 HydrophobicContact CH2-CG1 4.21Å; W174-V221 HydrophobicContact CH2-CG2 4.1Å; W174-V221 HydrophobicContact CZ3-CG1 3.95Å; W174-V221 HydrophobicContact CZ3-CG2 4.36Å
175L98.5Very high98Very high0 Ų065.5 Ų65.50%034%0.336CS..Hα-helixtrans-63.2-37175.3-72.3173.4000111.4L171 F172 E173 N177 K178 T179 V183 W216 I225L171-L175 HydrophobicContact CD1-CD1 4.28Å; L171-L175 HydrophobicContact CD1-CG 4.14Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.28Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.35Å; L171-L175 PolarHBondContact O-N 2.93Å; F172-L175 HydrophobicContact CD1-CD1 4.49Å; F172-L175 PolarHBondContact O-N 3.19Å; E173-L175 PolarHBondContact O-N 2.93Å; L175-N177 VanDerWaalsContact C-N 3.31Å; L175-N177 PolarHBondContact O-N 2.86Å; L175-K178 PolarHBondContact O-N 3.35Å; L175-T179 VanDerWaalsContact O-CB 3.24Å; L175-T179 WeakPolarHBondContact O-CB 3.47Å; L175-T179 WeakPolarHBondContact O-CG2 3.28Å; L175-T179 PolarHBondContact O-N 3.38Å; L175-T179 PolarHBondContact O-OG1 3.01Å; L175-V183 HydrophobicContact CB-CB 4.06Å; L175-V183 HydrophobicContact CB-CG1 4.13Å; L175-V183 HydrophobicContact CB-CG2 3.95Å; L175-V183 HydrophobicContact CD1-CG1 4.06Å; L175-W216 HydrophobicContact CD2-CE3 4.49Å; L175-W216 HydrophobicContact CD2-CH2 4.2Å; L175-W216 HydrophobicContact CD2-CZ3 3.71Å; L175-I225 HydrophobicContact CD1-CD1 4.47Å; L175-I225 HydrophobicContact CD1-CG1 4.16Å; L175-I225 HydrophobicContact CD2-CD1 3.86Å; L175-I225 HydrophobicContact CD2-CG1 4.39Å
176T98.5Very high97.9Very high40 Ų4065.3 Ų65.325%0.24534%0.335CS..Hα-helixtrans-58.5-46.7175.6-64.50000110.9F172 E173 W174 G180 K181 V183F172-T176 WeakPolarHBondContact O-CB 3.17Å; F172-T176 PolarHBondContact O-N 3.47Å; F172-T176 PolarHBondContact O-OG1 3.01Å; E173-T176 WeakPolarHBondContact O-CB 3.17Å; E173-T176 PolarHBondContact O-N 3.23Å; W174-T176 VanDerWaalsContact C-N 3.3Å; W174-T176 PolarHBondContact O-N 2.92Å; T176-G180 PolarHBondContact O-N 3Å; T176-G180 VanDerWaalsContact O-N 3.08Å; T176-K181 VanDerWaalsContact CA-O 3.27Å; T176-K181 WeakPolarHBondContact CA-O 3.39Å; T176-V183 PolarHBondContact OG1-N 2.71Å
177N98.2Very high97.8Very high129 Ų12959.4 Ų59.469%0.6931%0.311SS*.Hα-helixtrans-65.5-38.1176.4-68.6-29.7000112.6E173 W174 L175E173-N177 PolarHBondContact O-N 2.97Å; E173-N177 VanDerWaalsContact O-N 3.09Å; E173-N177 PolarHBondContact O-ND2 2.95Å; W174-N177 PolarHBondContact O-N 2.66Å; L175-N177 VanDerWaalsContact C-N 3.31Å; L175-N177 PolarHBondContact O-N 2.86Å
178K97.9Very high97.8Very high85 Ų8553.4 Ų53.437%0.3728%0.283SS..Hα-helixtrans-74.2-33.6-179.9-70.8-60.7-174179.70113.9S32 W174 L175 W216S32-K178 VanDerWaalsContact CB-O 3.27Å; S32-K178 WeakPolarHBondContact CB-O 3.31Å; S32-K178 PolarHBondContact OG-O 2.86Å; W174-K178 HydrophobicContact CD2-CG 3.95Å; W174-K178 HydrophobicContact CE3-CG 4.09Å; W174-K178 HydrophobicContact CH2-CG 4.01Å; W174-K178 HydrophobicContact CZ2-CD 4.24Å; W174-K178 VanDerWaalsContact CZ2-CE 3.49Å; W174-K178 HydrophobicContact CZ2-CG 3.85Å; W174-K178 HydrophobicContact CZ3-CG 4.12Å; W174-K178 WeakPolarHBondContact O-CG 3.33Å; W174-K178 PolarHBondContact O-N 2.85Å; L175-K178 PolarHBondContact O-N 3.35Å; K178-W216 HydrophobicContact CB-CD2 4.02Å; K178-W216 HydrophobicContact CB-CE3 4.45Å; K178-W216 HydrophobicContact CB-CG 4.25Å; K178-W216 HydrophobicContact CD-CB 3.99Å; K178-W216 HydrophobicContact CD-CG 3.96Å; K178-W216 HydrophobicContact CG-CB 4.45Å; K178-W216 HydrophobicContact CG-CD2 4.27Å; K178-W216 HydrophobicContact CG-CG 4.18Å
179T97.3Very high97.7Very high0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-99.8-18.6-168.963.50000113.2I30 P31 S32 L175 K181 I191 W216I30-T179 HydrophobicContact CG2-CG2 3.95Å; P31-T179 VanDerWaalsContact CD-O 3.25Å; P31-T179 WeakPolarHBondContact CD-O 3.19Å; S32-T179 PolarHBondContact N-O 2.98Å; S32-T179 VanDerWaalsContact N-O 3.07Å; S32-T179 VanDerWaalsContact OG-CA 3.24Å; S32-T179 WeakPolarHBondContact OG-CA 3.39Å; S32-T179 PolarHBondContact OG-O 3Å; L175-T179 VanDerWaalsContact O-CB 3.24Å; L175-T179 WeakPolarHBondContact O-CB 3.47Å; L175-T179 WeakPolarHBondContact O-CG2 3.28Å; L175-T179 PolarHBondContact O-N 3.38Å; L175-T179 PolarHBondContact O-OG1 3.01Å; T179-K181 VanDerWaalsContact C-N 3.28Å; T179-K181 PolarHBondContact OG1-O 3.45Å; T179-I191 HydrophobicContact CG2-CD1 3.35Å; T179-I191 HydrophobicContact CG2-CG1 3.97Å; T179-I191 HydrophobicContact CG2-CG2 4.37Å; T179-W216 HydrophobicContact CG2-CH2 4Å; T179-W216 HydrophobicContact CG2-CZ2 3.93Å
180G96.2Very high97.6Very high59 Ų5955 Ų5561%0.60828%0.278SS*.THydrogen-bonded Turntrans74.816.5-176.400000113.7T176T176-G180 PolarHBondContact O-N 3Å; T176-G180 VanDerWaalsContact O-N 3.08Å
181K95.6Very high97.5Very high42 Ų4247 Ų4718%0.18324%0.241CC..SBendtrans-139.6150.2173.674.5-170.5-157-165.30110.6P31 T176 T179 V183 S190 I191P31-K181 HydrophobicContact CG-CB 4.26Å; P31-K181 HydrophobicContact CG-CD 4.28Å; T176-K181 VanDerWaalsContact CA-O 3.27Å; T176-K181 WeakPolarHBondContact CA-O 3.39Å; T179-K181 VanDerWaalsContact C-N 3.28Å; T179-K181 PolarHBondContact OG1-O 3.45Å; K181-V183 HydrophobicContact CG-CG2 4.28Å; K181-V183 WeakPolarHBondContact O-CG2 3.35Å; K181-V183 PolarHBondContact O-N 3.03Å; K181-S190 WeakPolarHBondContact CE-OG 3.45Å; K181-S190 PolarHBondContact NZ-O 3.46Å; K181-S190 PolarHBondContact NZ-OG 3.49Å; K181-I191 HydrophobicContact CD-CD1 4.1Å; K181-I191 HydrophobicContact CG-CD1 4.48Å
182M97.6Very high97.5Very high148 Ų14845.3 Ų45.373%0.72923%0.232SC*.  trans-62.6119175.4-176.3175.360.100110.1N187M182-N187 PolarHBondContact O-ND2 3.03Å
183V98Very high97.4Very high9 Ų945.4 Ų45.46%0.05523%0.233CC..  trans-104.9141.3176.9-176.50000109.5F172 L175 T176 K181 N187 I191F172-V183 HydrophobicContact CD1-CG1 3.92Å; L175-V183 HydrophobicContact CB-CB 4.06Å; L175-V183 HydrophobicContact CB-CG1 4.13Å; L175-V183 HydrophobicContact CB-CG2 3.95Å; L175-V183 HydrophobicContact CD1-CG1 4.06Å; T176-V183 PolarHBondContact OG1-N 2.71Å; K181-V183 HydrophobicContact CG-CG2 4.28Å; K181-V183 WeakPolarHBondContact O-CG2 3.35Å; K181-V183 PolarHBondContact O-N 3.03Å; V183-N187 VanDerWaalsContact CA-OD1 3.3Å; V183-N187 WeakPolarHBondContact CA-OD1 3.13Å; V183-I191 HydrophobicContact CG2-CG1 4.11Å
184S98.2Very high97.3Very high29 Ų2939.4 Ų39.420%0.20321%0.205CC..  trans-146.6173.617565.10000110E165 H186 N187 V188E165-S184 WeakPolarHBondContact OE1-CA 3.46Å; E165-S184 WeakPolarHBondContact OE1-CB 3.29Å; S184-H186 PolarHBondContact O-N 3.43Å; S184-H186 PolarHBondContact OG-N 3.3Å; S184-N187 PolarHBondContact N-OD1 3.09Å; S184-N187 PolarHBondContact O-N 3.36Å; S184-N187 PolarHBondContact O-OD1 2.79Å; S184-V188 PolarHBondContact O-N 3.27Å
185F98.1Very high97.2Very high0 Ų034.9 Ų34.90%019%0.188CC..THydrogen-bonded Turntrans-57.5-34.1174.6-172.9-129.9000111.9Y161 L164 E165 F172 N187 L228 A231 S232 F235Y161-F185 HydrophobicContact CD1-CD1 4.3Å; Y161-F185 AromaticContact CD2-CD1 3.85Å; Y161-F185 HydrophobicContact CD2-CD1 3.85Å; Y161-F185 AromaticContact CD2-CE1 3.86Å; Y161-F185 HydrophobicContact CD2-CE1 3.86Å; Y161-F185 AromaticContact CE1-CD1 3.98Å; Y161-F185 HydrophobicContact CE1-CD1 3.98Å; Y161-F185 AromaticContact CE2-CD1 3.54Å; Y161-F185 HydrophobicContact CE2-CD1 3.54Å; Y161-F185 AromaticContact CE2-CE1 3.89Å; Y161-F185 HydrophobicContact CE2-CE1 3.89Å; Y161-F185 HydrophobicContact CG-CD1 4.21Å; Y161-F185 HydrophobicContact CG-CE1 4.37Å; Y161-F185 AromaticContact CZ-CD1 3.57Å; L164-F185 HydrophobicContact CB-CD1 4.3Å; L164-F185 HydrophobicContact CB-CE1 4.01Å; L164-F185 HydrophobicContact CB-CE2 4.21Å; L164-F185 HydrophobicContact CB-CZ 3.95Å; L164-F185 HydrophobicContact CD1-CE1 3.94Å; L164-F185 HydrophobicContact CD1-CE2 4.31Å; L164-F185 HydrophobicContact CD1-CZ 3.54Å; L164-F185 HydrophobicContact CG-CZ 4.35Å; E165-F185 HydrophobicContact CB-CB 4.34Å; E165-F185 PolarHBondContact OE1-N 3.06Å; E165-F185 WeakPolarHBondContact OE2-CB 3.35Å; E165-F185 PolarHBondContact OE2-N 3.01Å; F172-F185 HydrophobicContact CE2-CB 3.93Å; F172-F185 HydrophobicContact CZ-CB 3.81Å; F172-F185 HydrophobicContact CZ-CD2 4.21Å; F172-F185 HydrophobicContact CZ-CG 4.5Å; F185-N187 PolarHBondContact O-N 2.64Å; F185-L228 HydrophobicContact CD2-CD2 4.31Å; F185-L228 HydrophobicContact CE2-CD2 4.3Å; F185-L228 WeakPolarHBondContact CE2-O 3.36Å; F185-A231 HydrophobicContact CE2-CB 3.78Å; F185-A231 VanDerWaalsContact CZ-C 3.43Å; F185-A231 HydrophobicContact CZ-CB 3.85Å; F185-S232 VanDerWaalsContact CZ-CA 3.46Å; F185-S232 VanDerWaalsContact CZ-N 3.32Å; F185-S232 VanDerWaalsContact O-CB 3.24Å; F185-S232 WeakPolarHBondContact O-CB 3.47Å; F185-F235 AromaticContact CE1-CD2 3.9Å; F185-F235 HydrophobicContact CE1-CD2 3.9Å; F185-F235 AromaticContact CE1-CE2 3.95Å; F185-F235 HydrophobicContact CE1-CE2 3.95Å; F185-F235 HydrophobicContact CZ-CD2 4.23Å; F185-F235 HydrophobicContact CZ-CE2 4.14Å
186H95.9Very high97.1Very high48 Ų4836.5 Ų36.522%0.22220%0.196CC..THydrogen-bonded Turntrans-65.5-37.9-179.8-176.850.4000113.6K156 Y161 S184 F392K156-H186 PolarHBondContact NZ-CD2 2.87Å; Y161-H186 WeakPolarHBondContact OH-CA 3.24Å; Y161-H186 VanDerWaalsContact OH-CB 3.27Å; Y161-H186 WeakPolarHBondContact OH-CB 3.43Å; Y161-H186 PolarHBondContact OH-N 3.45Å; S184-H186 PolarHBondContact O-N 3.43Å; S184-H186 PolarHBondContact OG-N 3.3Å; H186-F392 AromaticContact NE2-CZ 3.45Å; H186-F392 WeakPolarHBondContact NE2-CZ 3.38Å
187N96.5Very high97Very high34 Ų3434.6 Ų34.618%0.18218%0.184CC..THydrogen-bonded Turntrans-1167-167.577.23.8000113.5M182 V183 S184 F185 W189 S190M182-N187 PolarHBondContact O-ND2 3.03Å; V183-N187 VanDerWaalsContact CA-OD1 3.3Å; V183-N187 WeakPolarHBondContact CA-OD1 3.13Å; S184-N187 PolarHBondContact N-OD1 3.09Å; S184-N187 PolarHBondContact O-N 3.36Å; S184-N187 PolarHBondContact O-OD1 2.79Å; F185-N187 PolarHBondContact O-N 2.64Å; N187-W189 PolarHBondContact O-N 3.13Å; N187-W189 VanDerWaalsContact O-N 3.1Å; N187-S190 WeakPolarHBondContact O-CB 3.09Å; N187-S190 PolarHBondContact O-N 2.91Å; N187-S190 PolarHBondContact O-OG 2.91Å
188V97.7Very high96.8Very high0 Ų029 Ų290%015%0.154CC..THydrogen-bonded Turntrans-54.9-29.817865.80000112.8F172 S184 S190 I191 D192 I225 L228 H229F172-V188 HydrophobicContact CE1-CB 4.49Å; S184-V188 PolarHBondContact O-N 3.27Å; V188-S190 PolarHBondContact O-N 2.52Å; V188-I191 PolarHBondContact O-N 2.96Å; V188-D192 PolarHBondContact O-N 2.89Å; V188-I225 HydrophobicContact CG2-CG2 4.01Å; V188-L228 HydrophobicContact CG1-CB 4.15Å; V188-L228 HydrophobicContact CG2-CB 4.25Å; V188-H229 HydrophobicContact CG1-CB 4.25Å
189W96.4Very high96.6Very high90 Ų9030.2 Ų30.234%0.34116%0.156SC..Hα-helixtrans-49.8-29.7171.173.4-97.3000113.3N187 I191 D192 D193 H229N187-W189 PolarHBondContact O-N 3.13Å; N187-W189 VanDerWaalsContact O-N 3.1Å; W189-I191 PolarHBondContact O-N 3.05Å; W189-D192 PolarHBondContact O-N 3Å; W189-D193 WeakPolarHBondContact O-CB 3.36Å; W189-D193 PolarHBondContact O-N 3.34Å; W189-H229 WeakPolarHBondContact CB-CD2 3.17Å; W189-H229 VanDerWaalsContact CB-NE2 3.28Å; W189-H229 WeakPolarHBondContact CB-NE2 3.41Å
190S96.6Very high96.3Very high6 Ų634.1 Ų34.14%0.04217%0.174CC..Hα-helixtrans-75.9-13.6-177.571.90000113.9K181 N187 V188K181-S190 WeakPolarHBondContact CE-OG 3.45Å; K181-S190 PolarHBondContact NZ-O 3.46Å; K181-S190 PolarHBondContact NZ-OG 3.49Å; N187-S190 WeakPolarHBondContact O-CB 3.09Å; N187-S190 PolarHBondContact O-N 2.91Å; N187-S190 PolarHBondContact O-OG 2.91Å; V188-S190 PolarHBondContact O-N 2.52Å
191I97.2Very high96Very high0 Ų031.8 Ų31.80%015%0.15CC..Hα-helixtrans-98.8-41.2168.5-61-57.8000109.1I30 T179 K181 V183 V188 W189 P194 L195 W216 I225I30-I191 HydrophobicContact CD1-CD1 4.43Å; I30-I191 HydrophobicContact CD1-CG2 4.12Å; I30-I191 HydrophobicContact CG1-CD1 3.97Å; I30-I191 HydrophobicContact CG2-CD1 4.27Å; T179-I191 HydrophobicContact CG2-CD1 3.35Å; T179-I191 HydrophobicContact CG2-CG1 3.97Å; T179-I191 HydrophobicContact CG2-CG2 4.37Å; K181-I191 HydrophobicContact CD-CD1 4.1Å; K181-I191 HydrophobicContact CG-CD1 4.48Å; V183-I191 HydrophobicContact CG2-CG1 4.11Å; V188-I191 PolarHBondContact O-N 2.96Å; W189-I191 PolarHBondContact O-N 3.05Å; I191-P194 VanDerWaalsContact O-CD 3.31Å; I191-P194 WeakPolarHBondContact O-CD 3.36Å; I191-P194 VanDerWaalsContact O-CG 3.3Å; I191-P194 WeakPolarHBondContact O-CG 3.44Å; I191-L195 HydrophobicContact CG2-CD1 3.75Å; I191-L195 HydrophobicContact CG2-CG 4.32Å; I191-L195 VanDerWaalsContact O-CG 3.25Å; I191-L195 WeakPolarHBondContact O-CG 3.06Å; I191-L195 PolarHBondContact O-N 3.27Å; I191-W216 HydrophobicContact CG2-CH2 4.05Å; I191-I225 HydrophobicContact CG2-CD1 4.08Å; I191-I225 HydrophobicContact CG2-CG2 4.5Å
192D97.7Very high95.9Very high1 Ų129.8 Ų29.81%0.00514%0.142CC..Hα-helixtrans-53.4-60176-168.883000112.2V188 W189 L195 M196 I225 R226 H229V188-D192 PolarHBondContact O-N 2.89Å; W189-D192 PolarHBondContact O-N 3Å; D192-L195 PolarHBondContact O-N 3.45Å; D192-M196 PolarHBondContact O-N 2.69Å; D192-I225 HydrophobicContact CB-CG2 3.83Å; D192-R226 PolarHBondContact O-NH2 3.49Å; D192-R226 WeakPolarHBondContact OD1-CA 3.48Å; D192-R226 WeakPolarHBondContact OD1-CD 3.48Å; D192-R226 IonicContact OD1-CZ 2.71Å; D192-R226 IonicContact OD1-NE 2.96Å; D192-R226 PolarHBondContact OD1-NE 3.22Å; D192-R226 IonicContact OD1-NH1 3.89Å; D192-R226 PolarHBondContact OD1-NH1 3.4Å; D192-R226 IonicContact OD1-NH2 3.4Å; D192-R226 PolarHBondContact OD1-NH2 2.87Å; D192-R226 IonicContact OD2-CZ 3.42Å; D192-R226 IonicContact OD2-NE 2.79Å; D192-R226 IonicContact OD2-NH1 3.05Å; D192-R226 PolarHBondContact OD2-NH1 2.95Å; D192-R226 IonicContact OD2-NH2 2.85Å; D192-R226 PolarHBondContact OD2-NH2 2.98Å; D192-R226 VanDerWaalsContact OD2-NH2 3.13Å; D192-H229 HydrophobicContact CB-CB 3.98Å; D192-H229 IonicContact OD1-ND1 2.64Å; D192-H229 IonicContact OD2-CE1 3.38Å; D192-H229 PolarHBondContact OD2-CE1 2.95Å; D192-H229 IonicContact OD2-CG 3.2Å; D192-H229 IonicContact OD2-ND1 3.39Å; D192-H229 PolarHBondContact OD2-ND1 2.88Å
193D96.8Very high95.4Very high11 Ų1128.2 Ų28.26%0.05914%0.143CC..Hα-helixtrans-48.9-53-175.5-173.181.1000114.5R24 W189 L195 M196 I197R24-D193 IonicContact CZ-OD1 2.71Å; R24-D193 IonicContact CZ-OD2 2.64Å; R24-D193 IonicContact NH1-OD1 3.14Å; R24-D193 PolarHBondContact NH1-OD1 2.7Å; R24-D193 IonicContact NH1-OD2 2.75Å; R24-D193 PolarHBondContact NH1-OD2 2.87Å; R24-D193 IonicContact NH2-OD1 3.75Å; R24-D193 PolarHBondContact NH2-OD1 3.1Å; R24-D193 IonicContact NH2-OD2 3.49Å; R24-D193 PolarHBondContact NH2-OD2 2.73Å; W189-D193 WeakPolarHBondContact O-CB 3.36Å; W189-D193 PolarHBondContact O-N 3.34Å; D193-L195 PolarHBondContact O-N 3.03Å; D193-M196 WeakPolarHBondContact O-CB 3.35Å; D193-M196 PolarHBondContact O-N 2.93Å; D193-I197 WeakPolarHBondContact O-CD1 3.45Å; D193-I197 WeakPolarHBondContact O-CG1 3.29Å; D193-I197 PolarHBondContact O-N 2.86Å; D193-I197 WeakPolarHBondContact OD2-CD1 3.45Å
194P96.7Very high95Very high2 Ų233 Ų331%0.01316%0.164CC..Hα-helixtrans-64.4-37.9177.322.2-31.4000113.5P26 I30 I191 M196 I197 M198P26-P194 HydrophobicContact CB-CB 4.06Å; P26-P194 HydrophobicContact CG-CB 4.29Å; I30-P194 HydrophobicContact CD1-CG 4.19Å; I30-P194 HydrophobicContact CG1-CB 4.38Å; I30-P194 HydrophobicContact CG1-CG 3.77Å; I191-P194 VanDerWaalsContact O-CD 3.31Å; I191-P194 WeakPolarHBondContact O-CD 3.36Å; I191-P194 VanDerWaalsContact O-CG 3.3Å; I191-P194 WeakPolarHBondContact O-CG 3.44Å; P194-M196 VanDerWaalsContact C-N 3.31Å; P194-M196 PolarHBondContact O-N 2.84Å; P194-I197 PolarHBondContact O-N 3.03Å; P194-M198 HydrophobicContact CB-CE 4.16Å; P194-M198 WeakPolarHBondContact O-CE 3.33Å; P194-M198 WeakPolarHBondContact O-CG 3.43Å; P194-M198 PolarHBondContact O-N 3.25Å
195L96.9Very high94.6Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-63.4-38.1176-65.4178.9000111.9I30 I191 D192 D193 I197 M198 R199 L213 W216 V217 Y222 I225I30-L195 HydrophobicContact CD1-CD2 3.75Å; I30-L195 HydrophobicContact CD1-CG 3.99Å; I191-L195 HydrophobicContact CG2-CD1 3.75Å; I191-L195 HydrophobicContact CG2-CG 4.32Å; I191-L195 VanDerWaalsContact O-CG 3.25Å; I191-L195 WeakPolarHBondContact O-CG 3.06Å; I191-L195 PolarHBondContact O-N 3.27Å; D192-L195 PolarHBondContact O-N 3.45Å; D193-L195 PolarHBondContact O-N 3.03Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-M198 HydrophobicContact CD2-CE 3.81Å; L195-R199 WeakPolarHBondContact O-CB 3.1Å; L195-R199 PolarHBondContact O-N 2.94Å; L195-L213 HydrophobicContact CB-CD2 4.46Å; L195-L213 HydrophobicContact CD2-CD2 3.89Å; L195-W216 HydrophobicContact CD1-CH2 4.38Å; L195-V217 HydrophobicContact CD1-CG1 4.21Å; L195-V217 HydrophobicContact CD1-CG2 4.2Å; L195-V217 HydrophobicContact CD2-CG1 4.27Å; L195-V217 HydrophobicContact CD2-CG2 3.7Å; L195-Y222 HydrophobicContact CB-CD2 4.04Å; L195-Y222 HydrophobicContact CB-CE2 3.8Å; L195-Y222 HydrophobicContact CD1-CD2 4.44Å; L195-I225 HydrophobicContact CD1-CD1 3.86Å
196M95.4Very high94Very high34 Ų3433.4 Ų33.417%0.16716%0.163CC..Hα-helixtrans-59.3-48.7176-167.1-138.1-58.500110.7D192 D193 P194 R199 E200 R226 F312D192-M196 PolarHBondContact O-N 2.69Å; D193-M196 WeakPolarHBondContact O-CB 3.35Å; D193-M196 PolarHBondContact O-N 2.93Å; P194-M196 VanDerWaalsContact C-N 3.31Å; P194-M196 PolarHBondContact O-N 2.84Å; M196-R199 CarbonylContact O-C 3.32Å; M196-R199 PolarHBondContact O-N 3.38Å; M196-R199 VanDerWaalsContact O-N 3.13Å; M196-E200 WeakPolarHBondContact O-CB 3.35Å; M196-E200 PolarHBondContact O-N 3.49Å; M196-R226 VanDerWaalsContact CB-NH1 3.33Å; M196-F312 HydrophobicContact SD-CE2 4.13Å
197I95.8Very high93.2Very high0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-71.1-36.2-172.7-67.2163.1000110.8R24 P26 W41 D193 P194 L195 R199 G201 W206R24-I197 VanDerWaalsContact NH1-CD1 3.33Å; P26-I197 VanDerWaalsContact CA-CD1 3.48Å; P26-I197 HydrophobicContact CB-CD1 4.1Å; P26-I197 HydrophobicContact CG-CB 4.07Å; P26-I197 HydrophobicContact CG-CD1 4.02Å; P26-I197 HydrophobicContact CG-CG2 3.88Å; W41-I197 HydrophobicContact CH2-CG2 4.15Å; W41-I197 HydrophobicContact CZ3-CG2 3.94Å; D193-I197 WeakPolarHBondContact O-CD1 3.45Å; D193-I197 WeakPolarHBondContact O-CG1 3.29Å; D193-I197 PolarHBondContact O-N 2.86Å; D193-I197 WeakPolarHBondContact OD2-CD1 3.45Å; P194-I197 PolarHBondContact O-N 3.03Å; L195-I197 VanDerWaalsContact C-N 3.34Å; I197-R199 VanDerWaalsContact C-N 3.34Å; I197-G201 PolarHBondContact O-N 3.18Å; I197-W206 HydrophobicContact CG2-CH2 3.89Å; I197-W206 HydrophobicContact CG2-CZ2 3.74Å
