A0A087XLW4_POEFO Loading...

Calpain-3

Calcium-regulated non-lysosomal thiol-protease.

AlphaFold DB , UniProt , Accession A0A087XLW4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 713 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
1M34.2Very low46.6Very low209 Ų209106.5 Ų106.5100%1.0359%0.591SS**  0144.80-69-132.1-140.900108.2Y3M1-Y3 PolarHBondContact O-N 3.44Å
2P36Very low48.4Very low122 Ų122103.3 Ų103.379%0.79256%0.563SS**  trans-63.3133176.728.8-31.3000108.5T4P2-T4 PolarHBondContact O-N 2.79Å; P2-T4 VanDerWaalsContact O-N 3.09Å
3Y34.7Very low50.1Low215 Ų215101.4 Ų101.484%0.84355%0.551SS**  trans-56104.7-175.1-159.8-96.2000110.5M1 P5M1-Y3 PolarHBondContact O-N 3.44Å; Y3-P5 WeakPolarHBondContact O-CD 3.37Å
4T37Very low52Low67 Ų6798.4 Ų98.441%0.41153%0.533SS..  trans-79.3113.4161.723.90000107.2P2 S6 I14P2-T4 PolarHBondContact O-N 2.79Å; P2-T4 VanDerWaalsContact O-N 3.09Å; T4-S6 PolarHBondContact O-N 3.13Å; T4-I14 HydrophobicContact CG2-CD1 4Å
5P34.9Very low53.4Low74 Ų7499.4 Ų99.448%0.48153%0.527SS..  trans-58.9134.1174.9-18.230.8000109.2Y3 G7 F8Y3-P5 WeakPolarHBondContact O-CD 3.37Å; P5-G7 PolarHBondContact O-N 3.42Å; P5-G7 VanDerWaalsContact O-N 3.15Å; P5-F8 PolarHBondContact O-N 2.68Å; P5-F8 VanDerWaalsContact O-N 3.11Å
6S40.4Very low54.7Low111 Ų11196.6 Ų96.678%0.77651%0.509SS*.THydrogen-bonded Turntrans-53.7121.5173.557.40000109.7T4T4-S6 PolarHBondContact O-N 3.13Å
7G46.3Very low56.2Low74 Ų74101.5 Ų101.576%0.76352%0.52SS*.THydrogen-bonded Turntrans1005.2-17900000115.6P5P5-G7 PolarHBondContact O-N 3.42Å; P5-G7 VanDerWaalsContact O-N 3.15Å
8F53.3Low57.6Low101 Ų10198.8 Ų98.844%0.44350%0.504SS..  trans-64.7136.6164.6-170.6-116.9000110P5 C10 D11P5-F8 PolarHBondContact O-N 2.68Å; P5-F8 VanDerWaalsContact O-N 3.11Å; F8-C10 HydrophobicContact CD1-CB 3.65Å; F8-C10 HydrophobicContact CE1-CB 3.58Å; F8-C10 VanDerWaalsContact CE1-SG 3.52Å; F8-C10 PolarHBondContact O-N 3.45Å; F8-C10 VanDerWaalsContact O-N 3.08Å; F8-D11 HydrophobicContact CB-CB 4.45Å; F8-D11 WeakPolarHBondContact O-CB 3.29Å; F8-D11 PolarHBondContact O-N 2.79Å
9F61.8Low58.8Low150 Ų15097.5 Ų97.566%0.65849%0.492SS*.THydrogen-bonded Turntrans-59.8-28.1-17381.4-86.9000113.5
10C66.4Low59.8Low31 Ų31103.2 Ų103.221%0.20951%0.508CS..THydrogen-bonded Turntrans-78.8-15.6174.6-56.40000114.2F8 R12 L13 I14F8-C10 HydrophobicContact CD1-CB 3.65Å; F8-C10 HydrophobicContact CE1-CB 3.58Å; F8-C10 VanDerWaalsContact CE1-SG 3.52Å; F8-C10 PolarHBondContact O-N 3.45Å; F8-C10 VanDerWaalsContact O-N 3.08Å; C10-R12 PolarHBondContact O-N 3.31Å; C10-L13 PolarHBondContact O-N 3.08Å; C10-I14 HydrophobicContact CB-CD1 4.45Å; C10-I14 WeakPolarHBondContact O-CG1 3.21Å; C10-I14 PolarHBondContact O-N 3.21Å
11D67.3Low61Low17 Ų17104.2 Ų104.29%0.09152%0.515CS..Hα-helixtrans-54.9-39.8-178.2-173.825.6000110.6F8 I14 R15F8-D11 HydrophobicContact CB-CB 4.45Å; F8-D11 WeakPolarHBondContact O-CB 3.29Å; F8-D11 PolarHBondContact O-N 2.79Å; D11-I14 PolarHBondContact O-N 3.45Å; D11-R15 VanDerWaalsContact O-CG 3.31Å; D11-R15 WeakPolarHBondContact O-CG 3.36Å; D11-R15 PolarHBondContact O-N 3.36Å; D11-R15 IonicContact OD1-CZ 3.69Å; D11-R15 IonicContact OD1-NE 3.13Å; D11-R15 PolarHBondContact OD1-NE 3.26Å; D11-R15 VanDerWaalsContact OD1-NE 3.11Å; D11-R15 IonicContact OD1-NH2 3.98Å; D11-R15 IonicContact OD2-CZ 3.47Å; D11-R15 IonicContact OD2-NE 2.79Å; D11-R15 PolarHBondContact OD2-NE 3.04Å; D11-R15 IonicContact OD2-NH2 3.58Å; D11-R15 PolarHBondContact OD2-NH2 2.83Å
12R68.3Low63.3Low69 Ų6995.5 Ų95.526%0.2648%0.479SS..Hα-helixtrans-61-48.4175.3-172.1-173.565.3172.92.6112.9C10 I14 R15 E16 Q653C10-R12 PolarHBondContact O-N 3.31Å; R12-I14 PolarHBondContact O-N 3.29Å; R12-R15 PolarHBondContact O-N 2.9Å; R12-E16 IonicContact NE-OE1 3.42Å; R12-E16 WeakPolarHBondContact O-CG 3.38Å; R12-E16 PolarHBondContact O-N 2.81Å; R12-Q653 VanDerWaalsContact CZ-CD 3.47Å; R12-Q653 VanDerWaalsContact CZ-OE1 3.28Å; R12-Q653 VanDerWaalsContact NH1-CD 3.35Å; R12-Q653 VanDerWaalsContact NH2-CD 3.34Å
13L71.4Confident65.8Low78 Ų7891.9 Ų91.941%0.40845%0.452SS..Hα-helixtrans-63.6-34.7-179.9-71.5170.5000111.5C10 R17C10-L13 PolarHBondContact O-N 3.08Å; L13-R17 WeakPolarHBondContact O-CG 3.27Å; L13-R17 PolarHBondContact O-N 2.98Å
14I75.9Confident68.3Low59 Ų5981.9 Ų81.930%0.30341%0.414SS..Hα-helixtrans-66.4-51.1175.2-66.7166.6000109.6T4 C10 D11 R12 E16 R17 E18T4-I14 HydrophobicContact CG2-CD1 4Å; C10-I14 HydrophobicContact CB-CD1 4.45Å; C10-I14 WeakPolarHBondContact O-CG1 3.21Å; C10-I14 PolarHBondContact O-N 3.21Å; D11-I14 PolarHBondContact O-N 3.45Å; R12-I14 PolarHBondContact O-N 3.29Å; I14-E16 VanDerWaalsContact C-N 3.34Å; I14-E16 PolarHBondContact O-N 3.09Å; I14-R17 WeakPolarHBondContact O-CB 3.45Å; I14-R17 PolarHBondContact O-N 3.05Å; I14-E18 HydrophobicContact CG2-CG 4.26Å; I14-E18 WeakPolarHBondContact CG2-OE1 3.2Å; I14-E18 WeakPolarHBondContact O-CG 3.31Å; I14-E18 PolarHBondContact O-N 3.48Å
15R72.7Confident70.7Confident114 Ų11480.9 Ų80.943%0.4341%0.41SS..Hα-helixtrans-60.6-39.6178.7-70.7179.6-165.7-160.56.5113.3D11 R12 R17 E18 R19D11-R15 VanDerWaalsContact O-CG 3.31Å; D11-R15 WeakPolarHBondContact O-CG 3.36Å; D11-R15 PolarHBondContact O-N 3.36Å; D11-R15 IonicContact OD1-CZ 3.69Å; D11-R15 IonicContact OD1-NE 3.13Å; D11-R15 PolarHBondContact OD1-NE 3.26Å; D11-R15 VanDerWaalsContact OD1-NE 3.11Å; D11-R15 IonicContact OD1-NH2 3.98Å; D11-R15 IonicContact OD2-CZ 3.47Å; D11-R15 IonicContact OD2-NE 2.79Å; D11-R15 PolarHBondContact OD2-NE 3.04Å; D11-R15 IonicContact OD2-NH2 3.58Å; D11-R15 PolarHBondContact OD2-NH2 2.83Å; R12-R15 PolarHBondContact O-N 2.9Å; R15-R17 VanDerWaalsContact C-N 3.28Å; R15-R17 PolarHBondContact O-N 2.9Å; R15-E18 PolarHBondContact O-N 3.19Å; R15-R19 WeakPolarHBondContact O-CB 3.38Å; R15-R19 WeakPolarHBondContact O-CG 3.13Å; R15-R19 PolarHBondContact O-N 3.32Å
16E74.6Confident72.9Confident54 Ų5479.7 Ų79.725%0.25240%0.399SS..Hα-helixtrans-61.4-37.4175.3-78176.5-169.200111.9R12 I14 R20R12-E16 IonicContact NE-OE1 3.42Å; R12-E16 WeakPolarHBondContact O-CG 3.38Å; R12-E16 PolarHBondContact O-N 2.81Å; I14-E16 VanDerWaalsContact C-N 3.34Å; I14-E16 PolarHBondContact O-N 3.09Å; E16-R20 WeakPolarHBondContact O-CG 3.48Å; E16-R20 PolarHBondContact O-N 2.91Å