198M94.8Very high92.2Very high11 Ų1139.7 Ų39.75%0.05419%0.194CC..Hα-helixtrans-60.2-43.7169.2-74.2-176-100.200111.6I30 N36 W41 P194 L195 H211 L213I30-M198 HydrophobicContact CD1-CE 4.35Å; N36-M198 HydrophobicContact CB-SD 4.48Å; N36-M198 VanDerWaalsContact CG-SD 3.57Å; N36-M198 PolarHBondContact ND2-SD 2.05Å; W41-M198 HydrophobicContact CH2-CG 3.95Å; W41-M198 HydrophobicContact CZ2-CG 4.16Å; P194-M198 HydrophobicContact CB-CE 4.16Å; P194-M198 WeakPolarHBondContact O-CE 3.33Å; P194-M198 WeakPolarHBondContact O-CG 3.43Å; P194-M198 PolarHBondContact O-N 3.25Å; L195-M198 HydrophobicContact CD2-CE 3.81Å; M198-H211 HydrophobicContact CG-CB 4.43Å; M198-L213 HydrophobicContact CB-CD2 3.67Å; M198-L213 HydrophobicContact SD-CD2 4.17Å
199R92.6Very high91.5Very high110 Ų11045.6 Ų45.642%0.41523%0.225SC..Hα-helixtrans-73.7-36.3-178.5-164.8175.3-167.7-177.17.7113.5L195 M196 I197 D219 Y222 E223L195-R199 WeakPolarHBondContact O-CB 3.1Å; L195-R199 PolarHBondContact O-N 2.94Å; M196-R199 CarbonylContact O-C 3.32Å; M196-R199 PolarHBondContact O-N 3.38Å; M196-R199 VanDerWaalsContact O-N 3.13Å; I197-R199 VanDerWaalsContact C-N 3.34Å; R199-D219 IonicContact CZ-OD1 3.11Å; R199-D219 IonicContact NH2-OD1 3.48Å; R199-D219 PolarHBondContact NH2-OD1 2.8Å; R199-Y222 HydrophobicContact CB-CE2 4.36Å; R199-E223 IonicContact NH1-OE1 3.6Å; R199-E223 PolarHBondContact NH1-OE1 3.5Å
200E91.2Very high91Very high82 Ų8247.9 Ų47.938%0.38324%0.238SC..Hα-helixtrans-73.4-39.9178.1-173.1178.1165.500111.4H23 Q51 M196 F312H23-E200 IonicContact CD2-OE1 2.98Å; H23-E200 PolarHBondContact CD2-OE1 3.1Å; H23-E200 IonicContact CD2-OE2 2.7Å; H23-E200 PolarHBondContact CD2-OE2 2.88Å; H23-E200 IonicContact NE2-OE1 2.67Å; H23-E200 IonicContact NE2-OE2 3.99Å; Q51-E200 PolarHBondContact NE2-OE1 2.71Å; M196-E200 WeakPolarHBondContact O-CB 3.35Å; M196-E200 PolarHBondContact O-N 3.49Å; E200-F312 WeakPolarHBondContact OE2-CE2 3.12Å
201G91.4Very high90.8Very high10 Ų1047.8 Ų47.810%0.10324%0.237CC..  trans70.6173.4-17800000114.2H23 I197H23-G201 PolarHBondContact CE1-O 3.47Å; H23-G201 VanDerWaalsContact CE1-O 3.23Å; H23-G201 PolarHBondContact NE2-O 2.86Å; I197-G201 PolarHBondContact O-N 3.18Å
202S92.1Very high90.6Very high1 Ų150.2 Ų50.21%0.00725%0.253CS..BIsolated β-bridgetrans-146.992.5168.1-170.20000108.9Q51 E204 D205 W206Q51-S202 WeakPolarHBondContact CB-OG 3.32Å; S202-E204 PolarHBondContact O-N 2.77Å; S202-D205 PolarHBondContact O-N 3.29Å; S202-D205 PolarHBondContact OG-OD2 3.14Å; S202-W206 PolarHBondContact O-N 3.42Å; S202-W206 VanDerWaalsContact O-O 3.07Å
203P86.9Confident90.5Very high115 Ų11552.9 Ų52.975%0.74727%0.266SS*.THydrogen-bonded Turntrans-55.3-23.8-168.6-29.135.3000115.6
204E89.6Confident90.4Very high108 Ų10853 Ų5351%0.50527%0.267SS..THydrogen-bonded Turntrans-91.4-9.6179.3-62.5-175.1-12000114.3K50 S202K50-E204 HydrophobicContact CB-CB 3.97Å; K50-E204 HydrophobicContact CD-CB 3.7Å; K50-E204 PolarHBondContact NZ-O 3.48Å; S202-E204 PolarHBondContact O-N 2.77Å
205D90.5Very high90.4Very high22 Ų2260.8 Ų60.812%0.11831%0.309CS..THydrogen-bonded Turntrans-118.2-38-174.5-59.8-81000112.3Y42 T49 K50 S202Y42-D205 HydrophobicContact CD1-CB 4.49Å; T49-D205 VanDerWaalsContact CB-OD2 3.24Å; T49-D205 WeakPolarHBondContact CB-OD2 3.31Å; K50-D205 WeakPolarHBondContact CG-OD1 3.25Å; K50-D205 PolarHBondContact N-OD1 3.27Å; K50-D205 PolarHBondContact N-OD2 3.34Å; S202-D205 PolarHBondContact O-N 3.29Å; S202-D205 PolarHBondContact OG-OD2 3.14Å
206W86.1Confident90.4Very high16 Ų1662.5 Ų62.56%0.06132%0.316CS..BIsolated β-bridgetrans-148.9154.617464.485.9000113.4H23 T25 W41 T49 I197 S202 H211H23-W206 AromaticContact CE1-CH2 3.54Å; H23-W206 AromaticContact CE1-CZ2 3.83Å; T25-W206 HydrophobicContact CG2-CE3 4.4Å; T25-W206 HydrophobicContact CG2-CH2 4.23Å; T25-W206 HydrophobicContact CG2-CZ3 3.62Å; W41-W206 HydrophobicContact CE3-CD2 4.4Å; W41-W206 HydrophobicContact CE3-CE3 4.29Å; W41-W206 HydrophobicContact CE3-CH2 4.42Å; W41-W206 HydrophobicContact CE3-CZ3 4.3Å; W41-W206 HydrophobicContact CZ3-CD2 4.1Å; W41-W206 AromaticContact CZ3-CE2 3.78Å; W41-W206 HydrophobicContact CZ3-CE3 4.33Å; W41-W206 AromaticContact CZ3-CH2 4Å; W41-W206 HydrophobicContact CZ3-CH2 4Å; W41-W206 AromaticContact CZ3-CZ2 3.76Å; W41-W206 HydrophobicContact CZ3-CZ2 3.76Å; W41-W206 HydrophobicContact CZ3-CZ3 4.28Å; T49-W206 HydrophobicContact CG2-CH2 3.69Å; T49-W206 HydrophobicContact CG2-CZ3 3.4Å; I197-W206 HydrophobicContact CG2-CH2 3.89Å; I197-W206 HydrophobicContact CG2-CZ2 3.74Å; S202-W206 PolarHBondContact O-N 3.42Å; S202-W206 VanDerWaalsContact O-O 3.07Å; W206-H211 AromaticContact CD1-CD2 3.32Å; W206-H211 AromaticContact CG-CD2 3.48Å; W206-H211 VanDerWaalsContact CG-CD2 3.48Å; W206-H211 AromaticContact CG-NE2 3.83Å
207D77.8Confident90.4Very high72 Ų7261.7 Ų61.739%0.38531%0.312SS..  trans-85.3131.1172.2-179.7-13.6000108.4N209 K210D207-N209 PolarHBondContact O-N 2.88Å; D207-N209 WeakPolarHBondContact OD1-CB 3.37Å; D207-N209 PolarHBondContact OD1-N 3.07Å; D207-N209 PolarHBondContact OD1-ND2 3.21Å; D207-K210 HydrophobicContact CB-CD 4.05Å; D207-K210 HydrophobicContact CB-CG 4.05Å; D207-K210 WeakPolarHBondContact O-CB 3.28Å; D207-K210 PolarHBondContact O-N 2.87Å
208E77.3Confident90.5Very high142 Ų14265.1 Ų65.166%0.66433%0.334SS*.G310 helixtrans-54.9-32.6177.262.1-173.9179.900112.3K210 H211E208-K210 PolarHBondContact O-N 3.47Å; E208-H211 CarbonylContact O-C 3.34Å; E208-H211 VanDerWaalsContact O-C 3.32Å; E208-H211 PolarHBondContact O-N 3.06Å
209N83Confident90.6Very high124 Ų12469.9 Ų69.966%0.66336%0.359SS*.G310 helixtrans-68.2-18.4177.9-61.4-67.7000113D207D207-N209 PolarHBondContact O-N 2.88Å; D207-N209 WeakPolarHBondContact OD1-CB 3.37Å; D207-N209 PolarHBondContact OD1-N 3.07Å; D207-N209 PolarHBondContact OD1-ND2 3.21Å
210K84.2Confident90.9Very high139 Ų13972.3 Ų72.360%0.60438%0.375SS*.G310 helixtrans-89-11.9175.6-63.2179.9-174.8174.70112.8D207 E208D207-K210 HydrophobicContact CB-CD 4.05Å; D207-K210 HydrophobicContact CB-CG 4.05Å; D207-K210 WeakPolarHBondContact O-CB 3.28Å; D207-K210 PolarHBondContact O-N 2.87Å; E208-K210 PolarHBondContact O-N 3.47Å
211H92.1Very high91.2Very high4 Ų469.6 Ų69.62%0.01936%0.364CS..SBendtrans-129.257.1-179.8-66.9-78.4000111.2N36 T40 W41 M198 W206 E208N36-H211 WeakPolarHBondContact OD1-CA 3.38Å; N36-H211 VanDerWaalsContact OD1-CB 3.25Å; N36-H211 WeakPolarHBondContact OD1-CB 3.19Å; N36-H211 PolarHBondContact OD1-ND1 3.03Å; T40-H211 PolarHBondContact O-CE1 3.13Å; T40-H211 PolarHBondContact O-NE2 3.01Å; T40-H211 PolarHBondContact OG1-CE1 3.05Å; W41-H211 AromaticContact CD2-CE1 3.57Å; W41-H211 AromaticContact CD2-ND1 3.95Å; W41-H211 AromaticContact CE2-CE1 3.63Å; W41-H211 AromaticContact CE2-ND1 3.57Å; W41-H211 AromaticContact CE3-CE1 3.75Å; W41-H211 HydrophobicContact CH2-CB 4.38Å; W41-H211 AromaticContact CH2-ND1 3.61Å; W41-H211 AromaticContact CZ2-CE1 3.92Å; W41-H211 AromaticContact CZ2-ND1 3.4Å; W41-H211 WeakPolarHBondContact CZ2-ND1 3.48Å; W41-H211 AromaticContact CZ3-ND1 3.94Å; M198-H211 HydrophobicContact CG-CB 4.43Å; W206-H211 AromaticContact CD1-CD2 3.32Å; W206-H211 AromaticContact CG-CD2 3.48Å; W206-H211 VanDerWaalsContact CG-CD2 3.48Å; W206-H211 AromaticContact CG-NE2 3.83Å; E208-H211 CarbonylContact O-C 3.34Å; E208-H211 VanDerWaalsContact O-C 3.32Å; E208-H211 PolarHBondContact O-N 3.06Å
212P93.4Very high91.5Very high51 Ų5170 Ų7033%0.33136%0.363SS..PPolyproline II helixtrans-63.2143.4179.529.4-35.4000110.1N35 N36N35-P212 HydrophobicContact CB-CG 4.02Å; N36-P212 PolarHBondContact ND2-O 3.32Å
213L95.4Very high91.8Very high57 Ų5774.8 Ų74.830%0.29839%0.385SS..PPolyproline II helixtrans-59.9142.2166.2-68173.2000109.1L195 M198 V217L195-L213 HydrophobicContact CB-CD2 4.46Å; L195-L213 HydrophobicContact CD2-CD2 3.89Å; M198-L213 HydrophobicContact CB-CD2 3.67Å; M198-L213 HydrophobicContact SD-CD2 4.17Å; L213-V217 HydrophobicContact CB-CB 4.43Å; L213-V217 HydrophobicContact CD1-CG1 4.47Å
214P95.9Very high92.3Very high12 Ų1272.9 Ų72.98%0.07837%0.365CS..PPolyproline II helixtrans-56.2141.5173-24.731.9000112.2D33 W216 V217D33-P214 HydrophobicContact CB-CG 4.23Å; D33-P214 WeakPolarHBondContact OD2-CG 3.49Å; P214-W216 HydrophobicContact CB-CD2 4.38Å; P214-W216 HydrophobicContact CB-CG 4.32Å; P214-W216 HydrophobicContact CB-CZ2 4.24Å; P214-W216 HydrophobicContact CG-CZ2 4.25Å; P214-W216 PolarHBondContact O-N 3.19Å; P214-V217 HydrophobicContact CB-CG2 4.08Å; P214-V217 HydrophobicContact CG-CG2 4.23Å; P214-V217 WeakPolarHBondContact O-CB 3.46Å; P214-V217 WeakPolarHBondContact O-CG2 3.46Å; P214-V217 PolarHBondContact O-N 2.75Å
215D95.5Very high92.7Very high166 Ų16667.8 Ų67.889%0.88834%0.341SS*.THydrogen-bonded Turntrans-55.3-22.7-175-58.3-18.9000115.2V217D215-V217 VanDerWaalsContact C-N 3.3Å
216W96.8Very high93.1Very high36 Ų3667.7 Ų67.714%0.13634%0.339CS..THydrogen-bonded Turntrans-80.1-10.5177.959.5-96.5000113.5I30 W174 L175 K178 T179 I191 L195 P214 T218 V221 I225I30-W216 HydrophobicContact CD1-CZ2 4.33Å; W174-W216 HydrophobicContact CH2-CB 4.13Å; W174-W216 HydrophobicContact CH2-CD2 4.39Å; W174-W216 AromaticContact CH2-CE3 3.71Å; W174-W216 HydrophobicContact CH2-CE3 3.71Å; W174-W216 HydrophobicContact CZ2-CB 4.36Å; W174-W216 AromaticContact CZ3-CE3 3.81Å; W174-W216 HydrophobicContact CZ3-CE3 3.81Å; W174-W216 HydrophobicContact CZ3-CZ3 4.23Å; L175-W216 HydrophobicContact CD2-CE3 4.49Å; L175-W216 HydrophobicContact CD2-CH2 4.2Å; L175-W216 HydrophobicContact CD2-CZ3 3.71Å; K178-W216 HydrophobicContact CB-CD2 4.02Å; K178-W216 HydrophobicContact CB-CE3 4.45Å; K178-W216 HydrophobicContact CB-CG 4.25Å; K178-W216 HydrophobicContact CD-CB 3.99Å; K178-W216 HydrophobicContact CD-CG 3.96Å; K178-W216 HydrophobicContact CG-CB 4.45Å; K178-W216 HydrophobicContact CG-CD2 4.27Å; K178-W216 HydrophobicContact CG-CG 4.18Å; T179-W216 HydrophobicContact CG2-CH2 4Å; T179-W216 HydrophobicContact CG2-CZ2 3.93Å; I191-W216 HydrophobicContact CG2-CH2 4.05Å; L195-W216 HydrophobicContact CD1-CH2 4.38Å; P214-W216 HydrophobicContact CB-CD2 4.38Å; P214-W216 HydrophobicContact CB-CG 4.32Å; P214-W216 HydrophobicContact CB-CZ2 4.24Å; P214-W216 HydrophobicContact CG-CZ2 4.25Å; P214-W216 PolarHBondContact O-N 3.19Å; W216-T218 PolarHBondContact O-N 3.11Å; W216-V221 HydrophobicContact CE3-CG1 4.11Å; W216-V221 HydrophobicContact CZ3-CG1 3.99Å; W216-I225 HydrophobicContact CZ3-CD1 4.11Å
217V97.4Very high93.6Very high17 Ų1771.7 Ų71.710%0.10336%0.355CS..  trans-88.283.3180-174.70000108.9L195 L213 P214 D215 Y222L195-V217 HydrophobicContact CD1-CG1 4.21Å; L195-V217 HydrophobicContact CD1-CG2 4.2Å; L195-V217 HydrophobicContact CD2-CG1 4.27Å; L195-V217 HydrophobicContact CD2-CG2 3.7Å; L213-V217 HydrophobicContact CB-CB 4.43Å; L213-V217 HydrophobicContact CD1-CG1 4.47Å; P214-V217 HydrophobicContact CB-CG2 4.08Å; P214-V217 HydrophobicContact CG-CG2 4.23Å; P214-V217 WeakPolarHBondContact O-CB 3.46Å; P214-V217 WeakPolarHBondContact O-CG2 3.46Å; P214-V217 PolarHBondContact O-N 2.75Å; D215-V217 VanDerWaalsContact C-N 3.3Å; V217-Y222 HydrophobicContact CG1-CD2 4.18Å
218T97.5Very high94.6Very high73 Ų7368.2 Ų68.245%0.44834%0.337SS..  trans-74.3164.6165.465.50000110.3W216 E220 V221 Y222W216-T218 PolarHBondContact O-N 3.11Å; T218-E220 VanDerWaalsContact C-N 3.25Å; T218-E220 PolarHBondContact O-N 3.35Å; T218-V221 PolarHBondContact O-N 3.02Å; T218-V221 VanDerWaalsContact O-N 3.15Å; T218-V221 WeakPolarHBondContact OG1-CG2 3.25Å; T218-V221 PolarHBondContact OG1-N 3.07Å; T218-Y222 WeakPolarHBondContact O-CB 3.4Å; T218-Y222 PolarHBondContact O-N 2.87Å
219D97Very high95.6Very high110 Ų11062.5 Ų62.559%0.58831%0.31SS*.Hα-helixtrans-54.7-42.9173.8-75.6-40.6000111.6R199 V221 Y222 E223R199-D219 IonicContact CZ-OD1 3.11Å; R199-D219 IonicContact NH2-OD1 3.48Å; R199-D219 PolarHBondContact NH2-OD1 2.8Å; D219-V221 PolarHBondContact O-N 3.3Å; D219-Y222 PolarHBondContact O-N 3.17Å; D219-E223 WeakPolarHBondContact O-CG 3.44Å; D219-E223 PolarHBondContact O-N 3.22Å
220E97.8Very high96.3Very high162 Ų16259.2 Ų59.276%0.75729%0.29SS*.Hα-helixtrans-60-45.3177.1-175.7-177.1175.600112.3T218 K224T218-E220 VanDerWaalsContact C-N 3.25Å; T218-E220 PolarHBondContact O-N 3.35Å; E220-K224 VanDerWaalsContact O-CB 3.31Å; E220-K224 WeakPolarHBondContact O-CB 3.2Å; E220-K224 PolarHBondContact O-N 3.4Å
221V97.9Very high96.9Very high24 Ų2452.6 Ų52.615%0.14526%0.262CS..Hα-helixtrans-65.3-43177.7170.60000110.5W174 W216 T218 D219 K224 I225W174-V221 HydrophobicContact CH2-CG1 4.21Å; W174-V221 HydrophobicContact CH2-CG2 4.1Å; W174-V221 HydrophobicContact CZ3-CG1 3.95Å; W174-V221 HydrophobicContact CZ3-CG2 4.36Å; W216-V221 HydrophobicContact CE3-CG1 4.11Å; W216-V221 HydrophobicContact CZ3-CG1 3.99Å; T218-V221 PolarHBondContact O-N 3.02Å; T218-V221 VanDerWaalsContact O-N 3.15Å; T218-V221 WeakPolarHBondContact OG1-CG2 3.25Å; T218-V221 PolarHBondContact OG1-N 3.07Å; D219-V221 PolarHBondContact O-N 3.3Å; V221-K224 PolarHBondContact O-N 3.49Å; V221-I225 HydrophobicContact CG1-CD1 3.79Å; V221-I225 HydrophobicContact CG1-CG1 4.47Å; V221-I225 VanDerWaalsContact O-CG1 3.28Å; V221-I225 WeakPolarHBondContact O-CG1 3.47Å; V221-I225 PolarHBondContact O-N 3.35Å
222Y98Very high97.1Very high18 Ų1852.9 Ų52.97%0.07126%0.264CS..Hα-helixtrans-60.8-51.5178.3-178.1-84.7000111.3L195 R199 V217 T218 D219 K224 I225 R226L195-Y222 HydrophobicContact CB-CD2 4.04Å; L195-Y222 HydrophobicContact CB-CE2 3.8Å; L195-Y222 HydrophobicContact CD1-CD2 4.44Å; R199-Y222 HydrophobicContact CB-CE2 4.36Å; V217-Y222 HydrophobicContact CG1-CD2 4.18Å; T218-Y222 WeakPolarHBondContact O-CB 3.4Å; T218-Y222 PolarHBondContact O-N 2.87Å; D219-Y222 PolarHBondContact O-N 3.17Å; Y222-K224 VanDerWaalsContact C-N 3.26Å; Y222-K224 PolarHBondContact O-N 2.71Å; Y222-I225 PolarHBondContact O-N 3.29Å; Y222-I225 VanDerWaalsContact O-N 3.15Å; Y222-R226 HydrophobicContact CD1-CG 3.78Å; Y222-R226 HydrophobicContact CE1-CG 3.43Å; Y222-R226 VanDerWaalsContact CE1-CG 3.43Å; Y222-R226 WeakPolarHBondContact O-CG 3.46Å; Y222-R226 PolarHBondContact O-N 3.39Å; Y222-R226 PolarHBondContact OH-NE 3.45Å
223E97.7Very high97.3Very high102 Ų10250.6 Ų50.648%0.47725%0.249SC..Hα-helixtrans-63.1-34.7179.7-65.9-48.8137.600111.7R199 D219 R226 Y227R199-E223 IonicContact NH1-OE1 3.6Å; R199-E223 PolarHBondContact NH1-OE1 3.5Å; D219-E223 WeakPolarHBondContact O-CG 3.44Å; D219-E223 PolarHBondContact O-N 3.22Å; E223-R226 WeakPolarHBondContact O-CB 3.43Å; E223-R226 PolarHBondContact O-N 3.46Å; E223-Y227 WeakPolarHBondContact O-CB 3.44Å; E223-Y227 PolarHBondContact O-N 2.81Å
224K98.1Very high97.3Very high75 Ų7547.9 Ų47.933%0.32624%0.235SC..Hα-helixtrans-66.9-40.3174.6-174.660.8177.71780112.5N168 L171 E220 V221 Y222 L228N168-K224 WeakPolarHBondContact OD1-CE 3.43Å; N168-K224 PolarHBondContact OD1-NZ 3.4Å; L171-K224 HydrophobicContact CD2-CD 4.45Å; L171-K224 HydrophobicContact CD2-CG 3.51Å; E220-K224 VanDerWaalsContact O-CB 3.31Å; E220-K224 WeakPolarHBondContact O-CB 3.2Å; E220-K224 PolarHBondContact O-N 3.4Å; V221-K224 PolarHBondContact O-N 3.49Å; Y222-K224 VanDerWaalsContact C-N 3.26Å; Y222-K224 PolarHBondContact O-N 2.71Å; K224-L228 HydrophobicContact CG-CD1 4.35Å; K224-L228 WeakPolarHBondContact O-CG 3.15Å; K224-L228 PolarHBondContact O-N 3.42Å
225I98.3Very high97.3Very high1 Ų147.8 Ų47.81%0.00523%0.233CC..Hα-helixtrans-64.3-44.4174.1-69.6166.4000110.3L175 V188 I191 D192 L195 W216 V221 Y222 Y227 L228 H229L175-I225 HydrophobicContact CD1-CD1 4.47Å; L175-I225 HydrophobicContact CD1-CG1 4.16Å; L175-I225 HydrophobicContact CD2-CD1 3.86Å; L175-I225 HydrophobicContact CD2-CG1 4.39Å; V188-I225 HydrophobicContact CG2-CG2 4.01Å; I191-I225 HydrophobicContact CG2-CD1 4.08Å; I191-I225 HydrophobicContact CG2-CG2 4.5Å; D192-I225 HydrophobicContact CB-CG2 3.83Å; L195-I225 HydrophobicContact CD1-CD1 3.86Å; W216-I225 HydrophobicContact CZ3-CD1 4.11Å; V221-I225 HydrophobicContact CG1-CD1 3.79Å; V221-I225 HydrophobicContact CG1-CG1 4.47Å; V221-I225 VanDerWaalsContact O-CG1 3.28Å; V221-I225 WeakPolarHBondContact O-CG1 3.47Å; V221-I225 PolarHBondContact O-N 3.35Å; Y222-I225 PolarHBondContact O-N 3.29Å; Y222-I225 VanDerWaalsContact O-N 3.15Å; I225-Y227 PolarHBondContact O-N 3.45Å; I225-L228 PolarHBondContact O-N 2.85Å; I225-H229 PolarHBondContact O-N 3.45Å
226R97.4Very high97.3Very high20 Ų2041.6 Ų41.68%0.07520%0.2CC..Hα-helixtrans-54-53.7174.7-72.6-66.1128-170.4-9.8111.4D192 M196 Y222 E223 L228 H229 Q230D192-R226 PolarHBondContact O-NH2 3.49Å; D192-R226 WeakPolarHBondContact OD1-CA 3.48Å; D192-R226 WeakPolarHBondContact OD1-CD 3.48Å; D192-R226 IonicContact OD1-CZ 2.71Å; D192-R226 IonicContact OD1-NE 2.96Å; D192-R226 PolarHBondContact OD1-NE 3.22Å; D192-R226 IonicContact OD1-NH1 3.89Å; D192-R226 PolarHBondContact OD1-NH1 3.4Å; D192-R226 IonicContact OD1-NH2 3.4Å; D192-R226 PolarHBondContact OD1-NH2 2.87Å; D192-R226 IonicContact OD2-CZ 3.42Å; D192-R226 IonicContact OD2-NE 2.79Å; D192-R226 IonicContact OD2-NH1 3.05Å; D192-R226 PolarHBondContact OD2-NH1 2.95Å; D192-R226 IonicContact OD2-NH2 2.85Å; D192-R226 PolarHBondContact OD2-NH2 2.98Å; D192-R226 VanDerWaalsContact OD2-NH2 3.13Å; M196-R226 VanDerWaalsContact CB-NH1 3.33Å; Y222-R226 HydrophobicContact CD1-CG 3.78Å; Y222-R226 HydrophobicContact CE1-CG 3.43Å; Y222-R226 VanDerWaalsContact CE1-CG 3.43Å; Y222-R226 WeakPolarHBondContact O-CG 3.46Å; Y222-R226 PolarHBondContact O-N 3.39Å; Y222-R226 PolarHBondContact OH-NE 3.45Å; E223-R226 WeakPolarHBondContact O-CB 3.43Å; E223-R226 PolarHBondContact O-N 3.46Å; R226-L228 VanDerWaalsContact C-N 3.31Å; R226-L228 PolarHBondContact O-N 3.3Å; R226-H229 PolarHBondContact O-N 2.9Å; R226-Q230 WeakPolarHBondContact O-CG 3.4Å; R226-Q230 PolarHBondContact O-N 3.24Å
227Y97.8Very high97.3Very high100 Ų10039.9 Ų39.939%0.39219%0.194SC..Hα-helixtrans-57.3-45179.8171.5-93.8000111.6E223 I225 H229 Q230 A231 P306E223-Y227 WeakPolarHBondContact O-CB 3.44Å; E223-Y227 PolarHBondContact O-N 2.81Å; I225-Y227 PolarHBondContact O-N 3.45Å; Y227-H229 PolarHBondContact O-N 3.28Å; Y227-Q230 PolarHBondContact O-N 3.18Å; Y227-A231 HydrophobicContact CE1-CB 4.45Å; Y227-A231 VanDerWaalsContact O-CB 3.28Å; Y227-A231 WeakPolarHBondContact O-CB 3.12Å; Y227-A231 PolarHBondContact O-N 3.11Å; Y227-P306 HydrophobicContact CD2-CG 4.4Å; Y227-P306 HydrophobicContact CE2-CG 3.75Å
228L98.2Very high97Very high0 Ų041.5 Ų41.50%020%0.202CC..Hα-helixtrans-68.4-35.2-179.9-71.1171.8000112.5N168 L171 F172 F185 V188 K224 I225 R226 S232N168-L228 HydrophobicContact CB-CD1 4.2Å; N168-L228 HydrophobicContact CB-CD2 4.23Å; L171-L228 HydrophobicContact CD2-CD1 3.57Å; F172-L228 HydrophobicContact CE1-CD1 3.79Å; F172-L228 HydrophobicContact CZ-CD1 4.04Å; F172-L228 HydrophobicContact CZ-CD2 4.45Å; F185-L228 HydrophobicContact CD2-CD2 4.31Å; F185-L228 HydrophobicContact CE2-CD2 4.3Å; F185-L228 WeakPolarHBondContact CE2-O 3.36Å; V188-L228 HydrophobicContact CG1-CB 4.15Å; V188-L228 HydrophobicContact CG2-CB 4.25Å; K224-L228 HydrophobicContact CG-CD1 4.35Å; K224-L228 WeakPolarHBondContact O-CG 3.15Å; K224-L228 PolarHBondContact O-N 3.42Å; I225-L228 PolarHBondContact O-N 2.85Å; R226-L228 VanDerWaalsContact C-N 3.31Å; R226-L228 PolarHBondContact O-N 3.3Å; L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 3.2Å; L228-S232 PolarHBondContact O-OG 2.85Å
229H97.9Very high96.9Very high22 Ų2240.6 Ų40.610%0.10219%0.192CC..Hα-helixtrans-63.4-49.6171.1179-157.3000111V188 W189 D192 I225 R226 Y227 A231 S232 N233V188-H229 HydrophobicContact CG1-CB 4.25Å; W189-H229 WeakPolarHBondContact CB-CD2 3.17Å; W189-H229 VanDerWaalsContact CB-NE2 3.28Å; W189-H229 WeakPolarHBondContact CB-NE2 3.41Å; D192-H229 HydrophobicContact CB-CB 3.98Å; D192-H229 IonicContact OD1-ND1 2.64Å; D192-H229 IonicContact OD2-CE1 3.38Å; D192-H229 PolarHBondContact OD2-CE1 2.95Å; D192-H229 IonicContact OD2-CG 3.2Å; D192-H229 IonicContact OD2-ND1 3.39Å; D192-H229 PolarHBondContact OD2-ND1 2.88Å; I225-H229 PolarHBondContact O-N 3.45Å; R226-H229 PolarHBondContact O-N 2.9Å; Y227-H229 PolarHBondContact O-N 3.28Å; H229-A231 VanDerWaalsContact C-N 3.32Å; H229-A231 PolarHBondContact O-N 3.1Å; H229-S232 PolarHBondContact O-N 2.85Å; H229-S232 PolarHBondContact O-OG 3.28Å; H229-N233 PolarHBondContact CD2-ND2 2.93Å; H229-N233 PolarHBondContact CD2-OD1 3.26Å; H229-N233 VanDerWaalsContact CD2-OD1 3.29Å; H229-N233 PolarHBondContact NE2-ND2 2.75Å; H229-N233 PolarHBondContact NE2-OD1 3.2Å; H229-N233 PolarHBondContact O-N 3.03Å; H229-N233 PolarHBondContact O-ND2 2.96Å; H229-N233 PolarHBondContact O-OD1 3.13Å
230Q97.4Very high96.9Very high54 Ų5439.5 Ų39.525%0.25218%0.184SC..Hα-helixtrans-57.3-45176.1-68.6168.61.600112.1R226 Y227 S232 N233 A234 P306 I307 E308R226-Q230 WeakPolarHBondContact O-CG 3.4Å; R226-Q230 PolarHBondContact O-N 3.24Å; Y227-Q230 PolarHBondContact O-N 3.18Å; Q230-S232 VanDerWaalsContact C-N 3.32Å; Q230-S232 PolarHBondContact O-N 2.83Å; Q230-N233 WeakPolarHBondContact O-CB 3.38Å; Q230-N233 PolarHBondContact O-N 2.82Å; Q230-A234 PolarHBondContact O-N 3.02Å; Q230-P306 HydrophobicContact CB-CB 3.75Å; Q230-P306 WeakPolarHBondContact O-CA 3.34Å; Q230-I307 WeakPolarHBondContact CA-O 3.35Å; Q230-I307 PolarHBondContact O-N 3.44Å; Q230-E308 WeakPolarHBondContact CG-OE2 3.48Å; Q230-E308 PolarHBondContact NE2-OE2 3Å
231A97.4Very high96.8Very high1 Ų135.6 Ų35.61%0.00816%0.164CC..Hα-helixtrans-61.7-40.7175.800000111.2L164 F185 Y227 H229 N233 A234 F235 P306L164-A231 HydrophobicContact CD1-CB 4.45Å; F185-A231 HydrophobicContact CE2-CB 3.78Å; F185-A231 VanDerWaalsContact CZ-C 3.43Å; F185-A231 HydrophobicContact CZ-CB 3.85Å; Y227-A231 HydrophobicContact CE1-CB 4.45Å; Y227-A231 VanDerWaalsContact O-CB 3.28Å; Y227-A231 WeakPolarHBondContact O-CB 3.12Å; Y227-A231 PolarHBondContact O-N 3.11Å; H229-A231 VanDerWaalsContact C-N 3.32Å; H229-A231 PolarHBondContact O-N 3.1Å; A231-N233 VanDerWaalsContact C-N 3.3Å; A231-N233 PolarHBondContact O-N 3.05Å; A231-A234 WeakPolarHBondContact O-CB 3.37Å; A231-A234 PolarHBondContact O-N 3.02Å; A231-F235 VanDerWaalsContact O-CD2 3.27Å; A231-F235 WeakPolarHBondContact O-CD2 3.38Å; A231-F235 WeakPolarHBondContact O-CE2 3.4Å; A231-P306 HydrophobicContact CB-CB 4.45Å; A231-P306 HydrophobicContact CB-CG 4.19Å
232S97Very high96.8Very high9 Ų934.5 Ų34.56%0.06316%0.157CC..Hα-helixtrans-66.2-32.6176.777.50000112.5F185 L228 H229 Q230 A234 F235F185-S232 VanDerWaalsContact CZ-CA 3.46Å; F185-S232 VanDerWaalsContact CZ-N 3.32Å; F185-S232 VanDerWaalsContact O-CB 3.24Å; F185-S232 WeakPolarHBondContact O-CB 3.47Å; L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 3.2Å; L228-S232 PolarHBondContact O-OG 2.85Å; H229-S232 PolarHBondContact O-N 2.85Å; H229-S232 PolarHBondContact O-OG 3.28Å; Q230-S232 VanDerWaalsContact C-N 3.32Å; Q230-S232 PolarHBondContact O-N 2.83Å; S232-A234 PolarHBondContact O-N 3.26Å; S232-F235 PolarHBondContact O-N 3.03Å; S232-F235 VanDerWaalsContact O-N 3.09Å
233N96.6Very high96.7Very high4 Ų435.3 Ų35.32%0.02116%0.16CC..Hα-helixtrans-63.1-32.9178.7-66.1-28.9000112.3H229 Q230 A231 F235 L236 I307 M309H229-N233 PolarHBondContact CD2-ND2 2.93Å; H229-N233 PolarHBondContact CD2-OD1 3.26Å; H229-N233 VanDerWaalsContact CD2-OD1 3.29Å; H229-N233 PolarHBondContact NE2-ND2 2.75Å; H229-N233 PolarHBondContact NE2-OD1 3.2Å; H229-N233 PolarHBondContact O-N 3.03Å; H229-N233 PolarHBondContact O-ND2 2.96Å; H229-N233 PolarHBondContact O-OD1 3.13Å; Q230-N233 WeakPolarHBondContact O-CB 3.38Å; Q230-N233 PolarHBondContact O-N 2.82Å; A231-N233 VanDerWaalsContact C-N 3.3Å; A231-N233 PolarHBondContact O-N 3.05Å; N233-F235 PolarHBondContact O-N 2.96Å; N233-L236 HydrophobicContact CB-CD1 4.25Å; N233-L236 WeakPolarHBondContact O-CB 3.37Å; N233-L236 PolarHBondContact O-N 2.68Å; N233-I307 HydrophobicContact CB-CB 4.3Å; N233-I307 WeakPolarHBondContact CB-O 3.35Å; N233-I307 PolarHBondContact ND2-O 3.15Å; N233-I307 VanDerWaalsContact ND2-O 3.15Å; N233-M309 HydrophobicContact CB-SD 4.4Å; N233-M309 WeakPolarHBondContact ND2-CG 3.45Å
234A96.1Very high96.7Very high0 Ų033 Ų330%015%0.149CC..THydrogen-bonded Turntrans-60.1-10.5175.300000114.1Q230 A231 S232 N238 E305 I307Q230-A234 PolarHBondContact O-N 3.02Å; A231-A234 WeakPolarHBondContact O-CB 3.37Å; A231-A234 PolarHBondContact O-N 3.02Å; S232-A234 PolarHBondContact O-N 3.26Å; A234-N238 WeakPolarHBondContact O-CB 3.31Å; A234-N238 PolarHBondContact O-ND2 3.34Å; A234-E305 WeakPolarHBondContact CB-O 3.28Å; A234-I307 HydrophobicContact CB-CD1 4.25Å; A234-I307 HydrophobicContact CB-CG1 4.1Å
235F96.5Very high96.7Very high10 Ų1029.7 Ų29.74%0.04414%0.135CC..THydrogen-bonded Turntrans-108.3-9.2178.4-66-89.1000113.6V155 E160 Y161 L164 F185 A231 S232 N233 F237 T304V155-F235 HydrophobicContact CG1-CB 3.81Å; V155-F235 HydrophobicContact CG1-CD1 3.99Å; V155-F235 HydrophobicContact CG1-CG 4.37Å; E160-F235 HydrophobicContact CB-CE1 4.37Å; E160-F235 HydrophobicContact CB-CZ 4.11Å; E160-F235 HydrophobicContact CG-CE1 4.44Å; E160-F235 HydrophobicContact CG-CZ 3.71Å; Y161-F235 HydrophobicContact CD2-CB 4.18Å; Y161-F235 AromaticContact CD2-CD1 3.9Å; Y161-F235 HydrophobicContact CD2-CD1 3.9Å; Y161-F235 HydrophobicContact CD2-CD2 4.23Å; Y161-F235 HydrophobicContact CD2-CE1 4.39Å; Y161-F235 AromaticContact CD2-CG 3.82Å; Y161-F235 HydrophobicContact CD2-CG 3.82Å; L164-F235 HydrophobicContact CD1-CE2 3.95Å; L164-F235 HydrophobicContact CD1-CZ 4.31Å; F185-F235 AromaticContact CE1-CD2 3.9Å; F185-F235 HydrophobicContact CE1-CD2 3.9Å; F185-F235 AromaticContact CE1-CE2 3.95Å; F185-F235 HydrophobicContact CE1-CE2 3.95Å; F185-F235 HydrophobicContact CZ-CD2 4.23Å; F185-F235 HydrophobicContact CZ-CE2 4.14Å; A231-F235 VanDerWaalsContact O-CD2 3.27Å; A231-F235 WeakPolarHBondContact O-CD2 3.38Å; A231-F235 WeakPolarHBondContact O-CE2 3.4Å; S232-F235 PolarHBondContact O-N 3.03Å; S232-F235 VanDerWaalsContact O-N 3.09Å; N233-F235 PolarHBondContact O-N 2.96Å; F235-F237 PolarHBondContact O-N 3.11Å; F235-T304 HydrophobicContact CE1-CG2 3.75Å; F235-T304 HydrophobicContact CZ-CG2 3.7Å
236L95.4Very high96.7Very high36 Ų3630.3 Ų30.319%0.18814%0.137CC..THydrogen-bonded Turntrans-61.1-45.8-172.7-71.5175.7000112.3F141 N233 I242 L289 L292F141-L236 HydrophobicContact CZ-CD2 4.2Å; N233-L236 HydrophobicContact CB-CD1 4.25Å; N233-L236 WeakPolarHBondContact O-CB 3.37Å; N233-L236 PolarHBondContact O-N 2.68Å; L236-I242 WeakPolarHBondContact O-CG2 3.46Å; L236-L289 HydrophobicContact CD1-CD2 4.02Å; L236-L292 HydrophobicContact CD1-CD2 3.95Å
237F96Very high96.7Very high0 Ų029.4 Ų29.40%013%0.134CC..SBendtrans-124.515.1178.2-41.1-67.1000113.2T140 F141 F235 H239 I242 R243 R246 L289 L292 V293 E296T140-F237 HydrophobicContact CG2-CE1 3.7Å; T140-F237 HydrophobicContact CG2-CZ 3.6Å; F141-F237 HydrophobicContact CE1-CE1 4.3Å; F141-F237 HydrophobicContact CZ-CE1 4.4Å; F235-F237 PolarHBondContact O-N 3.11Å; F237-H239 PolarHBondContact O-N 2.71Å; F237-I242 HydrophobicContact CD1-CG2 3.95Å; F237-R243 HydrophobicContact CB-CG 3.9Å; F237-R243 WeakPolarHBondContact O-CG 3.24Å; F237-R243 PolarHBondContact O-NH1 3.33Å; F237-R246 HydrophobicContact CD1-CB 3.98Å; F237-R246 HydrophobicContact CD1-CG 4.27Å; F237-R246 HydrophobicContact CE1-CB 3.85Å; F237-R246 HydrophobicContact CE1-CG 4.17Å; F237-L289 HydrophobicContact CE2-CD2 4.28Å; F237-L289 HydrophobicContact CZ-CB 4.39Å; F237-L289 HydrophobicContact CZ-CD2 3.96Å; F237-L292 HydrophobicContact CD2-CD2 4.22Å; F237-L292 HydrophobicContact CD2-CG 3.97Å; F237-L292 HydrophobicContact CE2-CB 4.11Å; F237-L292 HydrophobicContact CE2-CD2 3.9Å; F237-L292 HydrophobicContact CE2-CG 3.85Å; F237-V293 HydrophobicContact CB-CG2 4.26Å; F237-V293 HydrophobicContact CD1-CB 4.3Å; F237-V293 HydrophobicContact CD1-CG2 3.87Å; F237-V293 HydrophobicContact CD2-CB 3.73Å; F237-V293 HydrophobicContact CD2-CG2 3.98Å; F237-V293 HydrophobicContact CE1-CB 4.25Å; F237-V293 HydrophobicContact CE1-CG2 4.17Å; F237-V293 HydrophobicContact CE2-CB 3.65Å; F237-V293 HydrophobicContact CE2-CG2 4.26Å; F237-V293 HydrophobicContact CG-CB 4.05Å; F237-V293 HydrophobicContact CG-CG2 3.76Å; F237-V293 HydrophobicContact CZ-CB 3.92Å; F237-V293 HydrophobicContact CZ-CG2 4.35Å; F237-E296 HydrophobicContact CB-CG 4.49Å; F237-E296 WeakPolarHBondContact CB-OE1 3.29Å; F237-E296 PolarHBondContact N-OE1 3.11Å
238N91.5Very high96.7Very high51 Ų5124.7 Ų24.727%0.27312%0.115SC..  trans-75.440.2179-170.720.4000113.7A234 E296 G303A234-N238 WeakPolarHBondContact O-CB 3.31Å; A234-N238 PolarHBondContact O-ND2 3.34Å; N238-E296 PolarHBondContact N-OE2 2.7Å; N238-G303 PolarHBondContact ND2-O 3.35Å
239H95.5Very high96.7Very high53 Ų5326.5 Ų26.525%0.24513%0.125CC..SBendtrans-145.4131169.2-168.8-83.9000108.6T150 E154 V155 F237 K241 I242 R243T150-H239 HydrophobicContact CG2-CB 4.42Å; T150-H239 WeakPolarHBondContact CG2-ND1 3.4Å; E154-H239 IonicContact OE2-CE1 3.75Å; E154-H239 IonicContact OE2-NE2 2.75Å; E154-H239 PolarHBondContact OE2-NE2 3.13Å; E154-H239 VanDerWaalsContact OE2-NE2 3.16Å; V155-H239 HydrophobicContact CG2-CB 4.12Å; F237-H239 PolarHBondContact O-N 2.71Å; H239-K241 VanDerWaalsContact C-N 3.32Å; H239-K241 WeakPolarHBondContact ND1-CB 3.21Å; H239-K241 PolarHBondContact ND1-N 2.63Å; H239-K241 PolarHBondContact O-N 3.33Å; H239-I242 HydrophobicContact CB-CB 4.21Å; H239-I242 HydrophobicContact CB-CD1 3.77Å; H239-I242 HydrophobicContact CB-CG1 3.88Å; H239-I242 WeakPolarHBondContact O-CA 3.43Å; H239-I242 WeakPolarHBondContact O-CB 3.43Å; H239-I242 PolarHBondContact O-N 2.95Å; H239-R243 PolarHBondContact O-N 2.86Å
240E95.7Very high96.7Very high88 Ų8825.6 Ų25.641%0.41112%0.121SC..Hα-helixtrans-58.1-43-172.6177.4160.8114.800112.8I242 R243 K244 K369 Y370E240-I242 VanDerWaalsContact C-N 3.27Å; E240-I242 PolarHBondContact O-N 2.58Å; E240-R243 PolarHBondContact O-N 3Å; E240-K244 PolarHBondContact O-N 3.36Å; E240-K369 IonicContact OE2-NZ 2.94Å; E240-K369 PolarHBondContact OE2-NZ 3.21Å; E240-Y370 HydrophobicContact CG-CE1 3.91Å
241K96.2Very high96.7Very high79 Ų7923 Ų2334%0.34311%0.109SC..Hα-helixtrans-60.8-36.1175.6-174.6178.9168-156.20112.3A146 T150 H239 L245A146-K241 PolarHBondContact O-NZ 3.22Å; T150-K241 WeakPolarHBondContact OG1-CD 2.97Å; T150-K241 PolarHBondContact OG1-NZ 3.39Å; H239-K241 VanDerWaalsContact C-N 3.32Å; H239-K241 WeakPolarHBondContact ND1-CB 3.21Å; H239-K241 PolarHBondContact ND1-N 2.63Å; H239-K241 PolarHBondContact O-N 3.33Å; K241-L245 HydrophobicContact CG-CD1 3.9Å; K241-L245 HydrophobicContact CG-CG 4.47Å; K241-L245 WeakPolarHBondContact O-CB 3.46Å; K241-L245 VanDerWaalsContact O-CG 3.26Å; K241-L245 WeakPolarHBondContact O-CG 3.16Å; K241-L245 PolarHBondContact O-N 2.65Å
242I97.1Very high96.7Very high1 Ų123.8 Ų23.81%0.00512%0.117CC..Hα-helixtrans-70-45.2177.4-60.7177.2000109.6T150 V151 V155 L236 F237 H239 E240 K244 L245 R246T150-I242 HydrophobicContact CG2-CD1 3.99Å; T150-I242 HydrophobicContact CG2-CG1 3.74Å; V151-I242 HydrophobicContact CG2-CD1 3.49Å; V151-I242 VanDerWaalsContact CG2-CD1 3.49Å; V151-I242 HydrophobicContact CG2-CG1 4.46Å; V155-I242 HydrophobicContact CG2-CD1 3.63Å; L236-I242 WeakPolarHBondContact O-CG2 3.46Å; F237-I242 HydrophobicContact CD1-CG2 3.95Å; H239-I242 HydrophobicContact CB-CB 4.21Å; H239-I242 HydrophobicContact CB-CD1 3.77Å; H239-I242 HydrophobicContact CB-CG1 3.88Å; H239-I242 WeakPolarHBondContact O-CA 3.43Å; H239-I242 WeakPolarHBondContact O-CB 3.43Å; H239-I242 PolarHBondContact O-N 2.95Å; E240-I242 VanDerWaalsContact C-N 3.27Å; E240-I242 PolarHBondContact O-N 2.58Å; I242-K244 VanDerWaalsContact C-N 3.28Å; I242-K244 PolarHBondContact O-N 2.73Å; I242-L245 PolarHBondContact O-N 3.29Å; I242-L245 VanDerWaalsContact O-N 3.17Å; I242-R246 HydrophobicContact CG2-CB 4.37Å; I242-R246 HydrophobicContact CG2-CG 3.57Å; I242-R246 WeakPolarHBondContact O-CB 3.32Å; I242-R246 VanDerWaalsContact O-CG 3.31Å; I242-R246 WeakPolarHBondContact O-CG 3.47Å; I242-R246 PolarHBondContact O-N 3Å
243R97.4Very high96.7Very high35 Ų3525 Ų2513%0.13212%0.122CC..Hα-helixtrans-54.8-45.5174.5-70.1-172.8-72.2-89.43.7112F237 H239 E240 G247 G248 E296 I297 Y370F237-R243 HydrophobicContact CB-CG 3.9Å; F237-R243 WeakPolarHBondContact O-CG 3.24Å; F237-R243 PolarHBondContact O-NH1 3.33Å; H239-R243 PolarHBondContact O-N 2.86Å; E240-R243 PolarHBondContact O-N 3Å; R243-G247 WeakPolarHBondContact O-CA 3.29Å; R243-G247 PolarHBondContact O-N 3.01Å; R243-G248 PolarHBondContact O-N 3.46Å; R243-E296 IonicContact NH1-OE2 3.01Å; R243-I297 HydrophobicContact CB-CD1 4.5Å; R243-I297 HydrophobicContact CB-CG1 3.91Å; R243-I297 HydrophobicContact CG-CG1 4.32Å; R243-Y370 HydrophobicContact CB-CD1 3.87Å; R243-Y370 HydrophobicContact CB-CE1 3.63Å; R243-Y370 PolarHBondContact NE-OH 3.36Å
244K97.7Very high96.7Very high54 Ų5424.9 Ų24.924%0.23512%0.121CC..Hα-helixtrans-58.1-53.1175.6-174179.4-171.3-156.60111.2E240 I242 R246 G248 Y370 F371 V372 E378E240-K244 PolarHBondContact O-N 3.36Å; I242-K244 VanDerWaalsContact C-N 3.28Å; I242-K244 PolarHBondContact O-N 2.73Å; K244-R246 PolarHBondContact O-N 3.24Å; K244-G248 WeakPolarHBondContact O-CA 3.19Å; K244-G248 PolarHBondContact O-N 3.29Å; K244-Y370 HydrophobicContact CB-CD1 4.31Å; K244-F371 WeakPolarHBondContact CE-O 3.11Å; K244-V372 HydrophobicContact CG-CG2 3.72Å; K244-V372 VanDerWaalsContact O-CG2 3.32Å; K244-V372 WeakPolarHBondContact O-CG2 3.46Å; K244-E378 WeakPolarHBondContact CE-OE1 3.32Å; K244-E378 WeakPolarHBondContact CE-OE2 3.18Å; K244-E378 IonicContact NZ-OE1 3.13Å; K244-E378 PolarHBondContact NZ-OE1 2.92Å; K244-E378 IonicContact NZ-OE2 2.95Å; K244-E378 PolarHBondContact NZ-OE2 3.38Å
245L97.6Very high96.8Very high6 Ų624.9 Ų24.93%0.03112%0.121CC..Hα-helixtrans-73.8-26.4-174.4-65.6173000114.1A146 A147 K241 I242 W375 E378A146-L245 HydrophobicContact CB-CD1 3.9Å; A147-L245 HydrophobicContact CB-CB 4.08Å; A147-L245 HydrophobicContact CB-CD1 3.84Å; K241-L245 HydrophobicContact CG-CD1 3.9Å; K241-L245 HydrophobicContact CG-CG 4.47Å; K241-L245 WeakPolarHBondContact O-CB 3.46Å; K241-L245 VanDerWaalsContact O-CG 3.26Å; K241-L245 WeakPolarHBondContact O-CG 3.16Å; K241-L245 PolarHBondContact O-N 2.65Å; I242-L245 PolarHBondContact O-N 3.29Å; I242-L245 VanDerWaalsContact O-N 3.17Å; L245-W375 PolarHBondContact O-NE1 2.96Å; L245-E378 HydrophobicContact CD2-CB 3.78Å
246R97.3Very high96.7Very high13 Ų1328.3 Ų28.35%0.04914%0.14CC..Hα-helixtrans-101.4-27.6-174.2-62.2-71.2179.2-162.14.4113.9T140 F141 A142 D148 F237 I242 K244 V293T140-R246 HydrophobicContact CG2-CB 4.03Å; T140-R246 WeakPolarHBondContact O-CD 3.32Å; T140-R246 PolarHBondContact O-NH1 2.78Å; F141-R246 VanDerWaalsContact C-NH1 3.28Å; F141-R246 VanDerWaalsContact CA-NH1 3.29Å; A142-R246 PolarHBondContact O-NH1 3.33Å; D148-R246 IonicContact OD1-CZ 3.33Å; D148-R246 IonicContact OD1-NH2 2.86Å; D148-R246 PolarHBondContact OD1-NH2 3.46Å; D148-R246 IonicContact OD2-NH2 2.63Å; F237-R246 HydrophobicContact CD1-CB 3.98Å; F237-R246 HydrophobicContact CD1-CG 4.27Å; F237-R246 HydrophobicContact CE1-CB 3.85Å; F237-R246 HydrophobicContact CE1-CG 4.17Å; I242-R246 HydrophobicContact CG2-CB 4.37Å; I242-R246 HydrophobicContact CG2-CG 3.57Å; I242-R246 WeakPolarHBondContact O-CB 3.32Å; I242-R246 VanDerWaalsContact O-CG 3.31Å; I242-R246 WeakPolarHBondContact O-CG 3.47Å; I242-R246 PolarHBondContact O-N 3Å; K244-R246 PolarHBondContact O-N 3.24Å; R246-V293 HydrophobicContact CB-CG2 4.37Å
247G97.7Very high96.6Very high2 Ų227.7 Ų27.72%0.02114%0.135CC..Hα-helixtrans-126-8.6-178.900000114.8R243 L249 L250 I251R243-G247 WeakPolarHBondContact O-CA 3.29Å; R243-G247 PolarHBondContact O-N 3.01Å; G247-L249 PolarHBondContact O-N 2.91Å; G247-L250 PolarHBondContact O-N 2.99Å; G247-I251 WeakPolarHBondContact O-CG2 3.08Å; G247-I251 PolarHBondContact O-N 3.15Å
248G98Very high96.5Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-61.2-39.2-17400000115R243 K244 I251 G252 Y370R243-G248 PolarHBondContact O-N 3.46Å; K244-G248 WeakPolarHBondContact O-CA 3.19Å; K244-G248 PolarHBondContact O-N 3.29Å; G248-I251 WeakPolarHBondContact O-CG2 3.4Å; G248-G252 PolarHBondContact O-N 2.76Å; G248-Y370 WeakPolarHBondContact CA-O 3.38Å
249L97.7Very high96.5Very high39 Ų3928.3 Ų28.320%0.20413%0.133CC..Hα-helixtrans-63.6-45.3175.4-72.3175.6000111.5S136 T137 G247 G252 E253 V372 W375S136-L249 VanDerWaalsContact CB-CD1 3.49Å; S136-L249 WeakPolarHBondContact O-CD1 3.19Å; T137-L249 HydrophobicContact CG2-CB 4.24Å; G247-L249 PolarHBondContact O-N 2.91Å; L249-G252 PolarHBondContact O-N 2.86Å; L249-E253 WeakPolarHBondContact O-CB 3.35Å; L249-E253 PolarHBondContact O-N 3.28Å; L249-V372 HydrophobicContact CD2-CB 4.07Å; L249-V372 HydrophobicContact CD2-CG1 4.22Å; L249-V372 HydrophobicContact CG-CB 4.37Å; L249-W375 HydrophobicContact CD1-CB 3.85Å; L249-W375 HydrophobicContact CD1-CD2 4.38Å; L249-W375 HydrophobicContact CD1-CG 3.67Å; L249-W375 HydrophobicContact CD2-CB 4.27Å; L249-W375 HydrophobicContact CG-CB 4.31Å; L249-W375 HydrophobicContact CG-CG 4.32Å