17R79.6Confident75Confident181 Ų18182.1 Ų82.168%0.68340%0.403SS*.Hα-helixtrans-70.9-46.7174-70.6175.4-179.7-170.6-0.3111.5L13 I14 R15 R19 R20 D21L13-R17 WeakPolarHBondContact O-CG 3.27Å; L13-R17 PolarHBondContact O-N 2.98Å; I14-R17 WeakPolarHBondContact O-CB 3.45Å; I14-R17 PolarHBondContact O-N 3.05Å; R15-R17 VanDerWaalsContact C-N 3.28Å; R15-R17 PolarHBondContact O-N 2.9Å; R17-R19 VanDerWaalsContact C-N 3.28Å; R17-R19 PolarHBondContact O-N 3.44Å; R17-R20 WeakPolarHBondContact O-CA 3Å; R17-R20 WeakPolarHBondContact O-CB 3.46Å; R17-R20 PolarHBondContact O-N 3.13Å; R17-D21 PolarHBondContact O-N 3.38Å; R17-D21 VanDerWaalsContact O-N 3.13Å
18E82Confident77.2Confident52 Ų5283.1 Ų83.124%0.24339%0.387CS..Hα-helixtrans-57.2-40.4178.2-77174168.100112.2I14 R15 R20 D21 G22 E23I14-E18 HydrophobicContact CG2-CG 4.26Å; I14-E18 WeakPolarHBondContact CG2-OE1 3.2Å; I14-E18 WeakPolarHBondContact O-CG 3.31Å; I14-E18 PolarHBondContact O-N 3.48Å; R15-E18 PolarHBondContact O-N 3.19Å; E18-R20 PolarHBondContact O-N 2.82Å; E18-D21 CarbonylContact O-C 3.5Å; E18-D21 WeakPolarHBondContact O-CA 3.27Å; E18-D21 WeakPolarHBondContact O-CB 3.45Å; E18-D21 PolarHBondContact O-N 3.41Å; E18-D21 VanDerWaalsContact O-N 3.09Å; E18-G22 PolarHBondContact O-N 3.09Å; E18-E23 HydrophobicContact CB-CB 3.97Å; E18-E23 HydrophobicContact CB-CG 4.4Å; E18-E23 WeakPolarHBondContact CB-OE2 3.29Å; E18-E23 WeakPolarHBondContact CG-OE2 3.4Å; E18-E23 WeakPolarHBondContact O-CB 3.26Å; E18-E23 PolarHBondContact O-N 2.62Å
19R79.8Confident79.1Confident74 Ų7479.6 Ų79.628%0.27937%0.374SS..Hα-helixtrans-63.1-38.2173.4-77.6-175.8-171.9144.8-6.3113.2R15 R17 D21 G22 E23 D153 E371R15-R19 WeakPolarHBondContact O-CB 3.38Å; R15-R19 WeakPolarHBondContact O-CG 3.13Å; R15-R19 PolarHBondContact O-N 3.32Å; R17-R19 VanDerWaalsContact C-N 3.28Å; R17-R19 PolarHBondContact O-N 3.44Å; R19-D21 PolarHBondContact O-N 3.49Å; R19-G22 WeakPolarHBondContact O-CA 3.37Å; R19-G22 PolarHBondContact O-N 3.26Å; R19-E23 WeakPolarHBondContact CA-O 3.27Å; R19-D153 IonicContact CZ-OD1 3.88Å; R19-D153 IonicContact CZ-OD2 2.78Å; R19-D153 IonicContact NE-OD1 2.8Å; R19-D153 PolarHBondContact NE-OD1 3.26Å; R19-D153 IonicContact NE-OD2 3.84Å; R19-D153 PolarHBondContact NE-OD2 3.01Å; R19-D153 VanDerWaalsContact NE-OD2 3.12Å; R19-D153 IonicContact NH2-OD1 3.85Å; R19-D153 IonicContact NH2-OD2 2.95Å; R19-D153 PolarHBondContact NH2-OD2 3.26Å; R19-E371 IonicContact CZ-OE1 3.91Å; R19-E371 IonicContact CZ-OE2 2.66Å; R19-E371 IonicContact NH1-OE1 3.17Å; R19-E371 PolarHBondContact NH1-OE1 3.05Å; R19-E371 IonicContact NH1-OE2 2.66Å; R19-E371 PolarHBondContact NH1-OE2 3.44Å; R19-E371 IonicContact NH2-OE1 2.73Å; R19-E371 PolarHBondContact NH2-OE1 3.16Å; R19-E371 IonicContact NH2-OE2 3.04Å; R19-E371 PolarHBondContact NH2-OE2 3.07Å
20R80.6Confident80.6Confident211 Ų21174.9 Ų74.980%0.79636%0.355SS*.Hα-helixtrans-62.8-30.4173.8-69175-176.1-168.72111.4E16 R17 E18 G22E16-R20 WeakPolarHBondContact O-CG 3.48Å; E16-R20 PolarHBondContact O-N 2.91Å; R17-R20 WeakPolarHBondContact O-CA 3Å; R17-R20 WeakPolarHBondContact O-CB 3.46Å; R17-R20 PolarHBondContact O-N 3.13Å; E18-R20 PolarHBondContact O-N 2.82Å; R20-G22 PolarHBondContact O-N 3.49Å
21D83.3Confident81.9Confident125 Ų12579.8 Ų79.867%0.66837%0.369SS*.THydrogen-bonded Turntrans-85.212.8173.2-63-22.8000113.3R17 E18 R19R17-D21 PolarHBondContact O-N 3.38Å; R17-D21 VanDerWaalsContact O-N 3.13Å; E18-D21 CarbonylContact O-C 3.5Å; E18-D21 WeakPolarHBondContact O-CA 3.27Å; E18-D21 WeakPolarHBondContact O-CB 3.45Å; E18-D21 PolarHBondContact O-N 3.41Å; E18-D21 VanDerWaalsContact O-N 3.09Å; R19-D21 PolarHBondContact O-N 3.49Å
22G83.9Confident83.2Confident26 Ų2680.7 Ų80.727%0.26837%0.372SS..THydrogen-bonded Turntrans84.86.7173.400000115.8E18 R19 R20 S25E18-G22 PolarHBondContact O-N 3.09Å; R19-G22 WeakPolarHBondContact O-CA 3.37Å; R19-G22 PolarHBondContact O-N 3.26Å; R20-G22 PolarHBondContact O-N 3.49Å; G22-S25 WeakPolarHBondContact O-CB 3.47Å; G22-S25 PolarHBondContact O-N 3.44Å; G22-S25 PolarHBondContact O-OG 2.89Å
23E88.3Confident84.3Confident46 Ų4682 Ų8222%0.21539%0.385CS..THydrogen-bonded Turntrans-66139.7172.1-168.8149.2-158.700111.1E18 R19 S25 K28 I30E18-E23 HydrophobicContact CB-CB 3.97Å; E18-E23 HydrophobicContact CB-CG 4.4Å; E18-E23 WeakPolarHBondContact CB-OE2 3.29Å; E18-E23 WeakPolarHBondContact CG-OE2 3.4Å; E18-E23 WeakPolarHBondContact O-CB 3.26Å; E18-E23 PolarHBondContact O-N 2.62Å; R19-E23 WeakPolarHBondContact CA-O 3.27Å; E23-S25 PolarHBondContact O-N 3.14Å; E23-K28 HydrophobicContact CB-CD 4.44Å; E23-I30 HydrophobicContact CG-CG1 4.06Å
24G86.3Confident85.3Confident5 Ų581.2 Ų81.25%0.05240%0.396CS..THydrogen-bonded Turntrans82-1.9-170.400000114.1K28 D153 W154G24-K28 PolarHBondContact N-O 3.38Å; G24-D153 CarbonylContact O-C 3.55Å; G24-D153 WeakPolarHBondContact O-CA 3.3Å; G24-W154 PolarHBondContact O-N 2.85Å
25S87Confident86.3Confident46 Ų4679.7 Ų79.732%0.32239%0.387SS..BIsolated β-bridgetrans-75.7165.7168730000111.9G22 E23 N27 K28G22-S25 WeakPolarHBondContact O-CB 3.47Å; G22-S25 PolarHBondContact O-N 3.44Å; G22-S25 PolarHBondContact O-OG 2.89Å; E23-S25 PolarHBondContact O-N 3.14Å; S25-N27 PolarHBondContact O-N 3.36Å; S25-K28 CarbonylContact O-C 3.56Å; S25-K28 PolarHBondContact O-N 2.93Å; S25-K28 VanDerWaalsContact O-N 3.14Å; S25-K28 PolarHBondContact OG-N 3.41Å
26L81.7Confident87.4Confident50 Ų5075.9 Ų75.926%0.26238%0.375SS..THydrogen-bonded Turntrans-52.6-37.5173.6-78.9165.1000113.2W154 D355L26-W154 HydrophobicContact CD2-CD2 3.65Å; L26-W154 HydrophobicContact CD2-CE3 4.29Å; L26-W154 HydrophobicContact CD2-CG 3.98Å; L26-W154 HydrophobicContact CD2-CH2 4.3Å; L26-W154 HydrophobicContact CD2-CZ2 3.67Å; L26-W154 HydrophobicContact CG-CD2 4.44Å; L26-W154 HydrophobicContact CG-CG 4.32Å; L26-D355 HydrophobicContact CD1-CB 4.35Å