250L98.2Very high96.3Very high2 Ų227.9 Ų27.91%0.0113%0.132CC..Hα-helixtrans-68.1-47.9-178.5-178.756.8000112.3V18 T137 M138 G247 G252 E253 I254 Y284 N290 L294V18-L250 HydrophobicContact CG1-CD2 4.46Å; T137-L250 HydrophobicContact CG2-CB 4.21Å; T137-L250 HydrophobicContact CG2-CD1 4.3Å; M138-L250 HydrophobicContact SD-CD1 3.96Å; G247-L250 PolarHBondContact O-N 2.99Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-G252 PolarHBondContact O-N 2.87Å; L250-E253 PolarHBondContact O-N 3.17Å; L250-I254 HydrophobicContact CD1-CD1 4.15Å; L250-I254 HydrophobicContact CD1-CG1 4.46Å; L250-I254 HydrophobicContact CG-CD1 4.1Å; L250-I254 VanDerWaalsContact O-CG1 3.32Å; L250-I254 WeakPolarHBondContact O-CG1 3.42Å; L250-I254 PolarHBondContact O-N 3.28Å; L250-Y284 HydrophobicContact CD1-CD1 4.33Å; L250-Y284 HydrophobicContact CD1-CE1 4.46Å; L250-N290 HydrophobicContact CD2-CB 4.03Å; L250-L294 HydrophobicContact CD2-CD1 3.77Å; L250-L294 HydrophobicContact CD2-CD2 4.48Å; L250-L294 HydrophobicContact CD2-CG 4.2Å; L250-L294 HydrophobicContact CG-CD1 4.22Å; L250-L294 HydrophobicContact CG-CD2 4.37Å
251I98.2Very high96.1Very high0 Ų023.8 Ų23.80%011%0.112CC..Hα-helixtrans-64.8-38.1176.5-170.661.4000111.4G247 G248 E253 I254 V255 L294 I297 F318 F363 N367 F371G247-I251 WeakPolarHBondContact O-CG2 3.08Å; G247-I251 PolarHBondContact O-N 3.15Å; G248-I251 WeakPolarHBondContact O-CG2 3.4Å; I251-E253 VanDerWaalsContact C-N 3.35Å; I251-I254 PolarHBondContact O-N 3.08Å; I251-V255 HydrophobicContact CD1-CG2 4.43Å; I251-V255 HydrophobicContact CG1-CG2 4.47Å; I251-V255 WeakPolarHBondContact O-CG2 3.35Å; I251-V255 PolarHBondContact O-N 2.9Å; I251-L294 HydrophobicContact CB-CD2 3.9Å; I251-L294 HydrophobicContact CD1-CD2 4.07Å; I251-L294 HydrophobicContact CG1-CD2 4.49Å; I251-I297 HydrophobicContact CB-CD1 4.45Å; I251-I297 HydrophobicContact CB-CG2 4.39Å; I251-I297 HydrophobicContact CG1-CG2 4.06Å; I251-I297 HydrophobicContact CG2-CD1 4.08Å; I251-I297 HydrophobicContact CG2-CG2 4.37Å; I251-F318 HydrophobicContact CD1-CE1 4.17Å; I251-F318 HydrophobicContact CD1-CZ 4.48Å; I251-F363 HydrophobicContact CD1-CE1 4.42Å; I251-N367 HydrophobicContact CG1-CB 4.16Å; I251-F371 HydrophobicContact CG2-CD1 4.36Å; I251-F371 HydrophobicContact CG2-CE1 4.4Å
252G98Very high95.7Very high17 Ų1722 Ų2218%0.17511%0.105CC..Hα-helixtrans-60.9-43.5175.100000111.8G248 L249 L250 V255 N256G248-G252 PolarHBondContact O-N 2.76Å; L249-G252 PolarHBondContact O-N 2.86Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-G252 PolarHBondContact O-N 2.87Å; G252-V255 PolarHBondContact O-N 3.48Å; G252-N256 WeakPolarHBondContact O-CB 3.49Å; G252-N256 PolarHBondContact O-N 3.48Å
253E96.3Very high95.3Very high36 Ų3623 Ų2317%0.16811%0.114CC..Hα-helixtrans-62.6-46.5175.6-170.8-176.5146.700112.1T137 L249 L250 I251 V255 N256 R257 Y284T137-E253 WeakPolarHBondContact CG2-OE2 3.45Å; L249-E253 WeakPolarHBondContact O-CB 3.35Å; L249-E253 PolarHBondContact O-N 3.28Å; L250-E253 PolarHBondContact O-N 3.17Å; I251-E253 VanDerWaalsContact C-N 3.35Å; E253-V255 PolarHBondContact O-N 2.8Å; E253-N256 PolarHBondContact O-N 2.89Å; E253-R257 HydrophobicContact CG-CG 4.49Å; E253-R257 WeakPolarHBondContact O-CB 3.31Å; E253-R257 WeakPolarHBondContact O-CG 3.49Å; E253-R257 PolarHBondContact O-N 3.06Å; E253-R257 IonicContact OE1-CZ 2.71Å; E253-R257 IonicContact OE1-NE 3.56Å; E253-R257 PolarHBondContact OE1-NE 3.06Å; E253-R257 IonicContact OE1-NH1 2.83Å; E253-R257 IonicContact OE1-NH2 3.95Å; E253-R257 PolarHBondContact OE1-NH2 2.98Å; E253-Y284 WeakPolarHBondContact OE1-CE1 3.08Å; E253-Y284 PolarHBondContact OE1-OH 2.66Å
254I97.3Very high94.8Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-58-48.5178.7-71.9164.7000110.7V18 L250 I251 M258 Y284 L294 F318V18-I254 HydrophobicContact CG2-CD1 3.98Å; L250-I254 HydrophobicContact CD1-CD1 4.15Å; L250-I254 HydrophobicContact CD1-CG1 4.46Å; L250-I254 HydrophobicContact CG-CD1 4.1Å; L250-I254 VanDerWaalsContact O-CG1 3.32Å; L250-I254 WeakPolarHBondContact O-CG1 3.42Å; L250-I254 PolarHBondContact O-N 3.28Å; I251-I254 PolarHBondContact O-N 3.08Å; I254-M258 HydrophobicContact CG2-CE 3.8Å; I254-M258 WeakPolarHBondContact O-CG 3.42Å; I254-M258 PolarHBondContact O-N 2.82Å; I254-Y284 HydrophobicContact CG1-CE2 4.26Å; I254-L294 HydrophobicContact CD1-CD1 4.08Å; I254-L294 HydrophobicContact CD1-CD2 4.32Å; I254-F318 HydrophobicContact CD1-CD2 4.13Å; I254-F318 HydrophobicContact CD1-CE2 3.81Å; I254-F318 HydrophobicContact CD1-CZ 4.21Å; I254-F318 HydrophobicContact CG2-CB 4.04Å; I254-F318 HydrophobicContact CG2-CD1 3.96Å; I254-F318 HydrophobicContact CG2-CD2 4.13Å; I254-F318 HydrophobicContact CG2-CE1 4.43Å; I254-F318 HydrophobicContact CG2-CG 3.79Å
255V97.2Very high94.1Very high1 Ų121.1 Ų21.11%0.00611%0.11CC..Hα-helixtrans-66.3-45.8178.6175.90000111.5I251 G252 E253 R257 M258 R259 F363 E364 F371I251-V255 HydrophobicContact CD1-CG2 4.43Å; I251-V255 HydrophobicContact CG1-CG2 4.47Å; I251-V255 WeakPolarHBondContact O-CG2 3.35Å; I251-V255 PolarHBondContact O-N 2.9Å; G252-V255 PolarHBondContact O-N 3.48Å; E253-V255 PolarHBondContact O-N 2.8Å; V255-R257 VanDerWaalsContact C-N 3.34Å; V255-R257 PolarHBondContact O-N 3.49Å; V255-M258 HydrophobicContact CG2-CE 4.15Å; V255-M258 WeakPolarHBondContact O-CB 3.33Å; V255-M258 PolarHBondContact O-N 2.8Å; V255-M258 VanDerWaalsContact O-N 3.08Å; V255-R259 PolarHBondContact O-N 3.36Å; V255-F363 HydrophobicContact CG2-CD1 3.89Å; V255-F363 HydrophobicContact CG2-CE1 3.72Å; V255-E364 HydrophobicContact CG1-CB 3.86Å; V255-E364 HydrophobicContact CG1-CG 3.87Å; V255-F371 HydrophobicContact CB-CE1 4.33Å; V255-F371 HydrophobicContact CB-CZ 3.93Å; V255-F371 HydrophobicContact CG1-CZ 3.87Å; V255-F371 HydrophobicContact CG2-CE1 4.21Å; V255-F371 HydrophobicContact CG2-CZ 4.03Å
256N94.7Very high93.4Very high81 Ų8123.7 Ų23.743%0.43313%0.128SC..Hα-helixtrans-59.8-42.7178.9179.643.1000111.6G252 E253 M258 R259 Q260G252-N256 WeakPolarHBondContact O-CB 3.49Å; G252-N256 PolarHBondContact O-N 3.48Å; E253-N256 PolarHBondContact O-N 2.89Å; N256-M258 VanDerWaalsContact C-N 3.32Å; N256-M258 PolarHBondContact O-N 3.23Å; N256-R259 PolarHBondContact O-N 2.97Å; N256-Q260 PolarHBondContact ND2-NE2 2.89Å; N256-Q260 WeakPolarHBondContact O-CB 3.34Å; N256-Q260 VanDerWaalsContact O-CG 3.29Å; N256-Q260 WeakPolarHBondContact O-CG 3.38Å; N256-Q260 PolarHBondContact O-N 2.7Å; N256-Q260 PolarHBondContact OD1-NE2 3.45Å
257R93.4Very high92.3Very high24 Ų2424.9 Ų24.99%0.09115%0.145CC..Hα-helixtrans-63.7-35.1175.1-72.3-176.4-177-163.1-5.2112.7Y84 E253 V255 K261 I276 Y284Y84-R257 VanDerWaalsContact CD1-NH1 3.35Å; E253-R257 HydrophobicContact CG-CG 4.49Å; E253-R257 WeakPolarHBondContact O-CB 3.31Å; E253-R257 WeakPolarHBondContact O-CG 3.49Å; E253-R257 PolarHBondContact O-N 3.06Å; E253-R257 IonicContact OE1-CZ 2.71Å; E253-R257 IonicContact OE1-NE 3.56Å; E253-R257 PolarHBondContact OE1-NE 3.06Å; E253-R257 IonicContact OE1-NH1 2.83Å; E253-R257 IonicContact OE1-NH2 3.95Å; E253-R257 PolarHBondContact OE1-NH2 2.98Å; V255-R257 VanDerWaalsContact C-N 3.34Å; V255-R257 PolarHBondContact O-N 3.49Å; R257-K261 WeakPolarHBondContact O-CB 3.33Å; R257-K261 PolarHBondContact O-N 3.27Å; R257-K261 VanDerWaalsContact O-N 3.08Å; R257-I276 HydrophobicContact CB-CD1 4.27Å; R257-I276 WeakPolarHBondContact O-CD1 3.13Å; R257-Y284 WeakPolarHBondContact CD-OH 3.46Å; R257-Y284 PolarHBondContact NE-OH 3.02Å; R257-Y284 PolarHBondContact NH1-OH 3.39Å
258M94Very high90.9Very high0 Ų034.6 Ų34.60%018%0.181CC..Hα-helixtrans-64.1-45.7172.2-73.3-174.6-71.900111.7K16 I254 V255 N256 K261 Q262 L320 V330 I360 F363K16-M258 HydrophobicContact CD-CG 4.16Å; I254-M258 HydrophobicContact CG2-CE 3.8Å; I254-M258 WeakPolarHBondContact O-CG 3.42Å; I254-M258 PolarHBondContact O-N 2.82Å; V255-M258 HydrophobicContact CG2-CE 4.15Å; V255-M258 WeakPolarHBondContact O-CB 3.33Å; V255-M258 PolarHBondContact O-N 2.8Å; V255-M258 VanDerWaalsContact O-N 3.08Å; N256-M258 VanDerWaalsContact C-N 3.32Å; N256-M258 PolarHBondContact O-N 3.23Å; M258-K261 PolarHBondContact O-N 3.4Å; M258-Q262 PolarHBondContact O-N 3.38Å; M258-L320 HydrophobicContact CB-CD1 4.44Å; M258-L320 HydrophobicContact CB-CD2 4.18Å; M258-L320 HydrophobicContact CG-CB 4.19Å; M258-L320 HydrophobicContact CG-CD2 4.44Å; M258-L320 HydrophobicContact SD-CB 4.19Å; M258-L320 HydrophobicContact SD-CD1 4.3Å; M258-V330 HydrophobicContact CE-CG1 4.26Å; M258-V330 HydrophobicContact CE-CG2 4.23Å; M258-V330 HydrophobicContact SD-CG1 4.04Å; M258-V330 HydrophobicContact SD-CG2 3.79Å; M258-I360 HydrophobicContact CB-CD1 3.72Å; M258-F363 HydrophobicContact CE-CD1 4.12Å; M258-F363 HydrophobicContact CE-CE1 3.9Å
259R92.1Very high89.1Confident64 Ų6439 Ų3924%0.24220%0.204CC..Hα-helixtrans-64-43.4177.5-75.1-62.1-166.1178.611.2113.1V255 N256 K261 Q262 A263 I360 E364V255-R259 PolarHBondContact O-N 3.36Å; N256-R259 PolarHBondContact O-N 2.97Å; R259-K261 VanDerWaalsContact C-N 3.34Å; R259-K261 PolarHBondContact O-N 2.93Å; R259-Q262 PolarHBondContact O-N 2.87Å; R259-A263 WeakPolarHBondContact O-CB 3.36Å; R259-A263 PolarHBondContact O-N 2.89Å; R259-I360 HydrophobicContact CG-CD1 4.14Å; R259-E364 IonicContact CZ-OE2 2.78Å; R259-E364 IonicContact NE-OE2 3.2Å; R259-E364 PolarHBondContact NE-OE2 3.02Å; R259-E364 IonicContact NH2-OE2 3.84Å; R259-E364 PolarHBondContact NH2-OE2 3.31Å
260Q90.9Very high87.5Confident44 Ų4443.9 Ų43.921%0.20623%0.23CC..Hα-helixtrans-62.1-41176-73.3179.56.200111.7N256 A263 A264 L273 I276N256-Q260 PolarHBondContact ND2-NE2 2.89Å; N256-Q260 WeakPolarHBondContact O-CB 3.34Å; N256-Q260 VanDerWaalsContact O-CG 3.29Å; N256-Q260 WeakPolarHBondContact O-CG 3.38Å; N256-Q260 PolarHBondContact O-N 2.7Å; N256-Q260 PolarHBondContact OD1-NE2 3.45Å; Q260-A263 PolarHBondContact O-N 3.15Å; Q260-A264 WeakPolarHBondContact O-CB 3.42Å; Q260-A264 PolarHBondContact O-N 3.32Å; Q260-L273 HydrophobicContact CB-CD2 4.14Å; Q260-L273 HydrophobicContact CG-CD2 3.96Å; Q260-I276 HydrophobicContact CB-CD1 3.9Å; Q260-I276 HydrophobicContact CB-CG2 4.19Å
261K90.6Very high86Confident2 Ų254.8 Ų54.81%0.00927%0.271CS..Hα-helixtrans-61.5-50.1172.7-177.575.9173.8-1710111.4V14 R257 M258 R259 A263 A264 L265 I276 K277 L279V14-K261 HydrophobicContact CB-CB 4.37Å; V14-K261 HydrophobicContact CB-CD 4.22Å; V14-K261 HydrophobicContact CB-CG 3.88Å; V14-K261 HydrophobicContact CG1-CB 3.69Å; V14-K261 HydrophobicContact CG1-CD 4.39Å; V14-K261 HydrophobicContact CG1-CG 3.52Å; R257-K261 WeakPolarHBondContact O-CB 3.33Å; R257-K261 PolarHBondContact O-N 3.27Å; R257-K261 VanDerWaalsContact O-N 3.08Å; M258-K261 PolarHBondContact O-N 3.4Å; R259-K261 VanDerWaalsContact C-N 3.34Å; R259-K261 PolarHBondContact O-N 2.93Å; K261-A263 VanDerWaalsContact C-N 3.29Å; K261-A263 PolarHBondContact O-N 3.47Å; K261-A264 PolarHBondContact O-N 2.89Å; K261-A264 VanDerWaalsContact O-N 3.14Å; K261-L265 HydrophobicContact CD-CD1 4.19Å; K261-L265 HydrophobicContact CD-CG 4.34Å; K261-L265 HydrophobicContact CG-CD1 3.81Å; K261-L265 HydrophobicContact CG-CG 4.32Å; K261-L265 VanDerWaalsContact O-CG 3.29Å; K261-L265 WeakPolarHBondContact O-CG 3.5Å; K261-L265 PolarHBondContact O-N 3.19Å; K261-I276 HydrophobicContact CB-CG1 4.48Å; K261-K277 PolarHBondContact NZ-O 3.33Å; K261-L279 PolarHBondContact NZ-O 3.23Å
262Q89.1Confident84.7Confident41 Ų4158.8 Ų58.819%0.19230%0.299CS..Hα-helixtrans-55.1-45177.4-176.8-174.229.100111.9M258 R259 L265 S266 Y328M258-Q262 PolarHBondContact O-N 3.38Å; R259-Q262 PolarHBondContact O-N 2.87Å; Q262-L265 PolarHBondContact O-N 3.37Å; Q262-S266 WeakPolarHBondContact O-CB 3.49Å; Q262-S266 PolarHBondContact O-N 3.15Å; Q262-S266 PolarHBondContact O-OG 3.45Å; Q262-Y328 HydrophobicContact CG-CD1 4.48Å; Q262-Y328 HydrophobicContact CG-CD2 3.8Å; Q262-Y328 HydrophobicContact CG-CE1 4.39Å; Q262-Y328 HydrophobicContact CG-CE2 3.71Å; Q262-Y328 HydrophobicContact CG-CG 4.18Å; Q262-Y328 VanDerWaalsContact NE2-CD2 3.27Å
263A88.6Confident83.6Confident23 Ų2359 Ų5919%0.1930%0.296CS..Hα-helixtrans-65.4-39.7177.800000112.5R259 Q260 K261 L265 S266 R268 L273R259-A263 WeakPolarHBondContact O-CB 3.36Å; R259-A263 PolarHBondContact O-N 2.89Å; Q260-A263 PolarHBondContact O-N 3.15Å; K261-A263 VanDerWaalsContact C-N 3.29Å; K261-A263 PolarHBondContact O-N 3.47Å; A263-L265 VanDerWaalsContact C-N 3.35Å; A263-S266 WeakPolarHBondContact CA-OG 3.46Å; A263-S266 PolarHBondContact O-OG 3.44Å; A263-R268 PolarHBondContact O-N 2.89Å; A263-L273 HydrophobicContact CB-CD1 3.7Å
264A86.9Confident82.6Confident10 Ų1060.9 Ų60.98%0.08331%0.313CS..Hα-helixtrans-66-35.9177.100000112.7Q260 K261 L273 I276 K277Q260-A264 WeakPolarHBondContact O-CB 3.42Å; Q260-A264 PolarHBondContact O-N 3.32Å; K261-A264 PolarHBondContact O-N 2.89Å; K261-A264 VanDerWaalsContact O-N 3.14Å; A264-L273 HydrophobicContact CB-CB 4.07Å; A264-I276 HydrophobicContact CB-CG2 4.16Å; A264-K277 HydrophobicContact CB-CB 4.14Å; A264-K277 HydrophobicContact CB-CG 4.43Å
265L82.9Confident81.9Confident38 Ų3866.8 Ų66.820%0.19934%0.336CS..Hα-helixtrans-76.6-37.7179.3-67.5170.3000112.9E12 K261 Q262 A263 G267 Y328E12-L265 HydrophobicContact CB-CD1 3.81Å; E12-L265 HydrophobicContact CB-CD2 4.3Å; E12-L265 HydrophobicContact CG-CD1 4.38Å; E12-L265 HydrophobicContact CG-CD2 4.01Å; E12-L265 WeakPolarHBondContact O-CD1 3.36Å; K261-L265 HydrophobicContact CD-CD1 4.19Å; K261-L265 HydrophobicContact CD-CG 4.34Å; K261-L265 HydrophobicContact CG-CD1 3.81Å; K261-L265 HydrophobicContact CG-CG 4.32Å; K261-L265 VanDerWaalsContact O-CG 3.29Å; K261-L265 WeakPolarHBondContact O-CG 3.5Å; K261-L265 PolarHBondContact O-N 3.19Å; Q262-L265 PolarHBondContact O-N 3.37Å; A263-L265 VanDerWaalsContact C-N 3.35Å; L265-G267 PolarHBondContact O-N 3.21Å; L265-Y328 HydrophobicContact CD1-CE1 4.24Å
266S81.5Confident81.4Confident60 Ų6066.7 Ų66.742%0.4234%0.335SS..THydrogen-bonded Turntrans-73.61.417756.60000114.6Q262 A263 R268Q262-S266 WeakPolarHBondContact O-CB 3.49Å; Q262-S266 PolarHBondContact O-N 3.15Å; Q262-S266 PolarHBondContact O-OG 3.45Å; A263-S266 WeakPolarHBondContact CA-OG 3.46Å; A263-S266 PolarHBondContact O-OG 3.44Å; S266-R268 PolarHBondContact O-N 3.21Å
267G74.8Confident81Confident38 Ų3867.9 Ų67.939%0.39234%0.336SS..THydrogen-bonded Turntrans71.18.4179.900000114.8L265 N269L265-G267 PolarHBondContact O-N 3.21Å; G267-N269 PolarHBondContact O-N 2.93Å
268R68.4Low80.7Confident206 Ų20671.9 Ų71.978%0.77736%0.36SS*.SBendtrans-79.1-5.8-170.1-71.8-175.2177.8-179.30.4115.6A263 S266A263-R268 PolarHBondContact O-N 2.89Å; S266-R268 PolarHBondContact O-N 3.21Å
269N60.8Low80.6Confident93 Ų9372.6 Ų72.650%0.49736%0.364SS..  trans-155.573-178.4-92-38.6000113.3G267 R271 L273G267-N269 PolarHBondContact O-N 2.93Å; N269-R271 PolarHBondContact O-N 3.44Å; N269-R271 VanDerWaalsContact O-N 3.13Å; N269-L273 HydrophobicContact CB-CD1 3.83Å; N269-L273 HydrophobicContact CB-CG 4.31Å
270L64.2Low80.7Confident141 Ų14171 Ų7174%0.73836%0.358SS*.THydrogen-bonded Turntrans-73.52.8-160.5-80.4158000118.4
271R67.3Low80.9Confident231 Ų23168.9 Ų68.987%0.87235%0.348SS*.THydrogen-bonded Turntrans-123.6-46173.2-77.3-170.3-173.9-179.12.8115.3N269 L273 S274N269-R271 PolarHBondContact O-N 3.44Å; N269-R271 VanDerWaalsContact O-N 3.13Å; R271-L273 VanDerWaalsContact C-N 3.28Å; R271-L273 PolarHBondContact O-N 3.45Å; R271-S274 PolarHBondContact O-OG 3.07Å
272S69.4Low81.2Confident84 Ų8468.8 Ų68.859%0.58735%0.348SS*.THydrogen-bonded Turntrans-72-19.4-174.653.50000114.1
273L76.2Confident81.6Confident21 Ų2166.9 Ų66.911%0.1134%0.339CS..THydrogen-bonded Turntrans-112.514.7-175.4-57.2-179.8000113.6Q260 A263 A264 N269 R271 W275 I276 K277Q260-L273 HydrophobicContact CB-CD2 4.14Å; Q260-L273 HydrophobicContact CG-CD2 3.96Å; A263-L273 HydrophobicContact CB-CD1 3.7Å; A264-L273 HydrophobicContact CB-CB 4.07Å; N269-L273 HydrophobicContact CB-CD1 3.83Å; N269-L273 HydrophobicContact CB-CG 4.31Å; R271-L273 VanDerWaalsContact C-N 3.28Å; R271-L273 PolarHBondContact O-N 3.45Å; L273-W275 VanDerWaalsContact C-N 3.27Å; L273-W275 PolarHBondContact O-N 3.43Å; L273-I276 HydrophobicContact CB-CG2 4.13Å; L273-I276 VanDerWaalsContact O-CG2 3.32Å; L273-I276 WeakPolarHBondContact O-CG2 3.25Å; L273-I276 PolarHBondContact O-N 3.38Å; L273-K277 PolarHBondContact O-N 3.46Å
274S74.3Confident82.1Confident77 Ų7765.8 Ų65.854%0.53833%0.33SS..Hα-helixtrans-61.5-35.9-179.759.10000112.5R271 I276 K277R271-S274 PolarHBondContact O-OG 3.07Å; S274-I276 PolarHBondContact O-N 2.68Å; S274-K277 WeakPolarHBondContact O-CB 3.31Å; S274-K277 PolarHBondContact O-N 3.35Å
275W82.3Confident82.7Confident123 Ų12365.3 Ų65.347%0.46633%0.326SS..Hα-helixtrans-62.9-39.1-178.870.2-90.2000112.9L273 L279 F282L273-W275 VanDerWaalsContact C-N 3.27Å; L273-W275 PolarHBondContact O-N 3.43Å; W275-L279 HydrophobicContact CE3-CD1 3.61Å; W275-L279 HydrophobicContact CZ3-CD1 3.53Å; W275-F282 HydrophobicContact CZ3-CE1 4.2Å; W275-F282 HydrophobicContact CZ3-CZ 4.23Å
276I87.9Confident83.4Confident0 Ų063.5 Ų63.50%032%0.316CS..Hα-helixtrans-84-17.9-179.5-167.7159.4000112.8R257 Q260 K261 A264 L273 S274 N278 L279 F282R257-I276 HydrophobicContact CB-CD1 4.27Å; R257-I276 WeakPolarHBondContact O-CD1 3.13Å; Q260-I276 HydrophobicContact CB-CD1 3.9Å; Q260-I276 HydrophobicContact CB-CG2 4.19Å; K261-I276 HydrophobicContact CB-CG1 4.48Å; A264-I276 HydrophobicContact CB-CG2 4.16Å; L273-I276 HydrophobicContact CB-CG2 4.13Å; L273-I276 VanDerWaalsContact O-CG2 3.32Å; L273-I276 WeakPolarHBondContact O-CG2 3.25Å; L273-I276 PolarHBondContact O-N 3.38Å; S274-I276 PolarHBondContact O-N 2.68Å; I276-N278 PolarHBondContact O-N 2.99Å; I276-L279 HydrophobicContact CG1-CB 4.44Å; I276-L279 PolarHBondContact O-N 3.05Å; I276-L279 VanDerWaalsContact O-N 3.1Å; I276-F282 HydrophobicContact CD1-CE2 4.03Å; I276-F282 HydrophobicContact CD1-CZ 3.66Å; I276-F282 HydrophobicContact CG1-CE2 4.21Å; I276-F282 HydrophobicContact CG1-CZ 3.85Å
277K84.7Confident84.2Confident105 Ų10561.4 Ų61.446%0.45730%0.3SS..Hα-helixtrans-55.1-42.6-179.2-170.4-179.3179.2-177.90111.6K261 A264 L273 S274K261-K277 PolarHBondContact NZ-O 3.33Å; A264-K277 HydrophobicContact CB-CB 4.14Å; A264-K277 HydrophobicContact CB-CG 4.43Å; L273-K277 PolarHBondContact O-N 3.46Å; S274-K277 WeakPolarHBondContact O-CB 3.31Å; S274-K277 PolarHBondContact O-N 3.35Å
278N87.5Confident85.3Confident109 Ų10960.5 Ų60.558%0.58329%0.286SS*.SBendtrans-87-15.6-179.3-67.5-9.6000113.6Q82 I276 K280Q82-N278 WeakPolarHBondContact CG-O 3.27Å; I276-N278 PolarHBondContact O-N 2.99Å; N278-K280 PolarHBondContact O-N 2.78Å
279L92.2Very high86.7Confident15 Ų1552.1 Ų52.18%0.07926%0.257CS..  trans-72.8130177.2-67.1178.9000110.8Q82 K261 W275 I276 F282Q82-L279 CarbonylContact O-C 3.5Å; Q82-L279 WeakPolarHBondContact O-CA 3.45Å; K261-L279 PolarHBondContact NZ-O 3.23Å; W275-L279 HydrophobicContact CE3-CD1 3.61Å; W275-L279 HydrophobicContact CZ3-CD1 3.53Å; I276-L279 HydrophobicContact CG1-CB 4.44Å; I276-L279 PolarHBondContact O-N 3.05Å; I276-L279 VanDerWaalsContact O-N 3.1Å; L279-F282 HydrophobicContact CB-CE2 4.12Å; L279-F282 HydrophobicContact CB-CZ 3.92Å; L279-F282 HydrophobicContact CD1-CE1 3.55Å; L279-F282 HydrophobicContact CD1-CE2 4.44Å; L279-F282 HydrophobicContact CD1-CZ 3.46Å; L279-F282 VanDerWaalsContact CD1-CZ 3.46Å; L279-F282 HydrophobicContact CG-CZ 4.34Å
280K93.6Very high88.5Confident30 Ų3047.7 Ų47.713%0.1323%0.233CC..  trans-117-22.6179.8-60.9-170.6-173.1166.90112.4V14 K15 L73 M74 Q82 N278V14-K280 CarbonylContact C-O 3.5Å; V14-K280 WeakPolarHBondContact CA-O 3.34Å; K15-K280 PolarHBondContact N-O 3.01Å; L73-K280 HydrophobicContact CD1-CB 4.36Å; L73-K280 HydrophobicContact CD1-CD 4.05Å; L73-K280 HydrophobicContact CD2-CB 4.22Å; L73-K280 HydrophobicContact CG-CB 4.1Å; L73-K280 HydrophobicContact CG-CD 4.07Å; L73-K280 WeakPolarHBondContact O-CD 3.48Å; L73-K280 WeakPolarHBondContact O-CE 3.41Å; L73-K280 PolarHBondContact O-NZ 2.91Å; M74-K280 HydrophobicContact CB-CD 4.28Å; M74-K280 HydrophobicContact CE-CB 3.72Å; Q82-K280 HydrophobicContact CB-CB 4.29Å; Q82-K280 HydrophobicContact CB-CG 4.2Å; Q82-K280 PolarHBondContact O-N 3.38Å; Q82-K280 VanDerWaalsContact OE1-CD 3.28Å; Q82-K280 VanDerWaalsContact OE1-CE 3.31Å; Q82-K280 VanDerWaalsContact OE1-NZ 3.13Å; N278-K280 PolarHBondContact O-N 2.78Å
281Y95.9Very high90.1Very high0 Ų041 Ų410%020%0.198CC..EExtended strand (participates in β ladder)trans-140.2129.6-178.4179.7-140.3000112.8K15 S17 L63 Y67 Q82 I83 Y84 F104 V283K15-Y281 HydrophobicContact CB-CD2 4Å; K15-Y281 WeakPolarHBondContact O-CA 3.3Å; S17-Y281 VanDerWaalsContact CB-OH 3.24Å; S17-Y281 WeakPolarHBondContact CB-OH 3.28Å; S17-Y281 WeakPolarHBondContact OG-CE2 3.43Å; S17-Y281 PolarHBondContact OG-OH 2.88Å; S17-Y281 VanDerWaalsContact OG-OH 3.09Å; L63-Y281 WeakPolarHBondContact CD1-OH 3.37Å; Y67-Y281 HydrophobicContact CD2-CD1 4.42Å; Y67-Y281 HydrophobicContact CD2-CD2 4.22Å; Y67-Y281 HydrophobicContact CD2-CE1 4.32Å; Y67-Y281 HydrophobicContact CD2-CE2 4.15Å; Y67-Y281 HydrophobicContact CD2-CG 4.37Å; Y67-Y281 AromaticContact CE2-CD2 3.86Å; Y67-Y281 HydrophobicContact CE2-CD2 3.86Å; Y67-Y281 HydrophobicContact CE2-CE1 4.32Å; Y67-Y281 AromaticContact CE2-CE2 3.48Å; Y67-Y281 HydrophobicContact CE2-CE2 3.48Å; Y67-Y281 VanDerWaalsContact CE2-CE2 3.48Å; Y67-Y281 HydrophobicContact CE2-CG 4.44Å; Y67-Y281 AromaticContact CE2-CZ 3.72Å; Q82-Y281 PolarHBondContact O-N 3.43Å; Q82-Y281 VanDerWaalsContact O-N 3.11Å; I83-Y281 VanDerWaalsContact CA-O 3.25Å; I83-Y281 WeakPolarHBondContact CA-O 3.32Å; I83-Y281 HydrophobicContact CG2-CD1 3.97Å; I83-Y281 HydrophobicContact CG2-CG 4.48Å; Y84-Y281 PolarHBondContact N-O 3.38Å; F104-Y281 HydrophobicContact CD2-CE1 4.25Å; F104-Y281 HydrophobicContact CE1-CD1 4.19Å; F104-Y281 HydrophobicContact CE1-CE1 4.43Å; F104-Y281 AromaticContact CE2-CD1 3.98Å; F104-Y281 HydrophobicContact CE2-CD1 3.98Å; F104-Y281 AromaticContact CE2-CE1 3.65Å; F104-Y281 HydrophobicContact CE2-CE1 3.65Å; F104-Y281 AromaticContact CZ-CD1 3.58Å; F104-Y281 HydrophobicContact CZ-CD1 3.58Å; F104-Y281 AromaticContact CZ-CE1 3.74Å; F104-Y281 HydrophobicContact CZ-CE1 3.74Å; Y281-V283 HydrophobicContact CD1-CG2 3.85Å; Y281-V283 HydrophobicContact CD2-CG2 4.47Å; Y281-V283 HydrophobicContact CE1-CG2 3.29Å; Y281-V283 HydrophobicContact CE2-CG2 3.97Å; Y281-V283 HydrophobicContact CG-CG2 4.4Å
282F97Very high91.5Very high0 Ų030 Ų300%016%0.157CC..EExtended strand (participates in β ladder)trans-114.8135.7173.3-64.9-88.9000110.7V14 K15 K16 S17 Y84 W275 I276 L279 Y284V14-F282 HydrophobicContact CG2-CD2 3.7Å; V14-F282 HydrophobicContact CG2-CE2 3.69Å; K15-F282 PolarHBondContact O-N 2.75Å; K16-F282 CarbonylContact C-O 3.52Å; K16-F282 VanDerWaalsContact CA-O 3.23Å; K16-F282 WeakPolarHBondContact CA-O 3.46Å; K16-F282 HydrophobicContact CG-CB 3.9Å; K16-F282 HydrophobicContact CG-CD2 4.29Å; K16-F282 HydrophobicContact CG-CG 4.47Å; S17-F282 PolarHBondContact N-O 2.84Å; Y84-F282 AromaticContact CD1-CD1 3.79Å; Y84-F282 HydrophobicContact CD1-CD1 3.79Å; Y84-F282 HydrophobicContact CD1-CE1 4.2Å; Y84-F282 HydrophobicContact CG-CD1 4.06Å; Y84-F282 HydrophobicContact CG-CE1 4.22Å; Y84-F282 CarbonylContact O-C 3.57Å; Y84-F282 WeakPolarHBondContact O-CA 3.34Å; W275-F282 HydrophobicContact CZ3-CE1 4.2Å; W275-F282 HydrophobicContact CZ3-CZ 4.23Å; I276-F282 HydrophobicContact CD1-CE2 4.03Å; I276-F282 HydrophobicContact CD1-CZ 3.66Å; I276-F282 HydrophobicContact CG1-CE2 4.21Å; I276-F282 HydrophobicContact CG1-CZ 3.85Å; L279-F282 HydrophobicContact CB-CE2 4.12Å; L279-F282 HydrophobicContact CB-CZ 3.92Å; L279-F282 HydrophobicContact CD1-CE1 3.55Å; L279-F282 HydrophobicContact CD1-CE2 4.44Å; L279-F282 HydrophobicContact CD1-CZ 3.46Å; L279-F282 VanDerWaalsContact CD1-CZ 3.46Å; L279-F282 HydrophobicContact CG-CZ 4.34Å; F282-Y284 HydrophobicContact CB-CE2 4.2Å
283V98.3Very high92.9Very high0 Ų026.1 Ų26.10%013%0.129CC..EExtended strand (participates in β ladder)trans-119.2130.8-178-1780000109.5F19 Y84 V85 H86 M101 Y281F19-V283 HydrophobicContact CD1-CG1 4.12Å; F19-V283 HydrophobicContact CE1-CG1 3.22Å; F19-V283 HydrophobicContact CZ-CG1 3.72Å; Y84-V283 PolarHBondContact O-N 2.92Å; V85-V283 HydrophobicContact CB-CB 4.25Å; V85-V283 HydrophobicContact CG1-CB 3.9Å; V85-V283 HydrophobicContact CG1-CG1 3.93Å; V85-V283 HydrophobicContact CG2-CB 4.06Å; V85-V283 HydrophobicContact CG2-CG2 4.27Å; H86-V283 PolarHBondContact N-O 3.47Å; M101-V283 HydrophobicContact CE-CG2 4.16Å; Y281-V283 HydrophobicContact CD1-CG2 3.85Å; Y281-V283 HydrophobicContact CD2-CG2 4.47Å; Y281-V283 HydrophobicContact CE1-CG2 3.29Å; Y281-V283 HydrophobicContact CE2-CG2 3.97Å; Y281-V283 HydrophobicContact CG-CG2 4.4Å
284Y98.7Very high93.9Very high0 Ų025.1 Ų25.10%012%0.124CC..EExtended strand (participates in β ladder)trans-119.8104.2174.8-62-81.9000109K16 S17 V18 F19 H86 M138 L250 E253 I254 R257 F282K16-Y284 HydrophobicContact CB-CE2 4.39Å; K16-Y284 HydrophobicContact CG-CE2 4.41Å; S17-Y284 PolarHBondContact O-N 3.21Å; V18-Y284 WeakPolarHBondContact CA-O 3.44Å; V18-Y284 HydrophobicContact CG2-CD2 3.97Å; V18-Y284 HydrophobicContact CG2-CG 4.29Å; F19-Y284 PolarHBondContact N-O 3.39Å; H86-Y284 HydrophobicContact CB-CD1 4.16Å; H86-Y284 HydrophobicContact CB-CE1 4.44Å; H86-Y284 CarbonylContact O-C 3.59Å; H86-Y284 VanDerWaalsContact O-CA 3.28Å; H86-Y284 WeakPolarHBondContact O-CA 3.39Å; M138-Y284 HydrophobicContact SD-CD1 3.87Å; M138-Y284 HydrophobicContact SD-CG 4.47Å; L250-Y284 HydrophobicContact CD1-CD1 4.33Å; L250-Y284 HydrophobicContact CD1-CE1 4.46Å; E253-Y284 WeakPolarHBondContact OE1-CE1 3.08Å; E253-Y284 PolarHBondContact OE1-OH 2.66Å; I254-Y284 HydrophobicContact CG1-CE2 4.26Å; R257-Y284 WeakPolarHBondContact CD-OH 3.46Å; R257-Y284 PolarHBondContact NE-OH 3.02Å; R257-Y284 PolarHBondContact NH1-OH 3.39Å; F282-Y284 HydrophobicContact CB-CE2 4.2Å
285S98.8Very high95Very high0 Ų022 Ų220%010%0.102CC..EExtended strand (participates in β ladder)trans-89.1112.1174.5-176.90000109.9F19 H86 S87 S88 T93 M138F19-S285 WeakPolarHBondContact CE2-OG 2.89Å; H86-S285 PolarHBondContact O-N 2.94Å; S87-S285 WeakPolarHBondContact CA-O 3.44Å; S88-S285 PolarHBondContact N-O 3Å; T93-S285 PolarHBondContact O-OG 2.89Å; M138-S285 WeakPolarHBondContact CE-O 3.18Å
286G98.4Very high95.7Very high0 Ų016.6 Ų16.60%08%0.081CC..EExtended strand (participates in β ladder)trans-145.1-142.3-173.600000113.2F19 H21 T93F19-G286 CarbonylContact O-C 3.53Å; F19-G286 PolarHBondContact O-N 2.83Å; H21-G286 PolarHBondContact N-O 3.17Å; T93-G286 VanDerWaalsContact CG2-O 3.28Å; T93-G286 WeakPolarHBondContact CG2-O 3.31Å
287H98.2Very high96.2Very high16 Ų1616.6 Ų16.67%0.0748%0.081CC..  trans-120.5167.3-168.7-53.3-78.4000111H21 S88 F90 L289 N290H21-H287 AromaticContact CD2-ND1 3.75Å; S88-H287 PolarHBondContact OG-NE2 3.2Å; F90-H287 AromaticContact CD2-CE1 3.51Å; F90-H287 AromaticContact CD2-NE2 3.44Å; F90-H287 WeakPolarHBondContact CD2-NE2 3.46Å; F90-H287 AromaticContact CE2-CE1 3.88Å; F90-H287 AromaticContact CE2-NE2 3.65Å; H287-L289 PolarHBondContact O-N 3.39Å; H287-N290 PolarHBondContact N-OD1 3.26Å; H287-N290 PolarHBondContact O-N 2.76Å; H287-N290 VanDerWaalsContact O-N 3.17Å
288D97.6Very high96.8Very high20 Ų2011.6 Ų11.611%0.1076%0.06CC..Hα-helixtrans-49.9-44.7167.533.129.6000111.6R20 N290 I291 L292 M309 P310R20-D288 HydrophobicContact CG-CB 4.38Å; R20-D288 IonicContact CZ-OD2 3.1Å; R20-D288 IonicContact NE-OD2 3.64Å; R20-D288 PolarHBondContact NE-OD2 3.29Å; R20-D288 VanDerWaalsContact NE-OD2 3.11Å; R20-D288 IonicContact NH2-OD2 2.66Å; R20-D288 PolarHBondContact NH2-OD2 2.88Å; D288-N290 VanDerWaalsContact C-N 3.29Å; D288-N290 PolarHBondContact O-N 3.41Å; D288-I291 PolarHBondContact O-N 3.01Å; D288-L292 PolarHBondContact O-N 3.17Å; D288-M309 HydrophobicContact CB-CE 3.54Å; D288-M309 VanDerWaalsContact CG-CE 3.44Å; D288-P310 HydrophobicContact CB-CB 4.47Å
289L97.6Very high97.2Very high29 Ų297 Ų715%0.1524%0.038CC..Hα-helixtrans-60.8-33.1-179.9-65.2171.6000113.5T140 F141 L236 F237 H287 I291 V293 M309T140-L289 HydrophobicContact CG2-CB 4.09Å; F141-L289 HydrophobicContact CD2-CD1 3.46Å; F141-L289 VanDerWaalsContact CD2-CD1 3.46Å; F141-L289 HydrophobicContact CE2-CD1 3.38Å; F141-L289 HydrophobicContact CE2-CD2 3.99Å; F141-L289 HydrophobicContact CE2-CG 4.34Å; F141-L289 HydrophobicContact CZ-CD1 4.37Å; F141-L289 HydrophobicContact CZ-CD2 4.39Å; L236-L289 HydrophobicContact CD1-CD2 4.02Å; F237-L289 HydrophobicContact CE2-CD2 4.28Å; F237-L289 HydrophobicContact CZ-CB 4.39Å; F237-L289 HydrophobicContact CZ-CD2 3.96Å; H287-L289 PolarHBondContact O-N 3.39Å; L289-I291 VanDerWaalsContact C-N 3.33Å; L289-V293 WeakPolarHBondContact O-CB 3.26Å; L289-V293 VanDerWaalsContact O-CG1 3.31Å; L289-V293 WeakPolarHBondContact O-CG1 3.17Å; L289-V293 PolarHBondContact O-N 3.1Å; L289-M309 HydrophobicContact CD2-CE 3.69Å; L289-M309 HydrophobicContact CG-CE 4.14Å
290N98.3Very high97.2Very high1 Ų18.7 Ų8.71%0.0055%0.049CC..Hα-helixtrans-65.5-39.9175.4-60.8107000110.9V18 M138 T140 L250 H287 D288 V293 L294V18-N290 HydrophobicContact CG1-CB 4.1Å; M138-N290 PolarHBondContact O-ND2 2.98Å; M138-N290 PolarHBondContact O-OD1 3.24Å; T140-N290 PolarHBondContact OG1-ND2 3.33Å; L250-N290 HydrophobicContact CD2-CB 4.03Å; H287-N290 PolarHBondContact N-OD1 3.26Å; H287-N290 PolarHBondContact O-N 2.76Å; H287-N290 VanDerWaalsContact O-N 3.17Å; D288-N290 VanDerWaalsContact C-N 3.29Å; D288-N290 PolarHBondContact O-N 3.41Å; N290-V293 WeakPolarHBondContact O-CG1 3.49Å; N290-L294 WeakPolarHBondContact O-CD1 3.07Å; N290-L294 WeakPolarHBondContact O-CG 3.04Å; N290-L294 PolarHBondContact O-N 2.72Å
291I98.3Very high97Very high0 Ų08.9 Ų8.90%05%0.052CC..Hα-helixtrans-71.9-47.6177.1-65.5173.7000109.8V18 R20 D288 L289 V293 L294 L295 P310 S314 L316 L334V18-I291 HydrophobicContact CG1-CG1 4.39Å; R20-I291 HydrophobicContact CB-CD1 4.18Å; D288-I291 PolarHBondContact O-N 3.01Å; L289-I291 VanDerWaalsContact C-N 3.33Å; I291-V293 PolarHBondContact O-N 3.36Å; I291-L294 PolarHBondContact O-N 3.4Å; I291-L294 VanDerWaalsContact O-N 3.14Å; I291-L295 HydrophobicContact CG2-CD1 3.89Å; I291-L295 HydrophobicContact CG2-CG 4.11Å; I291-L295 WeakPolarHBondContact O-CG 3.46Å; I291-L295 PolarHBondContact O-N 2.67Å; I291-P310 HydrophobicContact CB-CB 4.01Å; I291-P310 HydrophobicContact CB-CG 3.81Å; I291-P310 HydrophobicContact CD1-CB 4.3Å; I291-P310 HydrophobicContact CG2-CB 3.85Å; I291-P310 HydrophobicContact CG2-CG 3.62Å; I291-S314 WeakPolarHBondContact CD1-O 3.27Å; I291-S314 VanDerWaalsContact CD1-OG 3.24Å; I291-S314 WeakPolarHBondContact CD1-OG 3.24Å; I291-L316 HydrophobicContact CG1-CB 4.45Å; I291-L316 HydrophobicContact CG2-CB 4.44Å; I291-L334 HydrophobicContact CG2-CD1 4.26Å
292L97.5Very high96.2Very high1 Ų113.8 Ų13.81%0.0058%0.079CC..Hα-helixtrans-58.7-47.4-178179.260.9000112L236 F237 D288 L294 L295 E296 I307 M309 P310L236-L292 HydrophobicContact CD1-CD2 3.95Å; F237-L292 HydrophobicContact CD2-CD2 4.22Å; F237-L292 HydrophobicContact CD2-CG 3.97Å; F237-L292 HydrophobicContact CE2-CB 4.11Å; F237-L292 HydrophobicContact CE2-CD2 3.9Å; F237-L292 HydrophobicContact CE2-CG 3.85Å; D288-L292 PolarHBondContact O-N 3.17Å; L292-L294 VanDerWaalsContact C-N 3.27Å; L292-L294 PolarHBondContact O-N 2.8Å; L292-L295 PolarHBondContact O-N 2.98Å; L292-E296 PolarHBondContact O-N 2.95Å; L292-I307 HydrophobicContact CD1-CG2 3.83Å; L292-M309 HydrophobicContact CD2-CE 4.42Å; L292-M309 HydrophobicContact CD2-SD 3.67Å; L292-P310 HydrophobicContact CB-CG 4.21Å
293V97.6Very high95.7Very high1 Ų115.4 Ų15.41%0.00610%0.095CC..Hα-helixtrans-63.8-34.4179750000112T140 F237 R246 L289 N290 I291 I297T140-V293 HydrophobicContact CG2-CG1 4.49Å; F237-V293 HydrophobicContact CB-CG2 4.26Å; F237-V293 HydrophobicContact CD1-CB 4.3Å; F237-V293 HydrophobicContact CD1-CG2 3.87Å; F237-V293 HydrophobicContact CD2-CB 3.73Å; F237-V293 HydrophobicContact CD2-CG2 3.98Å; F237-V293 HydrophobicContact CE1-CB 4.25Å; F237-V293 HydrophobicContact CE1-CG2 4.17Å; F237-V293 HydrophobicContact CE2-CB 3.65Å; F237-V293 HydrophobicContact CE2-CG2 4.26Å; F237-V293 HydrophobicContact CG-CB 4.05Å; F237-V293 HydrophobicContact CG-CG2 3.76Å; F237-V293 HydrophobicContact CZ-CB 3.92Å; F237-V293 HydrophobicContact CZ-CG2 4.35Å; R246-V293 HydrophobicContact CB-CG2 4.37Å; L289-V293 WeakPolarHBondContact O-CB 3.26Å; L289-V293 VanDerWaalsContact O-CG1 3.31Å; L289-V293 WeakPolarHBondContact O-CG1 3.17Å; L289-V293 PolarHBondContact O-N 3.1Å; N290-V293 WeakPolarHBondContact O-CG1 3.49Å; I291-V293 PolarHBondContact O-N 3.36Å; V293-I297 HydrophobicContact CG2-CD1 4.2Å; V293-I297 WeakPolarHBondContact O-CB 3.37Å; V293-I297 VanDerWaalsContact O-CG1 3.24Å; V293-I297 WeakPolarHBondContact O-CG1 3.35Å; V293-I297 PolarHBondContact O-N 2.69Å
294L98.2Very high95.2Very high0 Ų017.9 Ų17.90%011%0.11CC..Hα-helixtrans-69.8-41.1174.9-71.2173.2000111.6V18 L250 I251 I254 N290 I291 L292 E296 I297 L298 L316 F318V18-L294 HydrophobicContact CB-CD1 4.33Å; V18-L294 HydrophobicContact CG1-CD1 4.25Å; V18-L294 HydrophobicContact CG2-CD1 3.98Å; L250-L294 HydrophobicContact CD2-CD1 3.77Å; L250-L294 HydrophobicContact CD2-CD2 4.48Å; L250-L294 HydrophobicContact CD2-CG 4.2Å; L250-L294 HydrophobicContact CG-CD1 4.22Å; L250-L294 HydrophobicContact CG-CD2 4.37Å; I251-L294 HydrophobicContact CB-CD2 3.9Å; I251-L294 HydrophobicContact CD1-CD2 4.07Å; I251-L294 HydrophobicContact CG1-CD2 4.49Å; I254-L294 HydrophobicContact CD1-CD1 4.08Å; I254-L294 HydrophobicContact CD1-CD2 4.32Å; N290-L294 WeakPolarHBondContact O-CD1 3.07Å; N290-L294 WeakPolarHBondContact O-CG 3.04Å; N290-L294 PolarHBondContact O-N 2.72Å; I291-L294 PolarHBondContact O-N 3.4Å; I291-L294 VanDerWaalsContact O-N 3.14Å; L292-L294 VanDerWaalsContact C-N 3.27Å; L292-L294 PolarHBondContact O-N 2.8Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-E296 PolarHBondContact O-N 2.86Å; L294-I297 PolarHBondContact O-N 3.17Å; L294-L298 VanDerWaalsContact O-CB 3.32Å; L294-L298 WeakPolarHBondContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.49Å; L294-L298 PolarHBondContact O-N 3.01Å; L294-L316 HydrophobicContact CB-CD2 3.63Å; L294-L316 HydrophobicContact CD1-CD2 3.89Å; L294-L316 HydrophobicContact CG-CD2 4.43Å; L294-F318 HydrophobicContact CD1-CE2 4.11Å; L294-F318 HydrophobicContact CD1-CZ 4.2Å; L294-F318 HydrophobicContact CD2-CZ 4.45Å
295L97.6Very high94.9Very high13 Ų1324.6 Ų24.67%0.06814%0.142CC..Hα-helixtrans-60.5-42.8175.5-68.2176.7000111.7I291 L292 L298 G299 V300 L316 L334 L346I291-L295 HydrophobicContact CG2-CD1 3.89Å; I291-L295 HydrophobicContact CG2-CG 4.11Å; I291-L295 WeakPolarHBondContact O-CG 3.46Å; I291-L295 PolarHBondContact O-N 2.67Å; L292-L295 PolarHBondContact O-N 2.98Å; L295-L298 PolarHBondContact O-N 3.2Å; L295-G299 PolarHBondContact O-N 3.43Å; L295-G299 VanDerWaalsContact O-N 3.11Å; L295-V300 HydrophobicContact CB-CB 4.4Å; L295-V300 HydrophobicContact CD2-CB 4.27Å; L295-V300 HydrophobicContact CD2-CG1 4.25Å; L295-V300 HydrophobicContact CD2-CG2 4.35Å; L295-V300 PolarHBondContact O-N 2.91Å; L295-L316 HydrophobicContact CD2-CD1 4.15Å; L295-L334 HydrophobicContact CD1-CD2 4.35Å; L295-L334 HydrophobicContact CD2-CD2 4.38Å; L295-L346 HydrophobicContact CD2-CD1 3.55Å
296E96.4Very high94.8Very high9 Ų926.7 Ų26.74%0.04216%0.155CC..Hα-helixtrans-66.9-42.7174.3-76.8-154.7-131.800112.6F237 N238 R243 L292 L294 L298 G299 T301F237-E296 HydrophobicContact CB-CG 4.49Å; F237-E296 WeakPolarHBondContact CB-OE1 3.29Å; F237-E296 PolarHBondContact N-OE1 3.11Å; N238-E296 PolarHBondContact N-OE2 2.7Å; R243-E296 IonicContact NH1-OE2 3.01Å; L292-E296 PolarHBondContact O-N 2.95Å; L294-E296 VanDerWaalsContact C-N 3.34Å; L294-E296 PolarHBondContact O-N 2.86Å; E296-L298 VanDerWaalsContact C-N 3.26Å; E296-L298 PolarHBondContact O-N 2.04Å; E296-G299 PolarHBondContact O-N 3.21Å; E296-T301 WeakPolarHBondContact CG-OG1 3.31Å
297I97.5Very high94.6Very high0 Ų027.7 Ų27.70%016%0.16CC..Hα-helixtrans-58.5-41.1174-78.3168.1000110.6R243 I251 V293 L294 G299 R366 N367 Y370R243-I297 HydrophobicContact CB-CD1 4.5Å; R243-I297 HydrophobicContact CB-CG1 3.91Å; R243-I297 HydrophobicContact CG-CG1 4.32Å; I251-I297 HydrophobicContact CB-CD1 4.45Å; I251-I297 HydrophobicContact CB-CG2 4.39Å; I251-I297 HydrophobicContact CG1-CG2 4.06Å; I251-I297 HydrophobicContact CG2-CD1 4.08Å; I251-I297 HydrophobicContact CG2-CG2 4.37Å; V293-I297 HydrophobicContact CG2-CD1 4.2Å; V293-I297 WeakPolarHBondContact O-CB 3.37Å; V293-I297 VanDerWaalsContact O-CG1 3.24Å; V293-I297 WeakPolarHBondContact O-CG1 3.35Å; V293-I297 PolarHBondContact O-N 2.69Å; L294-I297 PolarHBondContact O-N 3.17Å; I297-G299 PolarHBondContact O-N 3.12Å; I297-R366 PolarHBondContact O-NH1 3.07Å; I297-R366 PolarHBondContact O-NH2 3.18Å; I297-N367 VanDerWaalsContact CG2-OD1 3.31Å; I297-N367 WeakPolarHBondContact CG2-OD1 3.42Å; I297-Y370 HydrophobicContact CB-CD2 4.47Å; I297-Y370 HydrophobicContact CG1-CD1 4.38Å; I297-Y370 HydrophobicContact CG1-CD2 4.3Å; I297-Y370 HydrophobicContact CG1-CG 4.25Å; I297-Y370 HydrophobicContact CG2-CD2 3.71Å; I297-Y370 HydrophobicContact CG2-CE2 4.04Å; I297-Y370 HydrophobicContact CG2-CG 4.33Å
298L97.1Very high94.4Very high0 Ų032.4 Ų32.40%018%0.182CC..THydrogen-bonded Turntrans-74.3-7.1178-66.6171.6000113.5L294 L295 E296 V300 L316 F318 V332 V348 T349 F363 R366L294-L298 VanDerWaalsContact O-CB 3.32Å; L294-L298 WeakPolarHBondContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.49Å; L294-L298 PolarHBondContact O-N 3.01Å; L295-L298 PolarHBondContact O-N 3.2Å; E296-L298 VanDerWaalsContact C-N 3.26Å; E296-L298 PolarHBondContact O-N 2.04Å; L298-V300 VanDerWaalsContact C-N 3.28Å; L298-V300 HydrophobicContact CB-CG2 4Å; L298-L316 HydrophobicContact CD1-CD2 4.46Å; L298-F318 HydrophobicContact CD1-CE1 3.92Å; L298-F318 HydrophobicContact CD1-CZ 3.97Å; L298-F318 HydrophobicContact CD2-CE1 4.22Å; L298-V332 HydrophobicContact CD1-CG1 3.95Å; L298-V348 HydrophobicContact CB-CG1 4.31Å; L298-V348 HydrophobicContact CB-CG2 4.4Å; L298-V348 HydrophobicContact CD2-CG1 3.84Å; L298-V348 HydrophobicContact CD2-CG2 4.02Å; L298-T349 PolarHBondContact O-N 3.43Å; L298-F363 HydrophobicContact CD2-CE2 3.87Å; L298-F363 HydrophobicContact CD2-CZ 3.81Å; L298-R366 VanDerWaalsContact CA-NH2 3.35Å; L298-R366 PolarHBondContact O-NH2 2.76Å