27N85.7Confident88.5Confident161 Ų16173.7 Ų73.786%0.86137%0.365SS*.THydrogen-bonded Turntrans-85.9-15.9-175.7-64.3-30.6000113.1S25S25-N27 PolarHBondContact O-N 3.36Å
28K90.8Very high89.3Confident95 Ų9568.9 Ų68.941%0.41335%0.352SS..BIsolated β-bridgetrans-141.766.8-178.8-169-174.6173-160.40109.1E23 G24 S25E23-K28 HydrophobicContact CB-CD 4.44Å; G24-K28 PolarHBondContact N-O 3.38Å; S25-K28 CarbonylContact O-C 3.56Å; S25-K28 PolarHBondContact O-N 2.93Å; S25-K28 VanDerWaalsContact O-N 3.14Å; S25-K28 PolarHBondContact OG-N 3.41Å
29P92.9Very high90Very high27 Ų2770.6 Ų70.618%0.17537%0.367CS..  trans-65.3149.2-178.528.8-36.1000110.9R31 W154 D156P29-R31 PolarHBondContact O-N 3.18Å; P29-W154 CarbonylContact C-O 3.52Å; P29-W154 VanDerWaalsContact CA-O 3.27Å; P29-W154 WeakPolarHBondContact CA-O 3.32Å; P29-W154 HydrophobicContact CB-CB 4.11Å; P29-W154 WeakPolarHBondContact CB-O 3.32Å; P29-D156 HydrophobicContact CB-CB 4.1Å; P29-D156 HydrophobicContact CG-CB 3.93Å
30I93.4Very high90.8Very high52 Ų5268.9 Ų68.927%0.26736%0.363SS..EExtended strand (participates in β ladder)trans-65.1132.2174.7-64.4173.2000108.9E23 F32 D153 W154 V155 D156E23-I30 HydrophobicContact CG-CG1 4.06Å; I30-F32 PolarHBondContact O-N 3.36Å; I30-D153 HydrophobicContact CD1-CB 3.56Å; I30-D153 HydrophobicContact CG1-CB 4.43Å; I30-W154 PolarHBondContact N-O 3.01Å; I30-V155 HydrophobicContact CB-CG2 4.31Å; I30-V155 CarbonylContact O-C 3.57Å; I30-V155 WeakPolarHBondContact O-CA 3.32Å; I30-D156 PolarHBondContact O-N 3.47Å
31R94.7Very high91.6Very high134 Ų13461 Ų6151%0.50633%0.333SS..EExtended strand (participates in β ladder)trans-76.6111.3176.8-68172.9177.2158.6-3.5110.7P29 N33 G34 Q35 D36P29-R31 PolarHBondContact O-N 3.18Å; R31-N33 PolarHBondContact O-N 2.97Å; R31-G34 PolarHBondContact O-N 2.85Å; R31-G34 VanDerWaalsContact O-N 3.08Å; R31-Q35 WeakPolarHBondContact CB-O 3.49Å; R31-D36 IonicContact CZ-OD2 3.15Å; R31-D36 IonicContact NE-OD2 2.78Å; R31-D36 PolarHBondContact NE-OD2 3.47Å; R31-D36 IonicContact NH2-OD2 2.75Å; R31-D36 PolarHBondContact NH2-OD2 2.99Å
32F94.2Very high92.3Very high35 Ų3560.5 Ų60.515%0.15433%0.327CS..G310 helixtrans-63.3128177.8-171.1-108.2000111I30 G34 Q35 V155 D156 V157 K192 L193I30-F32 PolarHBondContact O-N 3.36Å; F32-G34 PolarHBondContact O-N 3.16Å; F32-G34 VanDerWaalsContact O-N 3.08Å; F32-Q35 PolarHBondContact O-N 3.23Å; F32-Q35 VanDerWaalsContact O-N 3.13Å; F32-V155 HydrophobicContact CB-CG1 3.8Å; F32-V155 HydrophobicContact CD2-CG1 4.1Å; F32-V155 HydrophobicContact CG-CG1 4.39Å; F32-D156 WeakPolarHBondContact CB-O 3.38Å; F32-D156 PolarHBondContact N-O 3.35Å; F32-V157 HydrophobicContact CB-CB 4.48Å; F32-V157 HydrophobicContact CB-CG2 3.95Å; F32-V157 HydrophobicContact CD1-CG1 4.21Å; F32-V157 HydrophobicContact CD1-CG2 4.47Å; F32-V157 HydrophobicContact CG-CG2 4.12Å; F32-K192 HydrophobicContact CD1-CD 4.48Å; F32-K192 HydrophobicContact CD1-CG 4.41Å; F32-K192 HydrophobicContact CE1-CD 4.31Å; F32-K192 HydrophobicContact CE1-CG 3.82Å; F32-L193 HydrophobicContact CD2-CD1 3.83Å; F32-L193 HydrophobicContact CE2-CD1 3.67Å; F32-L193 HydrophobicContact CZ-CD1 4.29Å
33N91.5Very high93Very high97 Ų9761.5 Ų61.552%0.51933%0.326SS..G310 helixtrans5226-173.7-64.3-24.9000114.2R31 Q35 A55R31-N33 PolarHBondContact O-N 2.97Å; N33-Q35 PolarHBondContact O-N 3.02Å; N33-A55 HydrophobicContact CB-CB 4.39Å; N33-A55 WeakPolarHBondContact ND2-CB 3.27Å
34G92.1Very high93.4Very high62 Ų6261.2 Ų61.264%0.63932%0.323SS*.G310 helixtrans68.811.4-179.500000114.9R31 F32R31-G34 PolarHBondContact O-N 2.85Å; R31-G34 VanDerWaalsContact O-N 3.08Å; F32-G34 PolarHBondContact O-N 3.16Å; F32-G34 VanDerWaalsContact O-N 3.08Å
35Q96.4Very high93.9Very high27 Ų2763.8 Ų63.813%0.12634%0.336CS..  trans-80.4130.9179.1-68.3174.1-47.200110.6R31 F32 N33 L40 D53 V158R31-Q35 WeakPolarHBondContact CB-O 3.49Å; F32-Q35 PolarHBondContact O-N 3.23Å; F32-Q35 VanDerWaalsContact O-N 3.13Å; N33-Q35 PolarHBondContact O-N 3.02Å; Q35-L40 HydrophobicContact CB-CD1 3.85Å; Q35-L40 HydrophobicContact CG-CD1 4.17Å; Q35-D53 PolarHBondContact NE2-OD1 3.38Å; Q35-V158 HydrophobicContact CB-CB 4.17Å; Q35-V158 HydrophobicContact CB-CG2 4.08Å
36D96.6Very high94.4Very high33 Ų3368.8 Ų68.818%0.17635%0.354CS..  trans-111.7116.1175.7-178.5-93.9000110R31 N38 T39 L40R31-D36 IonicContact CZ-OD2 3.15Å; R31-D36 IonicContact NE-OD2 2.78Å; R31-D36 PolarHBondContact NE-OD2 3.47Å; R31-D36 IonicContact NH2-OD2 2.75Å; R31-D36 PolarHBondContact NH2-OD2 2.99Å; D36-N38 PolarHBondContact O-N 3.17Å; D36-N38 PolarHBondContact OD1-N 3.37Å; D36-T39 PolarHBondContact O-N 3.39Å; D36-T39 VanDerWaalsContact OD1-CB 3.23Å; D36-T39 WeakPolarHBondContact OD1-CB 3.25Å; D36-T39 PolarHBondContact OD1-N 3.34Å; D36-T39 PolarHBondContact OD1-OG1 3Å; D36-L40 WeakPolarHBondContact O-CB 3.44Å; D36-L40 VanDerWaalsContact O-CG 3.31Å; D36-L40 WeakPolarHBondContact O-CG 3.01Å; D36-L40 PolarHBondContact O-N 3.25Å
37Y97.2Very high95.2Very high8 Ų873.6 Ų73.63%0.03137%0.368CS..Hα-helixtrans-54.7-49.8-175.7172-108.5000112.6L40 R41 I143 H145Y37-L40 PolarHBondContact O-N 2.79Å; Y37-R41 WeakPolarHBondContact O-CB 3.4Å; Y37-R41 PolarHBondContact O-N 3.27Å; Y37-R41 WeakPolarHBondContact OH-CD 3.32Å; Y37-R41 PolarHBondContact OH-NH1 3.03Å; Y37-I143 HydrophobicContact CD2-CD1 4.23Å; Y37-I143 HydrophobicContact CD2-CG1 4.02Å; Y37-I143 HydrophobicContact CE2-CG1 4.14Å; Y37-I143 HydrophobicContact CE2-CG2 4.17Å; Y37-H145 AromaticContact CD1-CD2 3.71Å; Y37-H145 AromaticContact CD1-NE2 3.74Å; Y37-H145 HydrophobicContact CD2-CB 3.84Å; Y37-H145 AromaticContact CD2-CD2 3.83Å; Y37-H145 AromaticContact CD2-CG 3.88Å; Y37-H145 AromaticContact CE1-CD2 3.81Å; Y37-H145 AromaticContact CE1-NE2 3.85Å; Y37-H145 AromaticContact CE2-CD2 3.93Å; Y37-H145 HydrophobicContact CG-CB 4Å; Y37-H145 AromaticContact CG-CD2 3.71Å; Y37-H145 AromaticContact CG-CG 3.67Å; Y37-H145 AromaticContact CZ-CD2 3.91Å