299G95.6Very high94.3Very high12 Ų1232.4 Ų32.412%0.12418%0.182CC..THydrogen-bonded Turntrans65.333.5-179.600000112.4L295 E296 I297 N302 T349L295-G299 PolarHBondContact O-N 3.43Å; L295-G299 VanDerWaalsContact O-N 3.11Å; E296-G299 PolarHBondContact O-N 3.21Å; I297-G299 PolarHBondContact O-N 3.12Å; G299-N302 WeakPolarHBondContact CA-OD1 3.38Å; G299-N302 PolarHBondContact O-OD1 3.12Å; G299-T349 PolarHBondContact O-OG1 2.97Å
300V93.4Very high94.2Very high51 Ų5131.7 Ų31.731%0.30918%0.179SC..SBendtrans-83.2-36.3173.5176.50000110L295 L298 L346L295-V300 HydrophobicContact CB-CB 4.4Å; L295-V300 HydrophobicContact CD2-CB 4.27Å; L295-V300 HydrophobicContact CD2-CG1 4.25Å; L295-V300 HydrophobicContact CD2-CG2 4.35Å; L295-V300 PolarHBondContact O-N 2.91Å; L298-V300 VanDerWaalsContact C-N 3.28Å; L298-V300 HydrophobicContact CB-CG2 4Å; V300-L346 HydrophobicContact CG1-CD2 4.1Å; V300-L346 HydrophobicContact CG2-CB 4.4Å; V300-L346 HydrophobicContact CG2-CD1 4.32Å
301T89Confident94.1Very high33 Ų3333 Ų3320%0.20219%0.193CC..SBendtrans-122.5122.2176.452.70000108.9E296E296-T301 WeakPolarHBondContact CG-OG1 3.31Å
302N79.8Confident94.1Very high104 Ų10433.4 Ų33.456%0.55619%0.194SC*.  trans-139152.5-172.9-52.73.4000109.5G299G299-N302 WeakPolarHBondContact CA-OD1 3.38Å; G299-N302 PolarHBondContact O-OD1 3.12Å
303G86.5Confident94.1Very high33 Ų3333.3 Ų33.334%0.3419%0.194SC..SBendtrans86-158.1172.300000113.3N238N238-G303 PolarHBondContact ND2-O 3.35Å
304T88.2Confident94.2Very high52 Ų5233.3 Ų33.332%0.31919%0.194SC..SBendtrans-113.211.6-171.354.30000113E160 F235E160-T304 HydrophobicContact CB-CG2 4.45Å; E160-T304 HydrophobicContact CG-CG2 4.15Å; F235-T304 HydrophobicContact CE1-CG2 3.75Å; F235-T304 HydrophobicContact CZ-CG2 3.7Å
305E91.9Very high94.2Very high142 Ų14233.3 Ų33.366%0.66419%0.194SC*.SBendtrans-69.5142.1174.4-68.5-59.3144.600110.3A234 I307A234-E305 WeakPolarHBondContact CB-O 3.28Å; E305-I307 VanDerWaalsContact O-CG1 3.31Å; E305-I307 WeakPolarHBondContact O-CG1 3.28Å; E305-I307 PolarHBondContact O-N 3.26Å
306P95.4Very high94.2Very high43 Ų4332.7 Ų32.728%0.27919%0.191SC..  trans-52.2132179.8-26.534000113.5Y227 Q230 A231Y227-P306 HydrophobicContact CD2-CG 4.4Å; Y227-P306 HydrophobicContact CE2-CG 3.75Å; Q230-P306 HydrophobicContact CB-CB 3.75Å; Q230-P306 WeakPolarHBondContact O-CA 3.34Å; A231-P306 HydrophobicContact CB-CB 4.45Å; A231-P306 HydrophobicContact CB-CG 4.19Å
307I95.3Very high94.3Very high21 Ų2132.3 Ų32.311%0.10819%0.189CC..  trans-117.3123.3-178.2-53-179.5000110.1Q230 N233 A234 L292 E305Q230-I307 WeakPolarHBondContact CA-O 3.35Å; Q230-I307 PolarHBondContact O-N 3.44Å; N233-I307 HydrophobicContact CB-CB 4.3Å; N233-I307 WeakPolarHBondContact CB-O 3.35Å; N233-I307 PolarHBondContact ND2-O 3.15Å; N233-I307 VanDerWaalsContact ND2-O 3.15Å; A234-I307 HydrophobicContact CB-CD1 4.25Å; A234-I307 HydrophobicContact CB-CG1 4.1Å; L292-I307 HydrophobicContact CD1-CG2 3.83Å; E305-I307 VanDerWaalsContact O-CG1 3.31Å; E305-I307 WeakPolarHBondContact O-CG1 3.28Å; E305-I307 PolarHBondContact O-N 3.26Å
308E93.9Very high94.3Very high115 Ų11532.3 Ų32.354%0.53719%0.189SC..PPolyproline II helixtrans-70.2135.5169.8-17458.9-149.300110.5Q230Q230-E308 WeakPolarHBondContact CG-OE2 3.48Å; Q230-E308 PolarHBondContact NE2-OE2 3Å
309M94.9Very high94.3Very high20 Ų2032.4 Ų32.410%0.09919%0.189CC..PPolyproline II helixtrans-65.2141.1174.7-73-61.3-81.700110.1N233 D288 L289 L292 G311N233-M309 HydrophobicContact CB-SD 4.4Å; N233-M309 WeakPolarHBondContact ND2-CG 3.45Å; D288-M309 HydrophobicContact CB-CE 3.54Å; D288-M309 VanDerWaalsContact CG-CE 3.44Å; L289-M309 HydrophobicContact CD2-CE 3.69Å; L289-M309 HydrophobicContact CG-CE 4.14Å; L292-M309 HydrophobicContact CD2-CE 4.42Å; L292-M309 HydrophobicContact CD2-SD 3.67Å; M309-G311 PolarHBondContact O-N 3.35Å; M309-G311 VanDerWaalsContact O-N 3.1Å
310P96.2Very high94.3Very high15 Ų1531.8 Ų31.810%0.09718%0.183CC..PPolyproline II helixtrans-50.8122.3174.3-28.836.2000111.2R20 D288 I291 L292 S314R20-P310 WeakPolarHBondContact CD-O 3.27Å; R20-P310 PolarHBondContact NH1-O 3.31Å; D288-P310 HydrophobicContact CB-CB 4.47Å; I291-P310 HydrophobicContact CB-CB 4.01Å; I291-P310 HydrophobicContact CB-CG 3.81Å; I291-P310 HydrophobicContact CD1-CB 4.3Å; I291-P310 HydrophobicContact CG2-CB 3.85Å; I291-P310 HydrophobicContact CG2-CG 3.62Å; L292-P310 HydrophobicContact CB-CG 4.21Å; P310-S314 WeakPolarHBondContact CB-OG 3.14Å
311G95.9Very high94.3Very high28 Ų2830.6 Ų30.629%0.28917%0.173SC..PPolyproline II helixtrans-59.1162.5-175.700000113R20 M309 C313 S314R20-G311 VanDerWaalsContact CD-O 3.26Å; R20-G311 WeakPolarHBondContact CD-O 3.34Å; R20-G311 VanDerWaalsContact NH1-C 3.29Å; M309-G311 PolarHBondContact O-N 3.35Å; M309-G311 VanDerWaalsContact O-N 3.1Å; G311-C313 PolarHBondContact O-N 3.36Å; G311-S314 WeakPolarHBondContact O-CB 3.41Å; G311-S314 PolarHBondContact O-N 2.96Å; G311-S314 PolarHBondContact O-OG 3.24Å
312F97.9Very high94.3Very high8 Ų833.7 Ų33.74%0.03518%0.181CC..THydrogen-bonded Turntrans-50.2143.2174.1-68.9-56.9000110.2H21 G22 H23 R24 M196 E200 S314 G337 P338H21-F312 AromaticContact CE1-CE1 3.82Å; G22-F312 WeakPolarHBondContact O-CD1 3.24Å; H23-F312 HydrophobicContact CB-CD2 4.13Å; H23-F312 HydrophobicContact CB-CE2 4.49Å; H23-F312 HydrophobicContact CB-CG 4.32Å; H23-F312 AromaticContact CD2-CD2 3.61Å; H23-F312 AromaticContact CD2-CE2 3.37Å; H23-F312 WeakPolarHBondContact CD2-CE2 3.36Å; R24-F312 HydrophobicContact CG-CE1 3.84Å; R24-F312 HydrophobicContact CG-CZ 4.15Å; M196-F312 HydrophobicContact SD-CE2 4.13Å; E200-F312 WeakPolarHBondContact OE2-CE2 3.12Å; F312-S314 PolarHBondContact O-N 2.99Å; F312-G337 WeakPolarHBondContact O-CA 3.05Å; F312-P338 WeakPolarHBondContact O-CD 3.41Å
313C98.2Very high94.6Very high0 Ų030.8 Ų30.80%017%0.166CC..THydrogen-bonded Turntrans56.517.1179.1-159.80000114.9R20 H21 Q55 L59 G311 R335R20-C313 WeakPolarHBondContact O-CA 3.45Å; H21-C313 PolarHBondContact O-N 3.23Å; Q55-C313 VanDerWaalsContact C-SG 3.6Å; Q55-C313 HydrophobicContact CB-CB 4.05Å; Q55-C313 PolarHBondContact O-SG 2.92Å; L59-C313 WeakPolarHBondContact CB-SG 3.41Å; L59-C313 VanDerWaalsContact CD2-SG 3.53Å; G311-C313 PolarHBondContact O-N 3.36Å; C313-R335 PolarHBondContact O-NH1 2.94Å
314S98.4Very high94.5Very high1 Ų136.5 Ų36.51%0.00719%0.188CC..  trans-60.9146.9165.7510000109.9F19 R20 I291 P310 G311 F312 R335 E336F19-S314 CarbonylContact C-O 3.49Å; F19-S314 WeakPolarHBondContact CA-O 3.48Å; F19-S314 VanDerWaalsContact CB-O 3.24Å; F19-S314 WeakPolarHBondContact CB-O 3.47Å; R20-S314 PolarHBondContact N-O 2.9Å; I291-S314 WeakPolarHBondContact CD1-O 3.27Å; I291-S314 VanDerWaalsContact CD1-OG 3.24Å; I291-S314 WeakPolarHBondContact CD1-OG 3.24Å; P310-S314 WeakPolarHBondContact CB-OG 3.14Å; G311-S314 WeakPolarHBondContact O-CB 3.41Å; G311-S314 PolarHBondContact O-N 2.96Å; G311-S314 PolarHBondContact O-OG 3.24Å; F312-S314 PolarHBondContact O-N 2.99Å; S314-R335 CarbonylContact C-O 3.6Å; S314-R335 WeakPolarHBondContact CA-O 3.49Å; S314-R335 WeakPolarHBondContact CB-O 3.27Å; S314-E336 WeakPolarHBondContact CB-O 3.36Å
315C98.8Very high94.5Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-142.2118.2-173.8-175.20000110.4V18 F19 L59 R335 F343V18-C315 WeakPolarHBondContact O-CA 3.24Å; F19-C315 HydrophobicContact CB-CB 4.05Å; L59-C315 HydrophobicContact CD1-CB 4.05Å; L59-C315 HydrophobicContact CD2-CB 3.99Å; C315-R335 HydrophobicContact CB-CB 4.33Å; C315-R335 PolarHBondContact N-O 3.48Å; C315-R335 PolarHBondContact O-N 2.86Å; C315-F343 HydrophobicContact CB-CE1 4Å; C315-F343 HydrophobicContact CB-CZ 4.43Å
316L98.5Very high94.2Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-98.1120.4174.2-177.566.2000108.8S17 V18 I291 L294 L295 L298 F318 V332 Y333 L334 L346S17-L316 WeakPolarHBondContact CA-O 2.97Å; V18-L316 PolarHBondContact N-O 3.5Å; V18-L316 PolarHBondContact O-N 3.07Å; I291-L316 HydrophobicContact CG1-CB 4.45Å; I291-L316 HydrophobicContact CG2-CB 4.44Å; L294-L316 HydrophobicContact CB-CD2 3.63Å; L294-L316 HydrophobicContact CD1-CD2 3.89Å; L294-L316 HydrophobicContact CG-CD2 4.43Å; L295-L316 HydrophobicContact CD2-CD1 4.15Å; L298-L316 HydrophobicContact CD1-CD2 4.46Å; L316-F318 HydrophobicContact CD2-CE2 3.58Å; L316-F318 HydrophobicContact CD2-CZ 3.66Å; L316-F318 HydrophobicContact CG-CD2 4.45Å; L316-F318 HydrophobicContact CG-CE2 3.7Å; L316-F318 HydrophobicContact CG-CZ 4.1Å; L316-V332 HydrophobicContact CD1-CG1 3.65Å; L316-V332 HydrophobicContact CG-CG1 4.43Å; L316-Y333 CarbonylContact C-O 3.47Å; L316-Y333 WeakPolarHBondContact CA-O 3.33Å; L316-L334 HydrophobicContact CB-CD1 4.42Å; L316-L334 HydrophobicContact CD1-CB 4.42Å; L316-L334 HydrophobicContact CD1-CD1 4.45Å; L316-L346 HydrophobicContact CD1-CD1 3.49Å; L316-L346 VanDerWaalsContact CD1-CD1 3.49Å
317T98.3Very high93.9Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-106137.7179.271.80000111.5K16 Y67 V332 Y333 F343K16-T317 CarbonylContact O-C 3.59Å; K16-T317 WeakPolarHBondContact O-CA 3.49Å; Y67-T317 WeakPolarHBondContact OH-CG2 3.32Å; T317-V332 VanDerWaalsContact O-CA 3.27Å; T317-V332 WeakPolarHBondContact O-CA 3.42Å; T317-V332 WeakPolarHBondContact O-CG1 3.4Å; T317-Y333 PolarHBondContact N-O 3.03Å; T317-Y333 PolarHBondContact O-N 3.45Å; T317-Y333 VanDerWaalsContact O-N 3.08Å; T317-Y333 WeakPolarHBondContact OG1-CB 3.14Å; T317-F343 HydrophobicContact CG2-CD1 3.72Å; T317-F343 HydrophobicContact CG2-CE1 3.49Å; T317-F343 VanDerWaalsContact CG2-CE1 3.49Å; T317-F343 HydrophobicContact CG2-CZ 4.48Å
318F98Very high93.8Very high0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-116.6114.5169.8-61.5-102.3000107.9K16 V18 I251 I254 L294 L298 L316 V332 F363K16-F318 HydrophobicContact CB-CB 4.32Å; K16-F318 HydrophobicContact CD-CB 4.47Å; K16-F318 PolarHBondContact N-O 3.49Å; K16-F318 PolarHBondContact O-N 2.89Å; V18-F318 HydrophobicContact CG2-CE2 4.39Å; I251-F318 HydrophobicContact CD1-CE1 4.17Å; I251-F318 HydrophobicContact CD1-CZ 4.48Å; I254-F318 HydrophobicContact CD1-CD2 4.13Å; I254-F318 HydrophobicContact CD1-CE2 3.81Å; I254-F318 HydrophobicContact CD1-CZ 4.21Å; I254-F318 HydrophobicContact CG2-CB 4.04Å; I254-F318 HydrophobicContact CG2-CD1 3.96Å; I254-F318 HydrophobicContact CG2-CD2 4.13Å; I254-F318 HydrophobicContact CG2-CE1 4.43Å; I254-F318 HydrophobicContact CG2-CG 3.79Å; L294-F318 HydrophobicContact CD1-CE2 4.11Å; L294-F318 HydrophobicContact CD1-CZ 4.2Å; L294-F318 HydrophobicContact CD2-CZ 4.45Å; L298-F318 HydrophobicContact CD1-CE1 3.92Å; L298-F318 HydrophobicContact CD1-CZ 3.97Å; L298-F318 HydrophobicContact CD2-CE1 4.22Å; L316-F318 HydrophobicContact CD2-CE2 3.58Å; L316-F318 HydrophobicContact CD2-CZ 3.66Å; L316-F318 HydrophobicContact CG-CD2 4.45Å; L316-F318 HydrophobicContact CG-CE2 3.7Å; L316-F318 HydrophobicContact CG-CZ 4.1Å; F318-V332 HydrophobicContact CD1-CG1 4.48Å; F318-V332 HydrophobicContact CD1-CG2 3.72Å; F318-V332 HydrophobicContact CE1-CG1 4.36Å; F318-V332 HydrophobicContact CE1-CG2 4.05Å; F318-V332 HydrophobicContact CG-CG2 4.49Å; F318-F363 AromaticContact CD1-CZ 3.99Å; F318-F363 HydrophobicContact CD1-CZ 3.99Å; F318-F363 HydrophobicContact CE1-CZ 4Å
319E96.2Very high93.8Very high2 Ų229.7 Ų29.71%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-114.3116.9-172.8-55.4-163-170.800110.2K15 W321 V330 K331 Y333K15-E319 HydrophobicContact CD-CB 3.66Å; K15-E319 HydrophobicContact CD-CG 3.67Å; K15-E319 IonicContact NZ-OE2 3.65Å; K15-E319 PolarHBondContact NZ-OE2 2.88Å; E319-W321 VanDerWaalsContact CB-NE1 3.31Å; E319-W321 VanDerWaalsContact O-CD1 3.31Å; E319-W321 WeakPolarHBondContact OE2-CZ2 3.48Å; E319-W321 PolarHBondContact OE2-NE1 3.04Å; E319-V330 CarbonylContact O-C 3.58Å; E319-V330 WeakPolarHBondContact O-CA 3.39Å; E319-K331 HydrophobicContact CB-CB 4.48Å; E319-K331 PolarHBondContact N-O 3.46Å; E319-K331 PolarHBondContact O-N 3.15Å; E319-Y333 HydrophobicContact CG-CD2 4.2Å; E319-Y333 HydrophobicContact CG-CE2 4.21Å
320L95.4Very high93.9Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-89.1121.5171.2-172.269.7000109.3S13 V14 M258 Y328 V330 I360S13-L320 WeakPolarHBondContact CA-O 3.3Å; S13-L320 WeakPolarHBondContact CB-O 3.45Å; V14-L320 HydrophobicContact CG1-CB 3.75Å; V14-L320 HydrophobicContact CG1-CD2 3.7Å; V14-L320 HydrophobicContact CG1-CG 4.36Å; V14-L320 PolarHBondContact N-O 2.81Å; V14-L320 PolarHBondContact O-N 2.95Å; M258-L320 HydrophobicContact CB-CD1 4.44Å; M258-L320 HydrophobicContact CB-CD2 4.18Å; M258-L320 HydrophobicContact CG-CB 4.19Å; M258-L320 HydrophobicContact CG-CD2 4.44Å; M258-L320 HydrophobicContact SD-CB 4.19Å; M258-L320 HydrophobicContact SD-CD1 4.3Å; L320-Y328 HydrophobicContact CD1-CD1 4.31Å; L320-Y328 HydrophobicContact CD2-CD1 3.87Å; L320-Y328 HydrophobicContact CD2-CE1 4.42Å; L320-Y328 HydrophobicContact CG-CD1 3.95Å; L320-V330 HydrophobicContact CD1-CG2 3.94Å; L320-I360 HydrophobicContact CD1-CB 4.21Å; L320-I360 HydrophobicContact CD1-CD1 3.82Å; L320-I360 HydrophobicContact CD1-CG1 4.32Å; L320-I360 HydrophobicContact CD2-CD1 4.41Å
321W92.7Very high93.9Very high26 Ų2629.5 Ų29.510%0.09816%0.161CC..EExtended strand (participates in β ladder)trans-112.8150.7178.5-63.487.9000110.1D9 K15 F71 E319 Y328 E329 K331D9-W321 HydrophobicContact CB-CZ3 4.43Å; D9-W321 VanDerWaalsContact CG-CZ3 3.48Å; D9-W321 WeakPolarHBondContact OD1-CZ3 3.31Å; K15-W321 VanDerWaalsContact NZ-CH2 3.26Å; F71-W321 HydrophobicContact CD1-CH2 4.2Å; F71-W321 HydrophobicContact CD2-CH2 4Å; F71-W321 HydrophobicContact CD2-CZ2 4.43Å; F71-W321 AromaticContact CE1-CH2 3.95Å; F71-W321 HydrophobicContact CE1-CH2 3.95Å; F71-W321 HydrophobicContact CE1-CZ2 4.43Å; F71-W321 AromaticContact CE2-CH2 3.74Å; F71-W321 HydrophobicContact CE2-CH2 3.74Å; F71-W321 AromaticContact CE2-CZ2 3.78Å; F71-W321 HydrophobicContact CE2-CZ2 3.78Å; F71-W321 HydrophobicContact CG-CH2 4.23Å; F71-W321 AromaticContact CZ-CH2 3.68Å; F71-W321 HydrophobicContact CZ-CH2 3.68Å; F71-W321 AromaticContact CZ-CZ2 3.76Å; F71-W321 HydrophobicContact CZ-CZ2 3.76Å; E319-W321 VanDerWaalsContact CB-NE1 3.31Å; E319-W321 VanDerWaalsContact O-CD1 3.31Å; E319-W321 WeakPolarHBondContact OE2-CZ2 3.48Å; E319-W321 PolarHBondContact OE2-NE1 3.04Å; W321-Y328 CarbonylContact O-C 3.6Å; W321-Y328 WeakPolarHBondContact O-CA 3.49Å; W321-E329 HydrophobicContact CB-CG 3.71Å; W321-E329 PolarHBondContact N-O 3.09Å; W321-E329 PolarHBondContact O-N 3.45Å; W321-K331 HydrophobicContact CG-CD 4.29Å
322R90Very high94Very high97 Ų9728.3 Ų28.337%0.36615%0.148SC..EExtended strand (participates in β ladder)trans-107.4124.1171.5-177.5-179179.8-165.59.7107.9E12 T327 Y328E12-R322 IonicContact OE1-NH1 3.05Å; E12-R322 PolarHBondContact OE1-NH1 3.3Å; E12-R322 WeakPolarHBondContact OE2-CD 3.39Å; E12-R322 IonicContact OE2-CZ 3.21Å; E12-R322 IonicContact OE2-NE 3.48Å; E12-R322 PolarHBondContact OE2-NE 3.46Å; E12-R322 IonicContact OE2-NH1 2.64Å; E12-R322 PolarHBondContact OE2-NH1 3.26Å; R322-T327 CarbonylContact C-O 3.59Å; R322-T327 WeakPolarHBondContact CA-O 3.07Å; R322-Y328 HydrophobicContact CB-CD1 4.26Å; R322-Y328 HydrophobicContact CB-CE1 4.08Å; R322-Y328 HydrophobicContact CG-CE1 4.34Å
323N86.3Confident94Very high44 Ų4430 Ų3024%0.23515%0.154CC..  trans-80.6160.6176.2-65.2-30.6000110.8N325 G326 T327 E329N323-N325 WeakPolarHBondContact CB-OD1 3.43Å; N323-N325 PolarHBondContact O-N 2.94Å; N323-N325 VanDerWaalsContact O-N 3.14Å; N323-G326 WeakPolarHBondContact O-CA 3.2Å; N323-G326 PolarHBondContact O-N 2.57Å; N323-T327 PolarHBondContact N-O 2.8Å; N323-T327 PolarHBondContact ND2-OG1 3.31Å; N323-E329 WeakPolarHBondContact OD1-CG 3.31Å; N323-E329 PolarHBondContact OD1-OE1 2.66Å; N323-E329 VanDerWaalsContact OD1-OE1 3.06Å
324D84.8Confident94Very high152 Ų15231 Ų3181%0.81316%0.16SC*.THydrogen-bonded Turntrans-56-32.8178.4-61.6-19.7000113.2G326D324-G326 PolarHBondContact O-N 3.32Å
325N87.4Confident94Very high120 Ų12031.2 Ų31.264%0.64216%0.16SC*.THydrogen-bonded Turntrans-76.52.8176.2696.5000113.9N323 T327N323-N325 WeakPolarHBondContact CB-OD1 3.43Å; N323-N325 PolarHBondContact O-N 2.94Å; N323-N325 VanDerWaalsContact O-N 3.14Å; N325-T327 VanDerWaalsContact C-N 3.32Å; N325-T327 PolarHBondContact O-N 2.83Å; N325-T327 VanDerWaalsContact OD1-CB 3.29Å; N325-T327 WeakPolarHBondContact OD1-CB 3.33Å; N325-T327 WeakPolarHBondContact OD1-CG2 3.42Å; N325-T327 PolarHBondContact OD1-N 2.54Å; N325-T327 PolarHBondContact OD1-OG1 2.78Å
326G86.1Confident93.8Very high28 Ų2836 Ų3629%0.28918%0.182SC..SBendtrans81.9-0.8-179.300000115.5N323 D324N323-G326 WeakPolarHBondContact O-CA 3.2Å; N323-G326 PolarHBondContact O-N 2.57Å; D324-G326 PolarHBondContact O-N 3.32Å
327T89.3Confident93.7Very high49 Ų4936.3 Ų36.330%0.30119%0.186SC..  trans-74.4165.2172.364.70000111.2R322 N323 N325R322-T327 CarbonylContact C-O 3.59Å; R322-T327 WeakPolarHBondContact CA-O 3.07Å; N323-T327 PolarHBondContact N-O 2.8Å; N323-T327 PolarHBondContact ND2-OG1 3.31Å; N325-T327 VanDerWaalsContact C-N 3.32Å; N325-T327 PolarHBondContact O-N 2.83Å; N325-T327 VanDerWaalsContact OD1-CB 3.29Å; N325-T327 WeakPolarHBondContact OD1-CB 3.33Å; N325-T327 WeakPolarHBondContact OD1-CG2 3.42Å; N325-T327 PolarHBondContact OD1-N 2.54Å; N325-T327 PolarHBondContact OD1-OG1 2.78Å
328Y92.9Very high93.5Very high13 Ų1338.4 Ų38.45%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-121.7133.8-179.1-69.7-103.3000110.6Q262 L265 L320 W321 R322 E359 I360Q262-Y328 HydrophobicContact CG-CD1 4.48Å; Q262-Y328 HydrophobicContact CG-CD2 3.8Å; Q262-Y328 HydrophobicContact CG-CE1 4.39Å; Q262-Y328 HydrophobicContact CG-CE2 3.71Å; Q262-Y328 HydrophobicContact CG-CG 4.18Å; Q262-Y328 VanDerWaalsContact NE2-CD2 3.27Å; L265-Y328 HydrophobicContact CD1-CE1 4.24Å; L320-Y328 HydrophobicContact CD1-CD1 4.31Å; L320-Y328 HydrophobicContact CD2-CD1 3.87Å; L320-Y328 HydrophobicContact CD2-CE1 4.42Å; L320-Y328 HydrophobicContact CG-CD1 3.95Å; W321-Y328 CarbonylContact O-C 3.6Å; W321-Y328 WeakPolarHBondContact O-CA 3.49Å; R322-Y328 HydrophobicContact CB-CD1 4.26Å; R322-Y328 HydrophobicContact CB-CE1 4.08Å; R322-Y328 HydrophobicContact CG-CE1 4.34Å; Y328-E359 WeakPolarHBondContact O-CA 3.42Å; Y328-I360 PolarHBondContact O-N 3.42Å