38N96.1Very high95.7Very high80 Ų8075.1 Ų75.143%0.42837%0.367SS..Hα-helixtrans-66.3-44-174.7-75-51.3000111.9D36 Q42D36-N38 PolarHBondContact O-N 3.17Å; D36-N38 PolarHBondContact OD1-N 3.37Å; N38-Q42 WeakPolarHBondContact O-CB 3.28Å; N38-Q42 VanDerWaalsContact O-CG 3.28Å; N38-Q42 WeakPolarHBondContact O-CG 3.45Å; N38-Q42 PolarHBondContact O-N 3.05Å
39T97.3Very high96Very high88 Ų8874 Ų7454%0.5437%0.369SS..Hα-helixtrans-63.7-48.5178.1-55.60000111D36 Q42 D43D36-T39 PolarHBondContact O-N 3.39Å; D36-T39 VanDerWaalsContact OD1-CB 3.23Å; D36-T39 WeakPolarHBondContact OD1-CB 3.25Å; D36-T39 PolarHBondContact OD1-N 3.34Å; D36-T39 PolarHBondContact OD1-OG1 3Å; T39-Q42 PolarHBondContact O-N 3.17Å; T39-D43 PolarHBondContact O-N 3.43Å
40L97.7Very high96.2Very high39 Ų3976 Ų7620%0.20438%0.378CS..Hα-helixtrans-64.6-46.3179.1-70.6170.4000111.2Q35 D36 Y37 Q42 D43 Y44 F51 I143 V158Q35-L40 HydrophobicContact CB-CD1 3.85Å; Q35-L40 HydrophobicContact CG-CD1 4.17Å; D36-L40 WeakPolarHBondContact O-CB 3.44Å; D36-L40 VanDerWaalsContact O-CG 3.31Å; D36-L40 WeakPolarHBondContact O-CG 3.01Å; D36-L40 PolarHBondContact O-N 3.25Å; Y37-L40 PolarHBondContact O-N 2.79Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.07Å; L40-D43 PolarHBondContact O-N 3.37Å; L40-Y44 HydrophobicContact CD2-CE2 4.45Å; L40-Y44 VanDerWaalsContact O-CD2 3.29Å; L40-Y44 WeakPolarHBondContact O-CD2 3.42Å; L40-Y44 PolarHBondContact O-N 2.55Å; L40-F51 HydrophobicContact CD1-CE2 4.2Å; L40-F51 HydrophobicContact CD1-CZ 4.27Å; L40-F51 HydrophobicContact CD2-CE2 4.47Å; L40-I143 HydrophobicContact CB-CD1 3.57Å; L40-I143 HydrophobicContact CD1-CD1 4.42Å; L40-V158 HydrophobicContact CD1-CG1 4.3Å
41R97.5Very high96.5Very high45 Ų4573.8 Ų73.817%0.1737%0.366CS..Hα-helixtrans-57.5-45177.7-175.5176.169.6174.92.8111.5Y37 L45 I143Y37-R41 WeakPolarHBondContact O-CB 3.4Å; Y37-R41 PolarHBondContact O-N 3.27Å; Y37-R41 WeakPolarHBondContact OH-CD 3.32Å; Y37-R41 PolarHBondContact OH-NH1 3.03Å; R41-L45 HydrophobicContact CG-CD1 3.92Å; R41-L45 HydrophobicContact CG-CG 4.41Å; R41-L45 WeakPolarHBondContact O-CB 3.44Å; R41-L45 WeakPolarHBondContact O-CG 3.46Å; R41-L45 PolarHBondContact O-N 3.47Å; R41-I143 HydrophobicContact CB-CG2 3.87Å; R41-I143 HydrophobicContact CG-CG2 3.91Å
42Q97.6Very high96.7Very high114 Ų11472.6 Ų72.653%0.53337%0.366SS..Hα-helixtrans-63.3-44.9178-74.9178.93.200112.6N38 T39 L40 L45 Q46N38-Q42 WeakPolarHBondContact O-CB 3.28Å; N38-Q42 VanDerWaalsContact O-CG 3.28Å; N38-Q42 WeakPolarHBondContact O-CG 3.45Å; N38-Q42 PolarHBondContact O-N 3.05Å; T39-Q42 PolarHBondContact O-N 3.17Å; L40-Q42 VanDerWaalsContact C-N 3.31Å; L40-Q42 PolarHBondContact O-N 3.07Å; Q42-L45 PolarHBondContact O-N 3.29Å; Q42-Q46 VanDerWaalsContact O-CG 3.29Å; Q42-Q46 WeakPolarHBondContact O-CG 3.37Å; Q42-Q46 PolarHBondContact O-N 2.74Å
43D97.8Very high96.8Very high47 Ų4771 Ų7125%0.25136%0.359SS..Hα-helixtrans-60.8-46.9178.2179.751.6000111.8T39 L40 Q46 R47T39-D43 PolarHBondContact O-N 3.43Å; L40-D43 PolarHBondContact O-N 3.37Å; D43-Q46 PolarHBondContact O-N 3.48Å; D43-R47 VanDerWaalsContact CG-CZ 3.49Å; D43-R47 VanDerWaalsContact CG-NE 3.29Å; D43-R47 VanDerWaalsContact CG-NH2 3.27Å; D43-R47 WeakPolarHBondContact O-CG 3.33Å; D43-R47 PolarHBondContact O-N 3.14Å; D43-R47 IonicContact OD1-CZ 2.88Å; D43-R47 IonicContact OD1-NE 3.67Å; D43-R47 PolarHBondContact OD1-NE 3.08Å; D43-R47 IonicContact OD1-NH2 3.04Å; D43-R47 PolarHBondContact OD1-NH2 2.95Å; D43-R47 IonicContact OD2-CZ 2.82Å; D43-R47 IonicContact OD2-NE 2.87Å; D43-R47 PolarHBondContact OD2-NE 3.06Å; D43-R47 IonicContact OD2-NH1 3Å; D43-R47 IonicContact OD2-NH2 3.05Å; D43-R47 PolarHBondContact OD2-NH2 3.49Å
44Y97.5Very high97.1Very high41 Ų4175.1 Ų75.116%0.16138%0.375CS..Hα-helixtrans-69.9-33.6179.4-81.9-94.4000113.1L40 R47 K48 T49 L50 F51L40-Y44 HydrophobicContact CD2-CE2 4.45Å; L40-Y44 VanDerWaalsContact O-CD2 3.29Å; L40-Y44 WeakPolarHBondContact O-CD2 3.42Å; L40-Y44 PolarHBondContact O-N 2.55Å; Y44-R47 PolarHBondContact O-N 2.96Å; Y44-K48 PolarHBondContact O-N 3.35Å; Y44-T49 WeakPolarHBondContact CD1-OG1 3.45Å; Y44-T49 PolarHBondContact O-N 3.32Å; Y44-L50 VanDerWaalsContact CD1-C 3.49Å; Y44-L50 WeakPolarHBondContact CE1-O 3.47Å; Y44-F51 HydrophobicContact CD1-CB 4.26Å; Y44-F51 HydrophobicContact CD2-CB 4.48Å; Y44-F51 HydrophobicContact CD2-CD2 4.04Å; Y44-F51 HydrophobicContact CE1-CB 4.39Å; Y44-F51 HydrophobicContact CE1-CD2 4.31Å; Y44-F51 AromaticContact CE2-CD2 3.52Å; Y44-F51 HydrophobicContact CE2-CD2 3.52Å; Y44-F51 HydrophobicContact CE2-CE2 4.21Å; Y44-F51 HydrophobicContact CG-CB 4.31Å; Y44-F51 AromaticContact CZ-CD2 3.65Å
45L97.1Very high97.2Very high59 Ų5974.1 Ų74.131%0.30936%0.361SS..Hα-helixtrans-62.4-42.6170.1-75.4170.8000112R41 Q42 K48 N139 A141R41-L45 HydrophobicContact CG-CD1 3.92Å; R41-L45 HydrophobicContact CG-CG 4.41Å; R41-L45 WeakPolarHBondContact O-CB 3.44Å; R41-L45 WeakPolarHBondContact O-CG 3.46Å; R41-L45 PolarHBondContact O-N 3.47Å; Q42-L45 PolarHBondContact O-N 3.29Å; L45-K48 PolarHBondContact O-N 3.35Å; L45-N139 HydrophobicContact CD1-CB 3.97Å; L45-A141 HydrophobicContact CD2-CB 4.1Å; L45-A141 HydrophobicContact CG-CB 4.05Å
46Q97.4Very high97.3Very high151 Ų15173.1 Ų73.171%0.70636%0.356SS*.Hα-helixtrans-65.2-41.8177.2-72.7174.618.500111.9Q42 D43 K48Q42-Q46 VanDerWaalsContact O-CG 3.29Å; Q42-Q46 WeakPolarHBondContact O-CG 3.37Å; Q42-Q46 PolarHBondContact O-N 2.74Å; D43-Q46 PolarHBondContact O-N 3.48Å; Q46-K48 VanDerWaalsContact C-N 3.27Å; Q46-K48 PolarHBondContact O-N 2.72Å
47R96.9Very high97.3Very high151 Ų15174 Ų7457%0.5736%0.364SS*.Hα-helixtrans-73.3-16.8177.5-67.1176.4-167-165.76.9113.7D43 Y44 T49D43-R47 VanDerWaalsContact CG-CZ 3.49Å; D43-R47 VanDerWaalsContact CG-NE 3.29Å; D43-R47 VanDerWaalsContact CG-NH2 3.27Å; D43-R47 WeakPolarHBondContact O-CG 3.33Å; D43-R47 PolarHBondContact O-N 3.14Å; D43-R47 IonicContact OD1-CZ 2.88Å; D43-R47 IonicContact OD1-NE 3.67Å; D43-R47 PolarHBondContact OD1-NE 3.08Å; D43-R47 IonicContact OD1-NH2 3.04Å; D43-R47 PolarHBondContact OD1-NH2 2.95Å; D43-R47 IonicContact OD2-CZ 2.82Å; D43-R47 IonicContact OD2-NE 2.87Å; D43-R47 PolarHBondContact OD2-NE 3.06Å; D43-R47 IonicContact OD2-NH1 3Å; D43-R47 IonicContact OD2-NH2 3.05Å; D43-R47 PolarHBondContact OD2-NH2 3.49Å; Y44-R47 PolarHBondContact O-N 2.96Å; R47-T49 HydrophobicContact CB-CG2 4.46Å; R47-T49 WeakPolarHBondContact CB-OG1 3.27Å; R47-T49 PolarHBondContact O-N 3.24Å
48K96.5Very high97.3Very high193 Ų19374.9 Ų74.984%0.83937%0.373SS*.THydrogen-bonded Turntrans5736.3-172.8-55.6-179.8179.7178.90112.6Y44 L45 Q46Y44-K48 PolarHBondContact O-N 3.35Å; L45-K48 PolarHBondContact O-N 3.35Å; Q46-K48 VanDerWaalsContact C-N 3.27Å; Q46-K48 PolarHBondContact O-N 2.72Å
49T97.4Very high97.3Very high71 Ų7173.7 Ų73.744%0.43637%0.369SS..  trans-117.8159.6175.851.60000109.6Y44 R47Y44-T49 WeakPolarHBondContact CD1-OG1 3.45Å; Y44-T49 PolarHBondContact O-N 3.32Å; R47-T49 HydrophobicContact CB-CG2 4.46Å; R47-T49 WeakPolarHBondContact CB-OG1 3.27Å; R47-T49 PolarHBondContact O-N 3.24Å
50L98.3Very high97.2Very high70 Ų7071.1 Ų71.137%0.36635%0.353SS..  trans-91.3142.9176-59.3179.8000110.4Y44 Y140 A141Y44-L50 VanDerWaalsContact CD1-C 3.49Å; Y44-L50 WeakPolarHBondContact CE1-O 3.47Å; L50-Y140 HydrophobicContact CD1-CE1 4.44Å; L50-Y140 HydrophobicContact CD2-CD1 4.06Å; L50-Y140 HydrophobicContact CD2-CE1 3.51Å; L50-A141 WeakPolarHBondContact CA-O 3.27Å
51F98.4Very high97Very high5 Ų574.3 Ų74.32%0.02237%0.367CS..  trans-62.9134.3177.9-179.7-121.4000110.9L40 Y44 D53 R82 A141 I143 V158 D160L40-F51 HydrophobicContact CD1-CE2 4.2Å; L40-F51 HydrophobicContact CD1-CZ 4.27Å; L40-F51 HydrophobicContact CD2-CE2 4.47Å; Y44-F51 HydrophobicContact CD1-CB 4.26Å; Y44-F51 HydrophobicContact CD2-CB 4.48Å; Y44-F51 HydrophobicContact CD2-CD2 4.04Å; Y44-F51 HydrophobicContact CE1-CB 4.39Å; Y44-F51 HydrophobicContact CE1-CD2 4.31Å; Y44-F51 AromaticContact CE2-CD2 3.52Å; Y44-F51 HydrophobicContact CE2-CD2 3.52Å; Y44-F51 HydrophobicContact CE2-CE2 4.21Å; Y44-F51 HydrophobicContact CG-CB 4.31Å; Y44-F51 AromaticContact CZ-CD2 3.65Å; F51-D53 HydrophobicContact CE1-CB 3.76Å; F51-D53 HydrophobicContact CZ-CB 4.04Å; F51-R82 PolarHBondContact O-NH1 3.46Å; F51-R82 PolarHBondContact O-NH2 3.07Å; F51-A141 PolarHBondContact N-O 2.85Å; F51-I143 HydrophobicContact CB-CB 3.78Å; F51-I143 HydrophobicContact CB-CD1 4.41Å; F51-I143 HydrophobicContact CB-CG1 4.35Å; F51-I143 HydrophobicContact CD1-CB 3.89Å; F51-I143 HydrophobicContact CD1-CD1 3.87Å; F51-I143 HydrophobicContact CD1-CG1 3.63Å; F51-I143 HydrophobicContact CD2-CD1 4.36Å; F51-I143 HydrophobicContact CE1-CD1 4.21Å; F51-I143 HydrophobicContact CE1-CG1 4.15Å; F51-I143 HydrophobicContact CG-CB 4.06Å; F51-I143 HydrophobicContact CG-CD1 3.96Å; F51-I143 HydrophobicContact CG-CG1 4.07Å; F51-V158 HydrophobicContact CE1-CG1 3.97Å; F51-V158 HydrophobicContact CZ-CG1 4.34Å; F51-D160 HydrophobicContact CD1-CB 3.7Å; F51-D160 HydrophobicContact CE1-CB 4.3Å; F51-D160 HydrophobicContact CG-CB 4.47Å; F51-D160 VanDerWaalsContact O-CB 3.27Å; F51-D160 WeakPolarHBondContact O-CB 3.39Å
52E98.3Very high97Very high109 Ų10972.3 Ų72.351%0.50936%0.36SS..  trans-122.4118170.4-65.5-160.5-167.500108.5E54 R162E52-E54 PolarHBondContact O-N 2.91Å; E52-E54 VanDerWaalsContact O-N 3.16Å; E52-R162 IonicContact OE1-NH1 2.74Å; E52-R162 IonicContact OE2-CZ 2.62Å; E52-R162 IonicContact OE2-NH1 3.33Å; E52-R162 PolarHBondContact OE2-NH1 3.47Å; E52-R162 IonicContact OE2-NH2 3.1Å
53D97.9Very high96.9Very high1 Ų167 Ų671%0.00534%0.335CS..  trans-80.999.2-173.4-1705.9000111.6Q35 F51 A55 F56 P57 D160 K192Q35-D53 PolarHBondContact NE2-OD1 3.38Å; F51-D53 HydrophobicContact CE1-CB 3.76Å; F51-D53 HydrophobicContact CZ-CB 4.04Å; D53-A55 PolarHBondContact O-N 3.43Å; D53-A55 WeakPolarHBondContact OD1-CB 3.44Å; D53-A55 PolarHBondContact OD1-N 3.31Å; D53-F56 CarbonylContact O-C 3.56Å; D53-F56 PolarHBondContact O-N 3.22Å; D53-P57 WeakPolarHBondContact O-CA 3.4Å; D53-D160 HydrophobicContact CB-CB 4.31Å; D53-D160 WeakPolarHBondContact CB-OD2 3.36Å; D53-D160 PolarHBondContact N-OD2 3.03Å; D53-K192 IonicContact OD1-NZ 3.87Å; D53-K192 PolarHBondContact OD1-NZ 3.5Å; D53-K192 WeakPolarHBondContact OD2-CD 3.48Å; D53-K192 WeakPolarHBondContact OD2-CE 3.31Å; D53-K192 IonicContact OD2-NZ 3.47Å; D53-K192 PolarHBondContact OD2-NZ 3.32Å
54E96.1Very high96.7Very high183 Ų18365 Ų6586%0.85533%0.325SS*.THydrogen-bonded Turntrans-63-25.9176.3-62.7-175.3169.500112.7E52 F56E52-E54 PolarHBondContact O-N 2.91Å; E52-E54 VanDerWaalsContact O-N 3.16Å; E54-F56 VanDerWaalsContact C-N 3.34Å
55A95.3Very high96.3Very high42 Ų4267.3 Ų67.335%0.34734%0.336SS..THydrogen-bonded Turntrans-82.3-13.2-179.700000113.4N33 D53N33-A55 HydrophobicContact CB-CB 4.39Å; N33-A55 WeakPolarHBondContact ND2-CB 3.27Å; D53-A55 PolarHBondContact O-N 3.43Å; D53-A55 WeakPolarHBondContact OD1-CB 3.44Å; D53-A55 PolarHBondContact OD1-N 3.31Å
56F97.7Very high95.9Very high5 Ų572 Ų722%0.02235%0.354CS..SBendtrans-147.971.7174.5-163.6-109.1000109.6D53 E54 S62 W80 K188 A191 K192 Y197D53-F56 CarbonylContact O-C 3.56Å; D53-F56 PolarHBondContact O-N 3.22Å; E54-F56 VanDerWaalsContact C-N 3.34Å; F56-S62 WeakPolarHBondContact CZ-O 3.36Å; F56-W80 HydrophobicContact CE1-CH2 4.27Å; F56-K188 HydrophobicContact CD1-CG 4.41Å; F56-K188 HydrophobicContact CE1-CG 4.07Å; F56-A191 HydrophobicContact CZ-CB 4.1Å; F56-K192 HydrophobicContact CB-CB 4.12Å; F56-K192 HydrophobicContact CB-CD 3.62Å; F56-K192 HydrophobicContact CB-CG 3.74Å; F56-K192 HydrophobicContact CD1-CB 4.02Å; F56-K192 HydrophobicContact CD2-CB 3.76Å; F56-K192 HydrophobicContact CD2-CG 3.97Å; F56-K192 HydrophobicContact CE1-CB 4.34Å; F56-K192 HydrophobicContact CE2-CB 4.12Å; F56-K192 HydrophobicContact CG-CB 3.7Å; F56-K192 HydrophobicContact CG-CD 4.17Å; F56-K192 HydrophobicContact CG-CG 3.86Å; F56-K192 HydrophobicContact CZ-CB 4.38Å; F56-Y197 HydrophobicContact CE1-CE2 4.22Å; F56-Y197 HydrophobicContact CZ-CD2 4.32Å; F56-Y197 HydrophobicContact CZ-CE2 4.41Å
57P97.4Very high95.5Very high51 Ų5168.2 Ų68.233%0.33134%0.336SS..  trans-66.9154.1-168.628.8-36.5000111.6D53 T59 S62D53-P57 WeakPolarHBondContact O-CA 3.4Å; P57-T59 HydrophobicContact CB-CG2 4.12Å; P57-T59 HydrophobicContact CG-CG2 4.49Å; P57-T59 PolarHBondContact O-N 3.5Å; P57-S62 WeakPolarHBondContact O-CB 3.41Å; P57-S62 PolarHBondContact O-OG 3.32Å