329E94.2Very high93.3Very high21 Ų2146.5 Ų46.510%0.09824%0.243CC..EExtended strand (participates in β ladder)trans-123.3143.9-179.565.4175.7-178.500111.8W321 N323 K331 G357 C358W321-E329 HydrophobicContact CB-CG 3.71Å; W321-E329 PolarHBondContact N-O 3.09Å; W321-E329 PolarHBondContact O-N 3.45Å; N323-E329 WeakPolarHBondContact OD1-CG 3.31Å; N323-E329 PolarHBondContact OD1-OE1 2.66Å; N323-E329 VanDerWaalsContact OD1-OE1 3.06Å; E329-K331 WeakPolarHBondContact OE1-CE 3.31Å; E329-K331 IonicContact OE1-NZ 2.86Å; E329-K331 PolarHBondContact OE1-NZ 3.07Å; E329-G357 WeakPolarHBondContact OE2-CA 3.31Å; E329-G357 PolarHBondContact OE2-N 3.02Å; E329-C358 CarbonylContact C-O 3.5Å; E329-C358 VanDerWaalsContact CA-O 3.28Å; E329-C358 WeakPolarHBondContact CA-O 3.2Å
330V96.4Very high93.2Very high4 Ų447.4 Ų47.42%0.02425%0.25CC..EExtended strand (participates in β ladder)trans-104.2124.7178.9-176.20000108.5M258 E319 L320 V332 G357 C358 I360 F363M258-V330 HydrophobicContact CE-CG1 4.26Å; M258-V330 HydrophobicContact CE-CG2 4.23Å; M258-V330 HydrophobicContact SD-CG1 4.04Å; M258-V330 HydrophobicContact SD-CG2 3.79Å; E319-V330 CarbonylContact O-C 3.58Å; E319-V330 WeakPolarHBondContact O-CA 3.39Å; L320-V330 HydrophobicContact CD1-CG2 3.94Å; V330-V332 HydrophobicContact CG1-CG2 4.28Å; V330-G357 WeakPolarHBondContact O-CA 3.38Å; V330-C358 PolarHBondContact N-O 2.97Å; V330-C358 PolarHBondContact O-N 3.25Å; V330-I360 HydrophobicContact CG2-CB 4.3Å; V330-I360 HydrophobicContact CG2-CG1 4.42Å; V330-F363 HydrophobicContact CB-CB 4.36Å; V330-F363 HydrophobicContact CB-CD1 4.46Å; V330-F363 HydrophobicContact CB-CD2 4.09Å; V330-F363 HydrophobicContact CB-CG 4.04Å; V330-F363 HydrophobicContact CG1-CD1 4.24Å; V330-F363 HydrophobicContact CG1-CD2 4.02Å; V330-F363 HydrophobicContact CG1-CE1 4.2Å; V330-F363 HydrophobicContact CG1-CE2 3.97Å; V330-F363 HydrophobicContact CG1-CG 4.15Å; V330-F363 HydrophobicContact CG1-CZ 4.07Å; V330-F363 HydrophobicContact CG2-CB 4.11Å; V330-F363 HydrophobicContact CG2-CD1 4.21Å; V330-F363 HydrophobicContact CG2-CG 4.06Å
331K96.8Very high93.1Very high27 Ų2752.3 Ų52.312%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-115.8137.9173.7-55.3-174.1-170-177.50108.9E319 W321 E329 Y333 L354 P355E319-K331 HydrophobicContact CB-CB 4.48Å; E319-K331 PolarHBondContact N-O 3.46Å; E319-K331 PolarHBondContact O-N 3.15Å; W321-K331 HydrophobicContact CG-CD 4.29Å; E329-K331 WeakPolarHBondContact OE1-CE 3.31Å; E329-K331 IonicContact OE1-NZ 2.86Å; E329-K331 PolarHBondContact OE1-NZ 3.07Å; K331-Y333 HydrophobicContact CB-CD2 4.49Å; K331-Y333 HydrophobicContact CB-CE2 3.56Å; K331-L354 HydrophobicContact CB-CD2 3.72Å; K331-L354 HydrophobicContact CD-CD2 3.84Å; K331-L354 HydrophobicContact CG-CD2 3.52Å; K331-P355 WeakPolarHBondContact CE-O 3.46Å; K331-P355 PolarHBondContact NZ-O 3.49Å
332V97.7Very high93.2Very high3 Ų355 Ų552%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-122.3130.8-176.4-177.10000109.4L298 L316 T317 F318 V330 L346 V348 F363L298-V332 HydrophobicContact CD1-CG1 3.95Å; L316-V332 HydrophobicContact CD1-CG1 3.65Å; L316-V332 HydrophobicContact CG-CG1 4.43Å; T317-V332 VanDerWaalsContact O-CA 3.27Å; T317-V332 WeakPolarHBondContact O-CA 3.42Å; T317-V332 WeakPolarHBondContact O-CG1 3.4Å; F318-V332 HydrophobicContact CD1-CG1 4.48Å; F318-V332 HydrophobicContact CD1-CG2 3.72Å; F318-V332 HydrophobicContact CE1-CG1 4.36Å; F318-V332 HydrophobicContact CE1-CG2 4.05Å; F318-V332 HydrophobicContact CG-CG2 4.49Å; V330-V332 HydrophobicContact CG1-CG2 4.28Å; V332-L346 HydrophobicContact CB-CB 4.49Å; V332-L346 HydrophobicContact CG1-CB 4.29Å; V332-L346 HydrophobicContact CG1-CD1 4.03Å; V332-L346 PolarHBondContact O-N 2.78Å; V332-V348 HydrophobicContact CB-CG2 4.12Å; V332-V348 HydrophobicContact CG2-CG2 4Å; V332-F363 HydrophobicContact CG2-CE2 4.25Å; V332-F363 HydrophobicContact CG2-CZ 4.5Å
333Y97.6Very high93.6Very high44 Ų4451.8 Ų51.817%0.17329%0.288CS..EExtended strand (participates in β ladder)trans-131.5149179.7-52.4-99.1000111.3L316 T317 E319 K331 K344 P345 L354L316-Y333 CarbonylContact C-O 3.47Å; L316-Y333 WeakPolarHBondContact CA-O 3.33Å; T317-Y333 PolarHBondContact N-O 3.03Å; T317-Y333 PolarHBondContact O-N 3.45Å; T317-Y333 VanDerWaalsContact O-N 3.08Å; T317-Y333 WeakPolarHBondContact OG1-CB 3.14Å; E319-Y333 HydrophobicContact CG-CD2 4.2Å; E319-Y333 HydrophobicContact CG-CE2 4.21Å; K331-Y333 HydrophobicContact CB-CD2 4.49Å; K331-Y333 HydrophobicContact CB-CE2 3.56Å; Y333-K344 CarbonylContact C-O 3.6Å; Y333-K344 WeakPolarHBondContact CA-O 3.47Å; Y333-K344 WeakPolarHBondContact CB-O 3.5Å; Y333-P345 HydrophobicContact CD1-CB 4.17Å; Y333-P345 HydrophobicContact CE1-CB 4.12Å; Y333-L354 HydrophobicContact CD1-CD1 4.47Å; Y333-L354 HydrophobicContact CE1-CD1 3.97Å
334L97.8Very high94Very high21 Ų2154 Ų5411%0.1130%0.295CS..EExtended strand (participates in β ladder)trans-122.4128.6175.8178.366.4000110.7I291 L295 L316 E336 K344 L346I291-L334 HydrophobicContact CG2-CD1 4.26Å; L295-L334 HydrophobicContact CD1-CD2 4.35Å; L295-L334 HydrophobicContact CD2-CD2 4.38Å; L316-L334 HydrophobicContact CB-CD1 4.42Å; L316-L334 HydrophobicContact CD1-CB 4.42Å; L316-L334 HydrophobicContact CD1-CD1 4.45Å; L334-E336 HydrophobicContact CD2-CG 4.28Å; L334-E336 HydrophobicContact CG-CG 4.4Å; L334-K344 PolarHBondContact N-O 2.8Å; L334-K344 PolarHBondContact O-N 3.12Å; L334-L346 HydrophobicContact CB-CD1 3.64Å; L334-L346 HydrophobicContact CB-CD2 3.94Å; L334-L346 HydrophobicContact CB-CG 3.8Å; L334-L346 HydrophobicContact CD2-CD2 4.4Å
335R98Very high94.6Very high4 Ų450.7 Ų50.72%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-100.4122.8159.8-179.4-170.2176-1073.5108.3C313 S314 C315 G337 P338 S340 F343C313-R335 PolarHBondContact O-NH1 2.94Å; S314-R335 CarbonylContact C-O 3.6Å; S314-R335 WeakPolarHBondContact CA-O 3.49Å; S314-R335 WeakPolarHBondContact CB-O 3.27Å; C315-R335 HydrophobicContact CB-CB 4.33Å; C315-R335 PolarHBondContact N-O 3.48Å; C315-R335 PolarHBondContact O-N 2.86Å; R335-G337 PolarHBondContact NE-O 3.12Å; R335-G337 PolarHBondContact NH1-O 3.29Å; R335-G337 PolarHBondContact NH2-O 3.35Å; R335-G337 VanDerWaalsContact NH2-O 3.08Å; R335-P338 VanDerWaalsContact NH2-CA 3.33Å; R335-P338 PolarHBondContact NH2-O 3.18Å; R335-S340 PolarHBondContact NE-O 2.87Å; R335-S340 PolarHBondContact NH2-O 2.64Å; R335-F343 HydrophobicContact CB-CD1 3.76Å; R335-F343 HydrophobicContact CB-CD2 4.5Å; R335-F343 HydrophobicContact CB-CE1 3.66Å; R335-F343 HydrophobicContact CB-CE2 4.42Å; R335-F343 HydrophobicContact CB-CG 4.19Å; R335-F343 HydrophobicContact CB-CZ 4.02Å
336E95.5Very high95Very high100 Ų10046.1 Ų46.147%0.46726%0.258SS..  trans-77.5-20.8-168.8-70.4165.3177.100114.7S314 L334 K344S314-E336 WeakPolarHBondContact CB-O 3.36Å; L334-E336 HydrophobicContact CD2-CG 4.28Å; L334-E336 HydrophobicContact CG-CG 4.4Å; E336-K344 IonicContact OE1-NZ 2.77Å; E336-K344 PolarHBondContact OE1-NZ 3.42Å; E336-K344 IonicContact OE2-NZ 3.02Å; E336-K344 PolarHBondContact OE2-NZ 3.25Å
337G95.9Very high95.4Very high8 Ų848.7 Ų48.78%0.08226%0.262CS..SBendtrans164.1-170.7-178.900000113.5F312 R335 N339 S340F312-G337 WeakPolarHBondContact O-CA 3.05Å; R335-G337 PolarHBondContact NE-O 3.12Å; R335-G337 PolarHBondContact NH1-O 3.29Å; R335-G337 PolarHBondContact NH2-O 3.35Å; R335-G337 VanDerWaalsContact NH2-O 3.08Å; G337-N339 VanDerWaalsContact C-N 3.26Å; G337-N339 PolarHBondContact O-N 2.72Å; G337-S340 PolarHBondContact O-N 3.38Å; G337-S340 VanDerWaalsContact O-N 3.16Å
338P94.7Very high95.7Very high44 Ų4446.8 Ų46.829%0.28625%0.25SS..THydrogen-bonded Turntrans-62.1-30.3-17228.2-39000113.8Q55 F312 R335 S340Q55-P338 HydrophobicContact CB-CB 4.36Å; Q55-P338 HydrophobicContact CG-CB 3.77Å; Q55-P338 HydrophobicContact CG-CG 4.38Å; F312-P338 WeakPolarHBondContact O-CD 3.41Å; R335-P338 VanDerWaalsContact NH2-CA 3.33Å; R335-P338 PolarHBondContact NH2-O 3.18Å; P338-S340 VanDerWaalsContact C-N 3.26Å; P338-S340 PolarHBondContact O-N 2.83Å
339N93Very high95.9Very high169 Ų16949.7 Ų49.790%0.90427%0.269SS*.THydrogen-bonded Turntrans-80-4.6-177.6-62.5-19.4000113.6G337G337-N339 VanDerWaalsContact C-N 3.26Å; G337-N339 PolarHBondContact O-N 2.72Å
340S94Very high95.9Very high22 Ų2252.2 Ų52.215%0.15430%0.301CS..  trans-105.3136.4173.5-178.20000110.6R335 G337 P338 V342R335-S340 PolarHBondContact NE-O 2.87Å; R335-S340 PolarHBondContact NH2-O 2.64Å; G337-S340 PolarHBondContact O-N 3.38Å; G337-S340 VanDerWaalsContact O-N 3.16Å; P338-S340 VanDerWaalsContact C-N 3.26Å; P338-S340 PolarHBondContact O-N 2.83Å; S340-V342 PolarHBondContact OG-N 3.39Å; S340-V342 PolarHBondContact OG-O 3.01Å; S340-V342 VanDerWaalsContact OG-O 3.06Å
341T94.5Very high95.9Very high103 Ų10352.7 Ų52.763%0.63231%0.305SS*.  trans-100.6-2.4165.454.90000112L62L62-T341 HydrophobicContact CD2-CG2 4.32Å
342V95.2Very high95.7Very high83 Ų8354.8 Ų54.850%0.50332%0.321SS..  trans-105.5129.6-171.4-178.80000110.7S340 K344S340-V342 PolarHBondContact OG-N 3.39Å; S340-V342 PolarHBondContact OG-O 3.01Å; S340-V342 VanDerWaalsContact OG-O 3.06Å; V342-K344 HydrophobicContact CG1-CG 4.34Å
343F96.5Very high95.5Very high29 Ų2961.8 Ų61.813%0.12735%0.353CS..  trans-87.5101.8165.9-74.5-93.3000108.8L59 L63 C315 T317 R335L59-F343 HydrophobicContact CD1-CZ 4.04Å; L63-F343 HydrophobicContact CD2-CE1 4.34Å; L63-F343 HydrophobicContact CD2-CE2 4.49Å; L63-F343 HydrophobicContact CD2-CZ 3.75Å; L63-F343 HydrophobicContact CG-CZ 4.34Å; C315-F343 HydrophobicContact CB-CE1 4Å; C315-F343 HydrophobicContact CB-CZ 4.43Å; T317-F343 HydrophobicContact CG2-CD1 3.72Å; T317-F343 HydrophobicContact CG2-CE1 3.49Å; T317-F343 VanDerWaalsContact CG2-CE1 3.49Å; T317-F343 HydrophobicContact CG2-CZ 4.48Å; R335-F343 HydrophobicContact CB-CD1 3.76Å; R335-F343 HydrophobicContact CB-CD2 4.5Å; R335-F343 HydrophobicContact CB-CE1 3.66Å; R335-F343 HydrophobicContact CB-CE2 4.42Å; R335-F343 HydrophobicContact CB-CG 4.19Å; R335-F343 HydrophobicContact CB-CZ 4.02Å
344K96.2Very high95.1Very high89 Ų8961.6 Ų61.639%0.38736%0.355SS..EExtended strand (participates in β ladder)trans-76.3134.5-177.6-64.1178.9-173.2169.70110Y333 L334 E336 V342 L346Y333-K344 CarbonylContact C-O 3.6Å; Y333-K344 WeakPolarHBondContact CA-O 3.47Å; Y333-K344 WeakPolarHBondContact CB-O 3.5Å; L334-K344 PolarHBondContact N-O 2.8Å; L334-K344 PolarHBondContact O-N 3.12Å; E336-K344 IonicContact OE1-NZ 2.77Å; E336-K344 PolarHBondContact OE1-NZ 3.42Å; E336-K344 IonicContact OE2-NZ 3.02Å; E336-K344 PolarHBondContact OE2-NZ 3.25Å; V342-K344 HydrophobicContact CG1-CG 4.34Å; K344-L346 PolarHBondContact O-N 2.78Å
345P96.5Very high94.7Very high84 Ų8464.1 Ų64.155%0.54537%0.373SS..EExtended strand (participates in β ladder)trans-60.7132.1173.525.4-32.9000110.3Y333 L354Y333-P345 HydrophobicContact CD1-CB 4.17Å; Y333-P345 HydrophobicContact CE1-CB 4.12Å; P345-L354 HydrophobicContact CB-CB 4.01Å; P345-L354 HydrophobicContact CB-CD1 3.33Å; P345-L354 HydrophobicContact CB-CG 4.23Å
346L95.6Very high94.3Very high24 Ų2469.1 Ų69.113%0.12640%0.4CS..PPolyproline II helixtrans-99.9132.7174.1-71.8-176000111.2L295 V300 L316 V332 L334 K344 V348L295-L346 HydrophobicContact CD2-CD1 3.55Å; V300-L346 HydrophobicContact CG1-CD2 4.1Å; V300-L346 HydrophobicContact CG2-CB 4.4Å; V300-L346 HydrophobicContact CG2-CD1 4.32Å; L316-L346 HydrophobicContact CD1-CD1 3.49Å; L316-L346 VanDerWaalsContact CD1-CD1 3.49Å; V332-L346 HydrophobicContact CB-CB 4.49Å; V332-L346 HydrophobicContact CG1-CB 4.29Å; V332-L346 HydrophobicContact CG1-CD1 4.03Å; V332-L346 PolarHBondContact O-N 2.78Å; L334-L346 HydrophobicContact CB-CD1 3.64Å; L334-L346 HydrophobicContact CB-CD2 3.94Å; L334-L346 HydrophobicContact CB-CG 3.8Å; L334-L346 HydrophobicContact CD2-CD2 4.4Å; K344-L346 PolarHBondContact O-N 2.78Å; L346-V348 PolarHBondContact O-N 3.49Å
347Q94.9Very high94Very high82 Ų8264.7 Ų64.738%0.38338%0.381SS..  trans-80.7105.1170.8-178.355.335.300109.9C351 Q353Q347-C351 PolarHBondContact NE2-O 3.5Å; Q347-Q353 VanDerWaalsContact OE1-CA 3.3Å; Q347-Q353 VanDerWaalsContact OE1-CG 3.31Å
348V96.6Very high93.9Very high9 Ų964.5 Ų64.56%0.05538%0.378CS..  trans-79.8125.1173.5179.90000108.9L298 V332 L346 G350 C351 F363L298-V348 HydrophobicContact CB-CG1 4.31Å; L298-V348 HydrophobicContact CB-CG2 4.4Å; L298-V348 HydrophobicContact CD2-CG1 3.84Å; L298-V348 HydrophobicContact CD2-CG2 4.02Å; V332-V348 HydrophobicContact CB-CG2 4.12Å; V332-V348 HydrophobicContact CG2-CG2 4Å; L346-V348 PolarHBondContact O-N 3.49Å; V348-G350 PolarHBondContact O-N 3.25Å; V348-C351 HydrophobicContact CB-CB 4.04Å; V348-C351 HydrophobicContact CG1-CB 4.37Å; V348-C351 PolarHBondContact O-N 3.24Å; V348-F363 HydrophobicContact CG1-CE2 4.35Å
349T95.2Very high94Very high73 Ų7367 Ų6745%0.44839%0.386SS..THydrogen-bonded Turntrans-57.5126.3179.3-74.90000110.3L298 G299 R366L298-T349 PolarHBondContact O-N 3.43Å; G299-T349 PolarHBondContact O-OG1 2.97Å; T349-R366 WeakPolarHBondContact O-CD 3.34Å; T349-R366 PolarHBondContact O-NE 2.93Å
350G94.5Very high94.1Very high74 Ų7459 Ų5976%0.76334%0.343SS*.THydrogen-bonded Turntrans84.23.7-178.300000115.4V348V348-G350 PolarHBondContact O-N 3.25Å
351C96.1Very high94.1Very high15 Ų1559.8 Ų59.810%0.10135%0.349CS..SBendtrans-110.2156.2170.7-66.80000111.1Q347 V348 C358Q347-C351 PolarHBondContact NE2-O 3.5Å; V348-C351 HydrophobicContact CB-CB 4.04Å; V348-C351 HydrophobicContact CG1-CB 4.37Å; V348-C351 PolarHBondContact O-N 3.24Å; C351-C358 HydrophobicContact CB-CB 3.5Å; C351-C358 WeakPolarHBondContact CB-SG 3.26Å; C351-C358 WeakPolarHBondContact SG-CB 3.35Å; C351-C358 CovalentContact SG-SG 2.05Å; C351-C358 PolarHBondContact SG-SG 3.2Å
352P94.6Very high94.2Very high70 Ų7057.7 Ų57.746%0.45534%0.338SS..PPolyproline II helixtrans-57.5157.5172.6-23.234.7000112.7N356P352-N356 HydrophobicContact CB-CB 4.1Å
353Q91.7Very high94.3Very high151 Ų15153.8 Ų53.871%0.70631%0.314SS*.PPolyproline II helixtrans-70.4137.9171.5-70.8-173.2-1600110.8Q347 N356Q347-Q353 VanDerWaalsContact OE1-CA 3.3Å; Q347-Q353 VanDerWaalsContact OE1-CG 3.31Å; Q353-N356 CarbonylContact C-O 3.55Å; Q353-N356 PolarHBondContact O-N 3.24Å; Q353-N356 VanDerWaalsContact O-N 3.12Å
354L91.1Very high94.4Very high39 Ų3955.4 Ų55.420%0.20432%0.323CS..THydrogen-bonded Turntrans-59.1139.5170.3-66.4179.4000109.8K331 Y333 P345K331-L354 HydrophobicContact CB-CD2 3.72Å; K331-L354 HydrophobicContact CD-CD2 3.84Å; K331-L354 HydrophobicContact CG-CD2 3.52Å; Y333-L354 HydrophobicContact CD1-CD1 4.47Å; Y333-L354 HydrophobicContact CE1-CD1 3.97Å; P345-L354 HydrophobicContact CB-CB 4.01Å; P345-L354 HydrophobicContact CB-CD1 3.33Å; P345-L354 HydrophobicContact CB-CG 4.23Å
355P88.6Confident94.4Very high75 Ų7555.1 Ų55.149%0.48733%0.332SS..THydrogen-bonded Turncis-82.5-8.221.133-37.1000116.1M4 K331 G357M4-P355 HydrophobicContact CE-CB 4.5Å; K331-P355 WeakPolarHBondContact CE-O 3.46Å; K331-P355 PolarHBondContact NZ-O 3.49Å; P355-G357 PolarHBondContact O-N 3.35Å
356N88.8Confident94.4Very high108 Ų10853.6 Ų53.658%0.57832%0.315SS*.SBendtrans-77.2117.9175.3-63-29.9000109.4P352 Q353P352-N356 HydrophobicContact CB-CB 4.1Å; Q353-N356 CarbonylContact C-O 3.55Å; Q353-N356 PolarHBondContact O-N 3.24Å; Q353-N356 VanDerWaalsContact O-N 3.12Å
357G89.7Confident94.5Very high7 Ų752.4 Ų52.47%0.07231%0.309CS..  trans-81178.2179.500000112.9E329 V330 P355E329-G357 WeakPolarHBondContact OE2-CA 3.31Å; E329-G357 PolarHBondContact OE2-N 3.02Å; V330-G357 WeakPolarHBondContact O-CA 3.38Å; P355-G357 PolarHBondContact O-N 3.35Å
358C94.8Very high94.6Very high4 Ų451.5 Ų51.53%0.02731%0.311CS..EExtended strand (participates in β ladder)trans-84.4127.6172.4-1470000109.1E329 V330 C351 I360 F363E329-C358 CarbonylContact C-O 3.5Å; E329-C358 VanDerWaalsContact CA-O 3.28Å; E329-C358 WeakPolarHBondContact CA-O 3.2Å; V330-C358 PolarHBondContact N-O 2.97Å; V330-C358 PolarHBondContact O-N 3.25Å; C351-C358 HydrophobicContact CB-CB 3.5Å; C351-C358 WeakPolarHBondContact CB-SG 3.26Å; C351-C358 WeakPolarHBondContact SG-CB 3.35Å; C351-C358 CovalentContact SG-SG 2.05Å; C351-C358 PolarHBondContact SG-SG 3.2Å; C358-I360 PolarHBondContact O-N 2.91Å; C358-F363 HydrophobicContact CB-CB 4.08Å; C358-F363 HydrophobicContact CB-CD2 4.04Å
359E95.3Very high94.6Very high97 Ų9756 Ų5645%0.45333%0.33SS..EExtended strand (participates in β ladder)trans-53.2136.6171-164-164.9139.300109Y328 S361 S362 F363Y328-E359 WeakPolarHBondContact O-CA 3.42Å; E359-S361 PolarHBondContact O-N 3.2Å; E359-S361 PolarHBondContact OE1-OG 3.15Å; E359-S362 WeakPolarHBondContact O-CB 3.27Å; E359-S362 PolarHBondContact O-N 3.2Å; E359-F363 PolarHBondContact O-N 3.45Å
360I94.8Very high94.8Very high1 Ų152.9 Ų52.91%0.00531%0.311CS..Hα-helixtrans-53.3-31.4-176.5-174.2171.9000112.5M258 R259 L320 Y328 V330 C358 E364M258-I360 HydrophobicContact CB-CD1 3.72Å; R259-I360 HydrophobicContact CG-CD1 4.14Å; L320-I360 HydrophobicContact CD1-CB 4.21Å; L320-I360 HydrophobicContact CD1-CD1 3.82Å; L320-I360 HydrophobicContact CD1-CG1 4.32Å; L320-I360 HydrophobicContact CD2-CD1 4.41Å; Y328-I360 PolarHBondContact O-N 3.42Å; V330-I360 HydrophobicContact CG2-CB 4.3Å; V330-I360 HydrophobicContact CG2-CG1 4.42Å; C358-I360 PolarHBondContact O-N 2.91Å; I360-E364 VanDerWaalsContact O-CB 3.29Å; I360-E364 WeakPolarHBondContact O-CB 3.49Å; I360-E364 PolarHBondContact O-N 3.04Å
361S95.1Very high94.9Very high39 Ų3951 Ų5127%0.27328%0.281SS..Hα-helixtrans-68.5-45.1174.863.80000113.2E359 E364 S365E359-S361 PolarHBondContact O-N 3.2Å; E359-S361 PolarHBondContact OE1-OG 3.15Å; S361-E364 PolarHBondContact O-N 3.16Å; S361-S365 VanDerWaalsContact O-CB 3.28Å; S361-S365 WeakPolarHBondContact O-CB 3.48Å; S361-S365 PolarHBondContact O-N 3.09Å
362S96.4Very high94.9Very high58 Ų5851 Ų5141%0.40628%0.281SS..Hα-helixtrans-64.8-42.2173.5-50.80000111.3E359 E364 S365 R366E359-S362 WeakPolarHBondContact O-CB 3.27Å; E359-S362 PolarHBondContact O-N 3.2Å; S362-E364 PolarHBondContact O-N 3.16Å; S362-S365 PolarHBondContact O-N 3.29Å; S362-R366 VanDerWaalsContact O-CB 3.29Å; S362-R366 WeakPolarHBondContact O-CB 3.46Å; S362-R366 PolarHBondContact O-N 3.2Å