58A97.6Very high95.3Very high28 Ų2862 Ų6223%0.23131%0.314CS..SBendtrans-74.859.3177.600000112.1W80 R162A58-W80 HydrophobicContact CB-CB 3.77Å; A58-W80 HydrophobicContact CB-CD2 3.74Å; A58-W80 HydrophobicContact CB-CE3 4.05Å; A58-W80 HydrophobicContact CB-CG 3.63Å; A58-W80 VanDerWaalsContact O-CD1 3.3Å; A58-R162 HydrophobicContact CB-CB 4.4Å
59T95.7Very high95.1Very high54 Ų5452.9 Ų52.933%0.33128%0.276SS..SBendtrans-130.8177.9-175.167.40000111.2P57 E61 S62P57-T59 HydrophobicContact CB-CG2 4.12Å; P57-T59 HydrophobicContact CG-CG2 4.49Å; P57-T59 PolarHBondContact O-N 3.5Å; T59-E61 VanDerWaalsContact C-N 3.29Å; T59-E61 WeakPolarHBondContact CB-OE2 3.45Å; T59-E61 PolarHBondContact O-N 3.14Å; T59-E61 PolarHBondContact OG1-OE2 3.45Å; T59-S62 PolarHBondContact O-N 3.44Å
60V95.1Very high94.7Very high35 Ų3555.1 Ų55.121%0.21228%0.281CS..Hα-helixtrans-71.1-27.4-176.9176.90000111.8S62 L63 G64 V75V60-S62 PolarHBondContact O-N 2.67Å; V60-L63 WeakPolarHBondContact O-CA 3.46Å; V60-L63 WeakPolarHBondContact O-CB 3.44Å; V60-L63 PolarHBondContact O-N 3.17Å; V60-G64 PolarHBondContact O-N 3.22Å; V60-V75 HydrophobicContact CG1-CB 4.49Å; V60-V75 HydrophobicContact CG1-CG2 3.9Å; V60-V75 HydrophobicContact CG2-CG2 4.47Å
61E93.6Very high94.3Very high105 Ų10561.8 Ų61.849%0.49131%0.307SS..Hα-helixtrans-59.3-35.4176.2-63.982.1173.600111.9T59 L63 H70T59-E61 VanDerWaalsContact C-N 3.29Å; T59-E61 WeakPolarHBondContact CB-OE2 3.45Å; T59-E61 PolarHBondContact O-N 3.14Å; T59-E61 PolarHBondContact OG1-OE2 3.45Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-H70 IonicContact OE1-CE1 2.8Å; E61-H70 PolarHBondContact OE1-CE1 2.87Å; E61-H70 IonicContact OE1-NE2 2.74Å; E61-H70 PolarHBondContact OE1-NE2 3.39Å; E61-H70 IonicContact OE2-CE1 3.88Å; E61-H70 IonicContact OE2-NE2 3.81Å
62S96.4Very high94Very high4 Ų462.4 Ų62.43%0.02831%0.312CS..Hα-helixtrans-75.3-21.8175.2-62.20000112.9F56 P57 T59 V60 S196 Y197F56-S62 WeakPolarHBondContact CZ-O 3.36Å; P57-S62 WeakPolarHBondContact O-CB 3.41Å; P57-S62 PolarHBondContact O-OG 3.32Å; T59-S62 PolarHBondContact O-N 3.44Å; V60-S62 PolarHBondContact O-N 2.67Å; S62-S196 CarbonylContact O-C 3.58Å; S62-S196 VanDerWaalsContact O-CA 3.26Å; S62-S196 WeakPolarHBondContact O-CA 3.34Å; S62-S196 WeakPolarHBondContact O-CB 3.27Å; S62-Y197 PolarHBondContact O-N 2.93Å
63L96Very high93.6Very high2 Ų262.9 Ų62.91%0.0132%0.318CS..Hα-helixtrans-76.6-44.4172.4-60.3175.6000110.9V60 E61 L68 V75 I78 W80 P164 F172 Y197 E198V60-L63 WeakPolarHBondContact O-CA 3.46Å; V60-L63 WeakPolarHBondContact O-CB 3.44Å; V60-L63 PolarHBondContact O-N 3.17Å; E61-L63 VanDerWaalsContact C-N 3.33Å; L63-L68 HydrophobicContact CB-CB 4.23Å; L63-V75 HydrophobicContact CB-CG1 4.47Å; L63-V75 HydrophobicContact CD1-CB 4Å; L63-V75 HydrophobicContact CD1-CG1 3.84Å; L63-I78 HydrophobicContact CD1-CB 4.34Å; L63-I78 HydrophobicContact CD1-CD1 4.1Å; L63-I78 HydrophobicContact CD1-CG2 4.03Å; L63-W80 HydrophobicContact CD2-CH2 4.36Å; L63-W80 HydrophobicContact CD2-CZ2 3.65Å; L63-W80 HydrophobicContact CG-CZ2 3.98Å; L63-P164 HydrophobicContact CD2-CB 3.95Å; L63-P164 HydrophobicContact CD2-CG 3.63Å; L63-F172 HydrophobicContact CD2-CE2 3.93Å; L63-F172 HydrophobicContact CD2-CZ 4.24Å; L63-Y197 HydrophobicContact CD2-CD2 4.3Å; L63-E198 WeakPolarHBondContact O-CB 3.32Å; L63-E198 PolarHBondContact O-N 3.02Å
64G93.4Very high93.1Very high4 Ų469.4 Ų69.44%0.04135%0.346CS..  trans168-165.5179.500000115.6V60 L68 E198V60-G64 PolarHBondContact O-N 3.22Å; G64-L68 PolarHBondContact N-O 3.3Å; G64-E198 WeakPolarHBondContact CA-OE2 3.31Å
65F89.5Confident92.9Very high91 Ų9161.1 Ų61.140%0.39931%0.308SS..SBendtrans-134.4-16-169.152.4-93.9000113.9E198 R429 K430F65-E198 HydrophobicContact CE1-CB 4.3Å; F65-E198 HydrophobicContact CE1-CG 4.27Å; F65-E198 HydrophobicContact CZ-CG 4.37Å; F65-E198 PolarHBondContact N-OE2 3.05Å; F65-R429 HydrophobicContact CZ-CB 4.35Å; F65-K430 HydrophobicContact CD1-CB 3.96Å; F65-K430 HydrophobicContact CD2-CB 4.39Å; F65-K430 HydrophobicContact CE1-CB 4.24Å; F65-K430 HydrophobicContact CG-CB 4.05Å
66K89.3Confident92.5Very high158 Ų15866 Ų6669%0.68732%0.321SS*.SBendtrans-132.2-79.1-179.2-178.3-175.8179.9-177.40111.8L68 E198K66-L68 VanDerWaalsContact C-N 3.34Å; K66-E198 WeakPolarHBondContact CB-OE1 3.4Å; K66-E198 PolarHBondContact N-OE2 3.04Å
67E89.4Confident92.2Very high71 Ų7170.9 Ų70.933%0.33235%0.348SS..SBendtrans-74.2-26.6178.4-69.1-172.2-151.200112.9S72 K74 E198 K201E67-S72 WeakPolarHBondContact O-CB 3.09Å; E67-S72 PolarHBondContact O-OG 2.85Å; E67-K74 IonicContact OE2-NZ 3.05Å; E67-E198 WeakPolarHBondContact CB-OE1 3.38Å; E67-E198 PolarHBondContact N-OE1 3.25Å; E67-E198 PolarHBondContact N-OE2 2.92Å; E67-K201 IonicContact OE1-NZ 3.23Å; E67-K201 PolarHBondContact OE1-NZ 3.38Å; E67-K201 IonicContact OE2-NZ 2.89Å; E67-K201 PolarHBondContact OE2-NZ 2.96Å
68L91.9Very high92.1Very high19 Ų1969.7 Ų69.710%0.09934%0.338CS..SBendtrans-115.619.5173.6-58.6178.3000111.9L63 G64 K66 K74 V75 L107 F172 E198L63-L68 HydrophobicContact CB-CB 4.23Å; G64-L68 PolarHBondContact N-O 3.3Å; K66-L68 VanDerWaalsContact C-N 3.34Å; L68-K74 HydrophobicContact CD2-CB 4.28Å; L68-K74 HydrophobicContact CD2-CD 4.4Å; L68-V75 HydrophobicContact CB-CG1 4.04Å; L68-V75 HydrophobicContact CD2-CG1 4.04Å; L68-V75 WeakPolarHBondContact O-CG1 3.22Å; L68-L107 HydrophobicContact CD1-CD1 4.08Å; L68-F172 HydrophobicContact CD1-CE1 4.24Å; L68-F172 HydrophobicContact CD1-CZ 4.04Å; L68-E198 HydrophobicContact CB-CB 4.23Å; L68-E198 HydrophobicContact CD1-CB 4.2Å; L68-E198 HydrophobicContact CG-CB 4.47Å; L68-E198 PolarHBondContact N-OE2 3.45Å
69G91.3Very high92.1Very high3 Ų372.1 Ų72.13%0.03135%0.35CS..SBendtrans-86.3176.2174.900000113.7K71 S72 V75G69-K71 PolarHBondContact O-N 3.1Å; G69-S72 VanDerWaalsContact O-CB 3.27Å; G69-S72 WeakPolarHBondContact O-CB 3.37Å; G69-S72 PolarHBondContact O-N 2.9Å; G69-V75 WeakPolarHBondContact O-CG2 3.03Å
70H90.9Very high92.2Very high117 Ų11771.3 Ų71.354%0.54234%0.341SS..THydrogen-bonded Turntrans-53.1-28.2-175.2-63.2-87.9000116E61 S72E61-H70 IonicContact OE1-CE1 2.8Å; E61-H70 PolarHBondContact OE1-CE1 2.87Å; E61-H70 IonicContact OE1-NE2 2.74Å; E61-H70 PolarHBondContact OE1-NE2 3.39Å; E61-H70 IonicContact OE2-CE1 3.88Å; E61-H70 IonicContact OE2-NE2 3.81Å; H70-S72 VanDerWaalsContact C-N 3.32Å
71K89.5Confident92.3Very high210 Ų21071.8 Ų71.891%0.91334%0.34SS*.THydrogen-bonded Turntrans-84-8.9-179.1-63.9-178.3-179.3176.70112.9G69G69-K71 PolarHBondContact O-N 3.1Å
72S91.5Very high92.6Very high19 Ų1967.6 Ų67.613%0.13332%0.32CS..  trans-81.7135-176.1-175.10000112E67 G69 H70 K74 V75E67-S72 WeakPolarHBondContact O-CB 3.09Å; E67-S72 PolarHBondContact O-OG 2.85Å; G69-S72 VanDerWaalsContact O-CB 3.27Å; G69-S72 WeakPolarHBondContact O-CB 3.37Å; G69-S72 PolarHBondContact O-N 2.9Å; H70-S72 VanDerWaalsContact C-N 3.32Å; S72-K74 PolarHBondContact O-N 2.7Å; S72-K74 WeakPolarHBondContact OG-CB 3.45Å; S72-K74 PolarHBondContact OG-N 3.15Å; S72-V75 WeakPolarHBondContact O-CG2 3.06Å
73N89.7Confident92.7Very high119 Ų11967.4 Ų67.464%0.63632%0.318SS*.G310 helixtrans-69.2-18.8170.8-69.7-38.1000112.5V75 K76N73-V75 PolarHBondContact O-N 3.38Å; N73-K76 VanDerWaalsContact OD1-CE 3.23Å; N73-K76 WeakPolarHBondContact OD1-CE 3.26Å; N73-K76 PolarHBondContact OD1-NZ 2.82Å
74K87.6Confident92.7Very high138 Ų13872 Ų7260%0.634%0.339SS*.G310 helixtrans-65-27-179-63.2-175.8177.4-177.60112.8E67 L68 S72E67-K74 IonicContact OE2-NZ 3.05Å; L68-K74 HydrophobicContact CD2-CB 4.28Å; L68-K74 HydrophobicContact CD2-CD 4.4Å; S72-K74 PolarHBondContact O-N 2.7Å; S72-K74 WeakPolarHBondContact OG-CB 3.45Å; S72-K74 PolarHBondContact OG-N 3.15Å
75V91.4Very high92.9Very high8 Ų877.2 Ų77.25%0.04836%0.362CS..G310 helixtrans-100.4-9.5-174.4-58.60000114.5V60 L63 L68 G69 S72 N73 N77 I78V60-V75 HydrophobicContact CG1-CB 4.49Å; V60-V75 HydrophobicContact CG1-CG2 3.9Å; V60-V75 HydrophobicContact CG2-CG2 4.47Å; L63-V75 HydrophobicContact CB-CG1 4.47Å; L63-V75 HydrophobicContact CD1-CB 4Å; L63-V75 HydrophobicContact CD1-CG1 3.84Å; L68-V75 HydrophobicContact CB-CG1 4.04Å; L68-V75 HydrophobicContact CD2-CG1 4.04Å; L68-V75 WeakPolarHBondContact O-CG1 3.22Å; G69-V75 WeakPolarHBondContact O-CG2 3.03Å; S72-V75 WeakPolarHBondContact O-CG2 3.06Å; N73-V75 PolarHBondContact O-N 3.38Å; V75-N77 PolarHBondContact O-N 3.39Å; V75-N77 VanDerWaalsContact O-N 3.14Å; V75-I78 HydrophobicContact CB-CD1 4.32Å; V75-I78 HydrophobicContact CG1-CD1 4.18Å; V75-I78 PolarHBondContact O-N 3.47Å; V75-I78 VanDerWaalsContact O-N 3.1Å
76K87.1Confident93.2Very high145 Ų14574.9 Ų74.963%0.6335%0.353SS*.THydrogen-bonded Turntrans-58.8-31.7-172.1-78.3-177.4173172.70114.6N73N73-K76 VanDerWaalsContact OD1-CE 3.23Å; N73-K76 WeakPolarHBondContact OD1-CE 3.26Å; N73-K76 PolarHBondContact OD1-NZ 2.82Å
77N91.6Very high93.5Very high108 Ų10868.5 Ų68.558%0.57833%0.329SS*.THydrogen-bonded Turntrans-107.58.5-177-60-32.3000112.6V75 F166V75-N77 PolarHBondContact O-N 3.39Å; V75-N77 VanDerWaalsContact O-N 3.14Å; N77-F166 HydrophobicContact CB-CD2 3.64Å; N77-F166 HydrophobicContact CB-CE2 3.46Å; N77-F166 VanDerWaalsContact CB-CE2 3.46Å
78I95.5Very high93.7Very high26 Ų2674.8 Ų74.813%0.13336%0.358CS..  trans-78.1128.4177.3-65.4-176.9000108.4L63 V75 P164 T165 V171L63-I78 HydrophobicContact CD1-CB 4.34Å; L63-I78 HydrophobicContact CD1-CD1 4.1Å; L63-I78 HydrophobicContact CD1-CG2 4.03Å; V75-I78 HydrophobicContact CB-CD1 4.32Å; V75-I78 HydrophobicContact CG1-CD1 4.18Å; V75-I78 PolarHBondContact O-N 3.47Å; V75-I78 VanDerWaalsContact O-N 3.1Å; I78-P164 HydrophobicContact CG2-CB 3.78Å; I78-T165 WeakPolarHBondContact CA-O 3.5Å; I78-V171 HydrophobicContact CD1-CG1 4.34Å; I78-V171 HydrophobicContact CD1-CG2 4.47Å; I78-V171 HydrophobicContact CG1-CG2 4.38Å
79V97.1Very high93.8Very high79 Ų7978.1 Ų78.148%0.47938%0.376SS..EExtended strand (participates in β ladder)trans-121.7130.7175.6-176.90000108.3K81 T165V79-K81 HydrophobicContact CG1-CG 4.16Å; V79-T165 PolarHBondContact N-O 3.29Å; V79-T165 WeakPolarHBondContact O-CA 3.26Å; V79-T165 WeakPolarHBondContact O-CB 3.25Å; V79-T165 PolarHBondContact O-N 2.62Å; V79-T165 PolarHBondContact O-OG1 2.98Å
80W98.3Very high94.1Very high37 Ų3778.4 Ų78.414%0.1438%0.377CS..EExtended strand (participates in β ladder)trans-79124.6174.7-68.382.9000109.7F56 A58 L63 R162 V163 P164 K188 Y197F56-W80 HydrophobicContact CE1-CH2 4.27Å; A58-W80 HydrophobicContact CB-CB 3.77Å; A58-W80 HydrophobicContact CB-CD2 3.74Å; A58-W80 HydrophobicContact CB-CE3 4.05Å; A58-W80 HydrophobicContact CB-CG 3.63Å; A58-W80 VanDerWaalsContact O-CD1 3.3Å; L63-W80 HydrophobicContact CD2-CH2 4.36Å; L63-W80 HydrophobicContact CD2-CZ2 3.65Å; L63-W80 HydrophobicContact CG-CZ2 3.98Å; W80-R162 HydrophobicContact CB-CB 4.38Å; W80-R162 HydrophobicContact CE3-CB 4.2Å; W80-R162 VanDerWaalsContact CE3-O 3.23Å; W80-R162 WeakPolarHBondContact CZ3-O 3.37Å; W80-V163 WeakPolarHBondContact CA-O 3.45Å; W80-P164 HydrophobicContact CD2-CG 4.21Å; W80-P164 HydrophobicContact CE3-CG 4.01Å; W80-P164 HydrophobicContact CH2-CG 3.78Å; W80-P164 HydrophobicContact CZ2-CG 3.97Å; W80-P164 HydrophobicContact CZ3-CG 3.79Å; W80-K188 HydrophobicContact CZ3-CD 4.46Å; W80-Y197 HydrophobicContact CH2-CD2 4.48Å; W80-Y197 AromaticContact CH2-CE2 3.9Å; W80-Y197 HydrophobicContact CH2-CE2 3.9Å; W80-Y197 HydrophobicContact CZ3-CE2 4.43Å
81K98.3Very high94.3Very high44 Ų4475.2 Ų75.219%0.19136%0.362CS..EExtended strand (participates in β ladder)trans-135.8149.1-179.9-67.9-166.6170.4-162.50110.8V79 E85 I86 V163 T165 N168V79-K81 HydrophobicContact CG1-CG 4.16Å; K81-E85 HydrophobicContact CB-CB 4.36Å; K81-I86 HydrophobicContact CB-CG2 3.98Å; K81-I86 HydrophobicContact CD-CG2 3.58Å; K81-I86 HydrophobicContact CG-CG2 4.43Å; K81-V163 PolarHBondContact N-O 3.44Å; K81-V163 VanDerWaalsContact O-CG2 3.23Å; K81-V163 WeakPolarHBondContact O-CG2 3.46Å; K81-V163 PolarHBondContact O-N 3.05Å; K81-T165 HydrophobicContact CB-CG2 4.04Å; K81-N168 PolarHBondContact NZ-OD1 3.5Å