363F97.4Very high94.7Very high1 Ų156.3 Ų56.30%0.00430%0.299CS..Hα-helixtrans-62.1-44.3177.3-168.7-94.6000111.6I251 V255 M258 L298 F318 V330 V332 V348 C358 E359 N367I251-F363 HydrophobicContact CD1-CE1 4.42Å; V255-F363 HydrophobicContact CG2-CD1 3.89Å; V255-F363 HydrophobicContact CG2-CE1 3.72Å; M258-F363 HydrophobicContact CE-CD1 4.12Å; M258-F363 HydrophobicContact CE-CE1 3.9Å; L298-F363 HydrophobicContact CD2-CE2 3.87Å; L298-F363 HydrophobicContact CD2-CZ 3.81Å; F318-F363 AromaticContact CD1-CZ 3.99Å; F318-F363 HydrophobicContact CD1-CZ 3.99Å; F318-F363 HydrophobicContact CE1-CZ 4Å; V330-F363 HydrophobicContact CB-CB 4.36Å; V330-F363 HydrophobicContact CB-CD1 4.46Å; V330-F363 HydrophobicContact CB-CD2 4.09Å; V330-F363 HydrophobicContact CB-CG 4.04Å; V330-F363 HydrophobicContact CG1-CD1 4.24Å; V330-F363 HydrophobicContact CG1-CD2 4.02Å; V330-F363 HydrophobicContact CG1-CE1 4.2Å; V330-F363 HydrophobicContact CG1-CE2 3.97Å; V330-F363 HydrophobicContact CG1-CG 4.15Å; V330-F363 HydrophobicContact CG1-CZ 4.07Å; V330-F363 HydrophobicContact CG2-CB 4.11Å; V330-F363 HydrophobicContact CG2-CD1 4.21Å; V330-F363 HydrophobicContact CG2-CG 4.06Å; V332-F363 HydrophobicContact CG2-CE2 4.25Å; V332-F363 HydrophobicContact CG2-CZ 4.5Å; V348-F363 HydrophobicContact CG1-CE2 4.35Å; C358-F363 HydrophobicContact CB-CB 4.08Å; C358-F363 HydrophobicContact CB-CD2 4.04Å; E359-F363 PolarHBondContact O-N 3.45Å; F363-N367 PolarHBondContact O-N 3.42Å; F363-N367 PolarHBondContact O-ND2 2.88Å
364E97.4Very high94.9Very high64 Ų6453.5 Ų53.530%0.29929%0.289SS..Hα-helixtrans-64-49.8174.4179.6176.5-154.700111.8V255 R259 I360 S361 S362 R366 N367 S368 F371V255-E364 HydrophobicContact CG1-CB 3.86Å; V255-E364 HydrophobicContact CG1-CG 3.87Å; R259-E364 IonicContact CZ-OE2 2.78Å; R259-E364 IonicContact NE-OE2 3.2Å; R259-E364 PolarHBondContact NE-OE2 3.02Å; R259-E364 IonicContact NH2-OE2 3.84Å; R259-E364 PolarHBondContact NH2-OE2 3.31Å; I360-E364 VanDerWaalsContact O-CB 3.29Å; I360-E364 WeakPolarHBondContact O-CB 3.49Å; I360-E364 PolarHBondContact O-N 3.04Å; S361-E364 PolarHBondContact O-N 3.16Å; S362-E364 PolarHBondContact O-N 3.16Å; E364-R366 VanDerWaalsContact C-N 3.31Å; E364-R366 PolarHBondContact O-N 2.86Å; E364-N367 CarbonylContact O-C 3.56Å; E364-N367 PolarHBondContact O-N 3.21Å; E364-N367 VanDerWaalsContact O-N 3.07Å; E364-S368 PolarHBondContact O-N 3.43Å; E364-F371 HydrophobicContact CG-CE2 3.88Å; E364-F371 HydrophobicContact CG-CZ 4.19Å
365S97.5Very high95.1Very high83 Ų8353 Ų5358%0.5829%0.285SS*.Hα-helixtrans-56.9-45.7-178.8179.30000111.6S361 S362 N367 S368S361-S365 VanDerWaalsContact O-CB 3.28Å; S361-S365 WeakPolarHBondContact O-CB 3.48Å; S361-S365 PolarHBondContact O-N 3.09Å; S362-S365 PolarHBondContact O-N 3.29Å; S365-N367 VanDerWaalsContact C-N 3.33Å; S365-N367 PolarHBondContact O-N 2.68Å; S365-S368 WeakPolarHBondContact O-CB 3.42Å; S365-S368 PolarHBondContact O-N 3.08Å; S365-S368 PolarHBondContact O-OG 3.2Å
366R96.7Very high95.3Very high51 Ų5156.9 Ų56.919%0.19229%0.294CS..Hα-helixtrans-56.6-44.6175.3-179.1-154172.6-71.5-12.8112.5I297 L298 T349 S362 E364I297-R366 PolarHBondContact O-NH1 3.07Å; I297-R366 PolarHBondContact O-NH2 3.18Å; L298-R366 VanDerWaalsContact CA-NH2 3.35Å; L298-R366 PolarHBondContact O-NH2 2.76Å; T349-R366 WeakPolarHBondContact O-CD 3.34Å; T349-R366 PolarHBondContact O-NE 2.93Å; S362-R366 VanDerWaalsContact O-CB 3.29Å; S362-R366 WeakPolarHBondContact O-CB 3.46Å; S362-R366 PolarHBondContact O-N 3.2Å; E364-R366 VanDerWaalsContact C-N 3.31Å; E364-R366 PolarHBondContact O-N 2.86Å
367N97.6Very high95.6Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-85.5-10.5-175.5-71.6-67.1000113.5I251 I297 F363 E364 S365 K369 Y370 F371I251-N367 HydrophobicContact CG1-CB 4.16Å; I297-N367 VanDerWaalsContact CG2-OD1 3.31Å; I297-N367 WeakPolarHBondContact CG2-OD1 3.42Å; F363-N367 PolarHBondContact O-N 3.42Å; F363-N367 PolarHBondContact O-ND2 2.88Å; E364-N367 CarbonylContact O-C 3.56Å; E364-N367 PolarHBondContact O-N 3.21Å; E364-N367 VanDerWaalsContact O-N 3.07Å; S365-N367 VanDerWaalsContact C-N 3.33Å; S365-N367 PolarHBondContact O-N 2.68Å; N367-K369 PolarHBondContact O-N 2.99Å; N367-K369 VanDerWaalsContact O-N 3.15Å; N367-Y370 WeakPolarHBondContact O-CB 3.39Å; N367-Y370 PolarHBondContact O-N 2.82Å; N367-F371 HydrophobicContact CB-CE1 3.73Å; N367-F371 HydrophobicContact CB-CZ 3.98Å; N367-F371 WeakPolarHBondContact O-CD1 3.45Å
368S97Very high95.9Very high62 Ų6256.2 Ų56.243%0.43429%0.294SS..G310 helixtrans-56-34.9-173.265.50000114.2E364 S365 Y370 F371E364-S368 PolarHBondContact O-N 3.43Å; S365-S368 WeakPolarHBondContact O-CB 3.42Å; S365-S368 PolarHBondContact O-N 3.08Å; S365-S368 PolarHBondContact O-OG 3.2Å; S368-Y370 PolarHBondContact O-N 2.99Å; S368-F371 PolarHBondContact O-N 2.98Å; S368-F371 VanDerWaalsContact O-N 3.08Å
369K97Very high95.9Very high103 Ų10356.2 Ų56.245%0.44829%0.294SS..G310 helixtrans-62.7-19.8175.464.3176178.91640114.3E240 N367E240-K369 IonicContact OE2-NZ 2.94Å; E240-K369 PolarHBondContact OE2-NZ 3.21Å; N367-K369 PolarHBondContact O-N 2.99Å; N367-K369 VanDerWaalsContact O-N 3.15Å
370Y97.9Very high95.8Very high9 Ų953.8 Ų53.84%0.03529%0.29CS..G310 helixtrans-95.3-10.3176.9-59-63.4000113.1E240 R243 K244 G248 I297 N367 S368 V372E240-Y370 HydrophobicContact CG-CE1 3.91Å; R243-Y370 HydrophobicContact CB-CD1 3.87Å; R243-Y370 HydrophobicContact CB-CE1 3.63Å; R243-Y370 PolarHBondContact NE-OH 3.36Å; K244-Y370 HydrophobicContact CB-CD1 4.31Å; G248-Y370 WeakPolarHBondContact CA-O 3.38Å; I297-Y370 HydrophobicContact CB-CD2 4.47Å; I297-Y370 HydrophobicContact CG1-CD1 4.38Å; I297-Y370 HydrophobicContact CG1-CD2 4.3Å; I297-Y370 HydrophobicContact CG1-CG 4.25Å; I297-Y370 HydrophobicContact CG2-CD2 3.71Å; I297-Y370 HydrophobicContact CG2-CE2 4.04Å; I297-Y370 HydrophobicContact CG2-CG 4.33Å; N367-Y370 WeakPolarHBondContact O-CB 3.39Å; N367-Y370 PolarHBondContact O-N 2.82Å; S368-Y370 PolarHBondContact O-N 2.99Å; Y370-V372 PolarHBondContact O-N 3.34Å
371F97.5Very high94.8Very high33 Ų3359 Ų5915%0.14532%0.322CS..  trans-67.6137.9-178.7-62.3-15000110.9K244 I251 V255 E364 N367 S368K244-F371 WeakPolarHBondContact CE-O 3.11Å; I251-F371 HydrophobicContact CG2-CD1 4.36Å; I251-F371 HydrophobicContact CG2-CE1 4.4Å; V255-F371 HydrophobicContact CB-CE1 4.33Å; V255-F371 HydrophobicContact CB-CZ 3.93Å; V255-F371 HydrophobicContact CG1-CZ 3.87Å; V255-F371 HydrophobicContact CG2-CE1 4.21Å; V255-F371 HydrophobicContact CG2-CZ 4.03Å; E364-F371 HydrophobicContact CG-CE2 3.88Å; E364-F371 HydrophobicContact CG-CZ 4.19Å; N367-F371 HydrophobicContact CB-CE1 3.73Å; N367-F371 HydrophobicContact CB-CZ 3.98Å; N367-F371 WeakPolarHBondContact O-CD1 3.45Å; S368-F371 PolarHBondContact O-N 2.98Å; S368-F371 VanDerWaalsContact O-N 3.08Å
372V95.6Very high93Very high15 Ų1558.1 Ų58.19%0.09132%0.319CS..  trans-119.3122.9-179.5178.50000108.1K244 L249 Y370 W375K244-V372 HydrophobicContact CG-CG2 3.72Å; K244-V372 VanDerWaalsContact O-CG2 3.32Å; K244-V372 WeakPolarHBondContact O-CG2 3.46Å; L249-V372 HydrophobicContact CD2-CB 4.07Å; L249-V372 HydrophobicContact CD2-CG1 4.22Å; L249-V372 HydrophobicContact CG-CB 4.37Å; Y370-V372 PolarHBondContact O-N 3.34Å; V372-W375 HydrophobicContact CG1-CB 3.62Å; V372-W375 HydrophobicContact CG1-CG 4.25Å
373H91.8Very high90.9Very high183 Ų18363.5 Ų63.585%0.84734%0.335SS*.SBendtrans-96.1-40.1179-62.7-60000112.2
374D94.7Very high88.3Confident92 Ų9269.3 Ų69.349%0.49238%0.376SS..  trans-129.987.1174.6-173-15.1000109.8K376 A377 E378D374-K376 VanDerWaalsContact C-N 3.27Å; D374-K376 PolarHBondContact O-N 3.33Å; D374-K376 PolarHBondContact OD1-N 3.05Å; D374-A377 HydrophobicContact CB-CB 3.99Å; D374-A377 PolarHBondContact O-N 3.41Å; D374-A377 PolarHBondContact OD1-N 2.71Å; D374-A377 WeakPolarHBondContact OD2-CB 3.3Å; D374-E378 WeakPolarHBondContact O-CG 3.46Å; D374-E378 PolarHBondContact O-N 2.94Å
375W95.3Very high85.5Confident29 Ų2969 Ų6911%0.1138%0.38CS..Hα-helixtrans-62.4-35.4-177.8-174.791.6000112.5S136 A142 P143 C144 L245 L249 V372 E378 C379S136-W375 WeakPolarHBondContact OG-CH2 3.4Å; S136-W375 WeakPolarHBondContact OG-CZ3 3.29Å; A142-W375 HydrophobicContact CB-CH2 3.84Å; A142-W375 HydrophobicContact CB-CZ2 4.02Å; P143-W375 WeakPolarHBondContact O-CH2 3.45Å; C144-W375 HydrophobicContact CB-CH2 4.1Å; C144-W375 HydrophobicContact CB-CZ2 3.78Å; L245-W375 PolarHBondContact O-NE1 2.96Å; L249-W375 HydrophobicContact CD1-CB 3.85Å; L249-W375 HydrophobicContact CD1-CD2 4.38Å; L249-W375 HydrophobicContact CD1-CG 3.67Å; L249-W375 HydrophobicContact CD2-CB 4.27Å; L249-W375 HydrophobicContact CG-CB 4.31Å; L249-W375 HydrophobicContact CG-CG 4.32Å; V372-W375 HydrophobicContact CG1-CB 3.62Å; V372-W375 HydrophobicContact CG1-CG 4.25Å; W375-E378 PolarHBondContact O-N 2.88Å; W375-C379 HydrophobicContact CE3-CB 4.5Å; W375-C379 WeakPolarHBondContact CZ2-SG 3.3Å; W375-C379 VanDerWaalsContact O-CB 3.29Å; W375-C379 WeakPolarHBondContact O-CB 3.38Å; W375-C379 PolarHBondContact O-N 3.45Å; W375-C379 PolarHBondContact O-SG 3.26Å
376K94Very high82.4Confident155 Ų15570.8 Ų70.867%0.67439%0.393SS*.Hα-helixtrans-66.4-42.9179.8-70-177.1178.9179.10110.6D374 A380D374-K376 VanDerWaalsContact C-N 3.27Å; D374-K376 PolarHBondContact O-N 3.33Å; D374-K376 PolarHBondContact OD1-N 3.05Å; K376-A380 WeakPolarHBondContact O-CB 3.37Å; K376-A380 PolarHBondContact O-N 3Å; K376-A380 VanDerWaalsContact O-N 3.12Å
377A95.2Very high79.7Confident49 Ų4972.9 Ų72.941%0.40540%0.404SS..Hα-helixtrans-64.6-48.1175.100000111.8D374 C379 A380D374-A377 HydrophobicContact CB-CB 3.99Å; D374-A377 PolarHBondContact O-N 3.41Å; D374-A377 PolarHBondContact OD1-N 2.71Å; D374-A377 WeakPolarHBondContact OD2-CB 3.3Å; A377-C379 VanDerWaalsContact C-N 3.3Å; A377-C379 PolarHBondContact O-N 3.17Å; A377-A380 PolarHBondContact O-N 3.22Å; A377-A380 VanDerWaalsContact O-N 3.12Å
378E95.1Very high76.8Confident53 Ų5380.9 Ų80.925%0.24844%0.441CS..Hα-helixtrans-62.5-35.7-180-68.6-161-137.300112.8A146 K244 L245 D374 W375A146-E378 WeakPolarHBondContact CB-O 3.18Å; K244-E378 WeakPolarHBondContact CE-OE1 3.32Å; K244-E378 WeakPolarHBondContact CE-OE2 3.18Å; K244-E378 IonicContact NZ-OE1 3.13Å; K244-E378 PolarHBondContact NZ-OE1 2.92Å; K244-E378 IonicContact NZ-OE2 2.95Å; K244-E378 PolarHBondContact NZ-OE2 3.38Å; L245-E378 HydrophobicContact CD2-CB 3.78Å; D374-E378 WeakPolarHBondContact O-CG 3.46Å; D374-E378 PolarHBondContact O-N 2.94Å; W375-E378 PolarHBondContact O-N 2.88Å
379C95Very high73.7Confident4 Ų484.9 Ų84.93%0.02746%0.456CS..Hα-helixtrans-75.8-21.9175.4-75.50000114.2C144 P145 A146 W375 A377 V381C144-C379 HydrophobicContact CB-CB 3.9Å; C144-C379 WeakPolarHBondContact CB-SG 3.37Å; C144-C379 VanDerWaalsContact SG-CA 3.59Å; C144-C379 WeakPolarHBondContact SG-CB 3.48Å; C144-C379 CovalentContact SG-SG 2.04Å; C144-C379 PolarHBondContact SG-SG 3.26Å; P145-C379 WeakPolarHBondContact CD-O 3.42Å; A146-C379 PolarHBondContact N-O 3.23Å; W375-C379 HydrophobicContact CE3-CB 4.5Å; W375-C379 WeakPolarHBondContact CZ2-SG 3.3Å; W375-C379 VanDerWaalsContact O-CB 3.29Å; W375-C379 WeakPolarHBondContact O-CB 3.38Å; W375-C379 PolarHBondContact O-N 3.45Å; W375-C379 PolarHBondContact O-SG 3.26Å; A377-C379 VanDerWaalsContact C-N 3.3Å; A377-C379 PolarHBondContact O-N 3.17Å; C379-V381 VanDerWaalsContact C-N 3.35Å
380A92Very high70.6Confident45 Ų4583.8 Ų83.837%0.37246%0.462SS..Hα-helixtrans-77-19.6-18000000113.6K376 A377 G382 K383K376-A380 WeakPolarHBondContact O-CB 3.37Å; K376-A380 PolarHBondContact O-N 3Å; K376-A380 VanDerWaalsContact O-N 3.12Å; A377-A380 PolarHBondContact O-N 3.22Å; A377-A380 VanDerWaalsContact O-N 3.12Å; A380-G382 VanDerWaalsContact C-N 3.26Å; A380-G382 PolarHBondContact O-N 3.35Å; A380-K383 PolarHBondContact O-N 2.86Å
381V74.4Confident67.4Low111 Ų11188.3 Ų88.367%0.67350%0.495SS*.THydrogen-bonded Turntrans-69.679.9176.6-172.70000109.7A146 C379A146-V381 VanDerWaalsContact CB-O 3.31Å; A146-V381 WeakPolarHBondContact CB-O 3.46Å; C379-V381 VanDerWaalsContact C-N 3.35Å
382G58.1Low64.2Low21 Ų2193.8 Ų93.822%0.21652%0.519CS..THydrogen-bonded Turntrans163.7-6.2-175.600000115.5A380 S384A380-G382 VanDerWaalsContact C-N 3.26Å; A380-G382 PolarHBondContact O-N 3.35Å; G382-S384 PolarHBondContact O-N 3.17Å
383K52.1Low61.1Low171 Ų17198.4 Ų98.474%0.74354%0.542SS*.THydrogen-bonded Turntrans-63.5-0.4179.9-75.5-174.4174.9-179.40115.7A380A380-K383 PolarHBondContact O-N 2.86Å
384S41.9Very low58.1Low123 Ų12394.5 Ų94.586%0.8653%0.531SS*.THydrogen-bonded Turntrans-90.46.9-176.859.30000115.7G382G382-S384 PolarHBondContact O-N 3.17Å
385S38.1Very low54.9Low56 Ų5694.1 Ų94.139%0.39254%0.535SS..SBendtrans-121.2131.7170.359.90000110.4F387S385-F387 WeakPolarHBondContact O-CD2 3.48Å; S385-F387 PolarHBondContact O-N 3.05Å
386S33.4Very low51.6Low121 Ų121101.4 Ų101.485%0.84657%0.567SS**  trans-56.293.1-179.348.80000111.5H388S386-H388 PolarHBondContact O-N 3.4Å
387F39Very low48.6Very low95 Ų9598.7 Ų98.742%0.41755%0.553SS.*  trans-79102.1167.5-85.6-87.5000108.4D148 A149 S385 L389D148-F387 HydrophobicContact CB-CE1 4.47Å; D148-F387 HydrophobicContact CB-CZ 4.46Å; A149-F387 HydrophobicContact CB-CE2 4.24Å; A149-F387 HydrophobicContact CB-CZ 4.04Å; S385-F387 WeakPolarHBondContact O-CD2 3.48Å; S385-F387 PolarHBondContact O-N 3.05Å; F387-L389 PolarHBondContact O-N 2.95Å
388H38.3Very low45.4Very low169 Ų169100.9 Ų100.978%0.78256%0.563SS**  trans-53.4127146.9-90.7-79.6000106.6S386 S390S386-H388 PolarHBondContact O-N 3.4Å; H388-S390 PolarHBondContact O-N 3.32Å
389L31.7Very low42.3Very low145 Ų145104.6 Ų104.676%0.75959%0.59SS**  trans-57.785.4161.2-86.6101.1000107.4F387 L393F387-L389 PolarHBondContact O-N 2.95Å; L389-L393 HydrophobicContact CB-CD1 4.2Å; L389-L393 HydrophobicContact CD2-CD1 3.7Å; L389-L393 HydrophobicContact CD2-CD2 4.35Å; L389-L393 HydrophobicContact CD2-CG 3.99Å
390S31.3Very low39.2Very low81 Ų81114.5 Ų114.557%0.56663%0.626SS**  trans-67.3134.515355.10000105.5H388 F392H388-S390 PolarHBondContact O-N 3.32Å; S390-F392 VanDerWaalsContact C-N 3.31Å; S390-F392 PolarHBondContact O-N 3.02Å
391S31.3Very low36.2Very low103 Ų103116.7 Ų116.772%0.7264%0.638SS**SBendtrans-59.981.4-167.953.20000113.6
392F29.4Very low34.2Very low148 Ų148117 Ų11765%0.64965%0.645SS**  trans-9047.7136.2-72.3-78.4000108.2H186 S390 V394H186-F392 AromaticContact NE2-CZ 3.45Å; H186-F392 WeakPolarHBondContact NE2-CZ 3.38Å; S390-F392 VanDerWaalsContact C-N 3.31Å; S390-F392 PolarHBondContact O-N 3.02Å; F392-V394 PolarHBondContact O-N 3.39Å
393L31.2Very low32.9Very low113 Ų113123 Ų12359%0.59267%0.667SS**  trans-92.187.1179.8-98.1143.6000107.8L389L389-L393 HydrophobicContact CB-CD1 4.2Å; L389-L393 HydrophobicContact CD2-CD1 3.7Å; L389-L393 HydrophobicContact CD2-CD2 4.35Å; L389-L393 HydrophobicContact CD2-CG 3.99Å
394V28.4Very low32.1Very low101 Ų101121 Ų12161%0.61266%0.664SS**  trans42.8100.7137-169.60000112.4F392 K396F392-V394 PolarHBondContact O-N 3.39Å; V394-K396 HydrophobicContact CG1-CG 3.97Å; V394-K396 PolarHBondContact O-N 2.93Å
395C27.8Very low31.7Very low84 Ų84120.9 Ų120.957%0.56866%0.661SS**  trans-55.295.1143.7-1040000105.3Y397C395-Y397 HydrophobicContact CB-CD2 4.21Å; C395-Y397 HydrophobicContact CB-CE2 4.02Å; C395-Y397 WeakPolarHBondContact O-CD2 3.36Å; C395-Y397 PolarHBondContact O-N 3.27Å
396K25.6Very low31.8Very low182 Ų182126.5 Ų126.579%0.79168%0.678SS**  trans-62.190.5157.7-82.8-174.2175.5-179.70102.2V394 P398V394-K396 HydrophobicContact CG1-CG 3.97Å; V394-K396 PolarHBondContact O-N 2.93Å; K396-P398 WeakPolarHBondContact O-CD 3.18Å
397Y31.8Very low32Very low98 Ų98128.2 Ų128.238%0.38468%0.678SS.*  trans-55.5116160.3-76-90.1000104.1C395 V399C395-Y397 HydrophobicContact CB-CD2 4.21Å; C395-Y397 HydrophobicContact CB-CE2 4.02Å; C395-Y397 WeakPolarHBondContact O-CD2 3.36Å; C395-Y397 PolarHBondContact O-N 3.27Å; Y397-V399 VanDerWaalsContact C-N 3.34Å; Y397-V399 PolarHBondContact O-N 3.48Å
398P27Very low31.5Very low94 Ų94127.4 Ų127.461%0.6170%0.696SS**  trans-61.3116.4155.428.4-26.2000103K396 R400K396-P398 WeakPolarHBondContact O-CD 3.18Å; P398-R400 HydrophobicContact CB-CG 4.22Å; P398-R400 HydrophobicContact CG-CG 4.24Å; P398-R400 PolarHBondContact O-N 3.01Å
399V29.8Very low31.2Very low132 Ų132126.4 Ų126.480%0.870%0.696SS**  trans-5787.7151.6179.40000103.9Y397 C401Y397-V399 VanDerWaalsContact C-N 3.34Å; Y397-V399 PolarHBondContact O-N 3.48Å; V399-C401 PolarHBondContact O-N 2.97Å
400R31.2Very low31.1Very low212 Ų212125.3 Ų125.380%0.870%0.7SS**  trans-73.886170.9-95.5-172.5175.5-174.70.8104.5P398 S402P398-R400 HydrophobicContact CB-CG 4.22Å; P398-R400 HydrophobicContact CG-CG 4.24Å; P398-R400 PolarHBondContact O-N 3.01Å; R400-S402 VanDerWaalsContact C-N 3.32Å; R400-S402 PolarHBondContact O-N 3.22Å
401C27.7Very low31.3Very low91 Ų91127.4 Ų127.462%0.61571%0.713SS**  trans-54.8108.6145.1-76.30000105.7V399 H403V399-C401 PolarHBondContact O-N 2.97Å; C401-H403 PolarHBondContact O-N 2.95Å
402S32.1Very low31.1Very low116 Ų116129.7 Ų129.781%0.81172%0.715SS**  trans-64.682.4166.6510000108.1R400 N404R400-S402 VanDerWaalsContact C-N 3.32Å; R400-S402 PolarHBondContact O-N 3.22Å; S402-N404 PolarHBondContact O-N 3.44Å
403H32.4Very low31.3Very low147 Ų147130.8 Ų130.868%0.68173%0.727SS**  trans-84.7106.3166.7-91.236.4000108.4C401C401-H403 PolarHBondContact O-N 2.95Å
404N34.9Very low31Very low130 Ų130129.9 Ų129.970%0.69573%0.73SS**  trans-60.2122.2163.1-173.3-2.6000108.3S402 K406S402-N404 PolarHBondContact O-N 3.44Å; N404-K406 PolarHBondContact O-N 3.24Å
405P33.2Very low30.9Very low121 Ų121130.4 Ų130.479%0.78674%0.739SS**THydrogen-bonded Turntrans-79.269.9-176.533.3-33.9000109.7
406K39.9Very low31.2Very low174 Ų174140.6 Ų140.676%0.75777%0.767SS**THydrogen-bonded Turntrans-142.1-7.4170.9-80.6-159.5176178.40117.3N404N404-K406 PolarHBondContact O-N 3.24Å
407N38Very low31.5Very low157 Ų157138.5 Ų138.584%0.8477%0.766SS**  trans-145.5106.1173-79.4-36.2000110N409N407-N409 PolarHBondContact O-N 3.24Å
408G28.2Very low31.4Very low78 Ų78140.6 Ų140.680%0.80479%0.786SS**  trans-69113.117400000110.4
409N32.8Very low31.7Very low147 Ų147143.2 Ų143.279%0.78680%0.796SS**  trans-157.3117.1156.2-92.5-25.8000108.6N407N407-N409 PolarHBondContact O-N 3.24Å
410C29.3Very low31.8Very low122 Ų122143.9 Ų143.982%0.82480%0.796SS**  trans-91.8115.8-179.8-156.80000108.2
411C34.4Very low31.8Very low126 Ų126139.6 Ų139.685%0.85180%0.795SS**  trans-94.4103.1172.6-78.10000110.7
412I27.2Very low32.1Very low150 Ų150142.9 Ų142.977%0.76981%0.807SS**  trans-62129.1156.7-59.8164.6000107.9
413L33.4Very low32.1Very low172 Ų172144.8 Ų144.890%0.90181%0.807SS**  trans-140125.5154.8-86175.1000110.9
414S26Very low32.1Very low93 Ų93144.6 Ų144.665%0.6582%0.817SS**  trans-78.6150.4-175.455.20000112.6
415S25.9Very low31.9Very low113 Ų113145.8 Ų145.879%0.7983%0.827SS**  trans-65.8130.6165.849.20000112.4
416Y34.1Very low31.8Very low297 Ų297148.1 Ų148.1100%1.16583%0.831SS**  trans-1220142.3-93.1-76.7000108.2

Retrieved 416 of 416 residues in 261.6 ms (Link to these results)

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