82R98.5Very high94.6Very high17 Ų1765.6 Ų65.66%0.06432%0.32CS..  trans-81153.6171.4-57.1-174.5-177-983.5110.2F51 K84 E85 G142 D161 R162F51-R82 PolarHBondContact O-NH1 3.46Å; F51-R82 PolarHBondContact O-NH2 3.07Å; R82-K84 PolarHBondContact O-N 2.74Å; R82-K84 VanDerWaalsContact O-N 3.15Å; R82-E85 HydrophobicContact CB-CG 4.38Å; R82-E85 WeakPolarHBondContact CB-OE2 3.43Å; R82-E85 PolarHBondContact N-OE2 2.94Å; R82-E85 WeakPolarHBondContact O-CB 3.39Å; R82-E85 PolarHBondContact O-N 3.32Å; R82-G142 PolarHBondContact NH1-O 3.3Å; R82-D161 WeakPolarHBondContact CD-OD1 3.37Å; R82-D161 WeakPolarHBondContact CG-OD1 3.45Å; R82-D161 IonicContact CZ-OD1 3.82Å; R82-D161 IonicContact NE-OD1 3.64Å; R82-D161 IonicContact NH1-OD1 3.98Å; R82-D161 PolarHBondContact NH1-OD1 3.07Å; R82-R162 HydrophobicContact CG-CG 3.8Å
83P97.9Very high94.7Very high0 Ų066.7 Ų66.70%032%0.324CS..Hα-helixtrans-50-38.2174.2-35.139.6000114.4E85 I86 S87 P90 F136 D161 F181P83-E85 PolarHBondContact O-N 2.78Å; P83-I86 PolarHBondContact O-N 3.12Å; P83-S87 PolarHBondContact O-N 3.22Å; P83-P90 HydrophobicContact CB-CB 3.69Å; P83-P90 HydrophobicContact CB-CG 4.36Å; P83-F136 HydrophobicContact CB-CD1 4.37Å; P83-F136 HydrophobicContact CB-CE1 3.72Å; P83-F136 HydrophobicContact CB-CZ 3.87Å; P83-F136 HydrophobicContact CG-CE1 3.61Å; P83-F136 HydrophobicContact CG-CZ 3.63Å; P83-D161 WeakPolarHBondContact CD-O 3.49Å; P83-F181 HydrophobicContact CB-CD1 3.97Å; P83-F181 HydrophobicContact CB-CD2 3.83Å; P83-F181 HydrophobicContact CB-CE1 3.98Å; P83-F181 HydrophobicContact CB-CE2 3.84Å; P83-F181 HydrophobicContact CB-CG 3.9Å; P83-F181 HydrophobicContact CB-CZ 3.92Å; P83-F181 HydrophobicContact CG-CB 4.27Å; P83-F181 HydrophobicContact CG-CD1 3.75Å; P83-F181 HydrophobicContact CG-CD2 4.28Å; P83-F181 HydrophobicContact CG-CE1 4.14Å; P83-F181 HydrophobicContact CG-CG 3.83Å
84K97.3Very high94.6Very high100 Ų10063.4 Ų63.444%0.43531%0.309SS..Hα-helixtrans-65.8-14.5176.1-72.4-172.9176.2-179.90114.8R82 P90 F136 Y140R82-K84 PolarHBondContact O-N 2.74Å; R82-K84 VanDerWaalsContact O-N 3.15Å; K84-P90 HydrophobicContact CB-CG 4.5Å; K84-P90 HydrophobicContact CG-CG 3.63Å; K84-F136 WeakPolarHBondContact CE-O 3.37Å; K84-F136 PolarHBondContact NZ-O 3.09Å; K84-Y140 HydrophobicContact CD-CD1 4.3Å; K84-Y140 HydrophobicContact CD-CE1 3.76Å
85E97.4Very high94.4Very high112 Ų11261.2 Ų61.252%0.52333%0.325SS..Hα-helixtrans-93-13.6177-61175.575.400113K81 R82 P83K81-E85 HydrophobicContact CB-CB 4.36Å; R82-E85 HydrophobicContact CB-CG 4.38Å; R82-E85 WeakPolarHBondContact CB-OE2 3.43Å; R82-E85 PolarHBondContact N-OE2 2.94Å; R82-E85 WeakPolarHBondContact O-CB 3.39Å; R82-E85 PolarHBondContact O-N 3.32Å; P83-E85 PolarHBondContact O-N 2.78Å
86I96.5Very high94.1Very high42 Ų4262.5 Ų62.522%0.21534%0.34CS..Hα-helixtrans-124.9-11.4-174.361.4176.7000113.6K81 P83 T165 N168 L170 F181K81-I86 HydrophobicContact CB-CG2 3.98Å; K81-I86 HydrophobicContact CD-CG2 3.58Å; K81-I86 HydrophobicContact CG-CG2 4.43Å; P83-I86 PolarHBondContact O-N 3.12Å; I86-T165 HydrophobicContact CD1-CG2 4.08Å; I86-N168 HydrophobicContact CG2-CB 4.1Å; I86-L170 HydrophobicContact CD1-CD2 4.05Å; I86-F181 HydrophobicContact CD1-CE1 4.03Å; I86-F181 HydrophobicContact CD1-CZ 4.49Å; I86-F181 HydrophobicContact CG1-CE1 4.43Å; I86-F181 HydrophobicContact CG1-CZ 4.43Å
87S95Very high94.1Very high25 Ų2556.2 Ų56.218%0.17532%0.315CS..  trans-138.1138.3176.2-177.90000110.5P83P83-S87 PolarHBondContact O-N 3.22Å
88E92.6Very high94Very high203 Ų20352.7 Ų52.795%0.94930%0.299SS*.SBendtrans-71.1-33.3-178.7-66.2-176.2170.800112.8
89N94.9Very high93.4Very high89 Ų8953.6 Ų53.648%0.47630%0.3SS..SBendtrans-133.668.4-178.6-178.230.8000110.7Q91 N179N89-Q91 PolarHBondContact O-N 3.06Å; N89-Q91 PolarHBondContact OD1-NE2 3.32Å; N89-N179 WeakPolarHBondContact O-CB 3.21Å; N89-N179 PolarHBondContact O-ND2 3.01Å; N89-N179 VanDerWaalsContact O-ND2 3.15Å
90P96.6Very high92.7Very high8 Ų851.9 Ų51.95%0.05229%0.29CS..  trans-66.8135.4-179.729.3-33.2000110.2P83 K84 F136 F181P83-P90 HydrophobicContact CB-CB 3.69Å; P83-P90 HydrophobicContact CB-CG 4.36Å; K84-P90 HydrophobicContact CB-CG 4.5Å; K84-P90 HydrophobicContact CG-CG 3.63Å; P90-F136 HydrophobicContact CB-CB 4.47Å; P90-F136 HydrophobicContact CB-CD1 4.39Å; P90-F136 HydrophobicContact CB-CD2 4.11Å; P90-F136 HydrophobicContact CB-CE2 4.46Å; P90-F136 HydrophobicContact CB-CG 4.07Å; P90-F136 HydrophobicContact CG-CB 4.16Å; P90-F136 HydrophobicContact CG-CD1 4.4Å; P90-F136 HydrophobicContact CG-CG 4.17Å; P90-F136 WeakPolarHBondContact O-CB 3.24Å; P90-F181 HydrophobicContact CB-CD2 3.94Å; P90-F181 HydrophobicContact CB-CE2 3.67Å
91Q96.1Very high92.2Very high51 Ų5150.4 Ų50.424%0.23829%0.285CS..BIsolated β-bridgetrans-121.8144.9178.6-64.7-61.6-40.200108.4N89 V94 F136 N179 E180 F181N89-Q91 PolarHBondContact O-N 3.06Å; N89-Q91 PolarHBondContact OD1-NE2 3.32Å; Q91-V94 HydrophobicContact CB-CG2 3.41Å; Q91-V94 VanDerWaalsContact CB-CG2 3.41Å; Q91-V94 HydrophobicContact CG-CG2 3.9Å; Q91-F136 VanDerWaalsContact C-CD2 3.43Å; Q91-F136 WeakPolarHBondContact O-CE2 3.4Å; Q91-N179 PolarHBondContact N-O 2.91Å; Q91-E180 WeakPolarHBondContact O-CA 3.49Å; Q91-F181 PolarHBondContact O-N 3.37Å
92F96.2Very high91.8Very high7 Ų748.3 Ų48.33%0.03128%0.276CS..SBendtrans-71.4-56.9176-173.1-115.9000108.8V130 Q134 F136 F144 F146 E180 F181 W182 L185F92-V130 HydrophobicContact CE1-CG1 3.67Å; F92-V130 HydrophobicContact CZ-CG1 3.77Å; F92-Q134 HydrophobicContact CD1-CB 3.88Å; F92-Q134 HydrophobicContact CD2-CB 4.46Å; F92-Q134 HydrophobicContact CE1-CB 3.78Å; F92-Q134 HydrophobicContact CE1-CG 4.48Å; F92-Q134 HydrophobicContact CE2-CB 4.37Å; F92-Q134 HydrophobicContact CG-CB 4.23Å; F92-Q134 HydrophobicContact CZ-CB 4.03Å; F92-F136 HydrophobicContact CB-CD2 4.28Å; F92-F136 HydrophobicContact CB-CE2 4.21Å; F92-F136 HydrophobicContact CD2-CE2 4.4Å; F92-F144 AromaticContact CD2-CD1 3.74Å; F92-F144 HydrophobicContact CD2-CD1 3.74Å; F92-F144 AromaticContact CD2-CE1 3.5Å; F92-F144 HydrophobicContact CD2-CE1 3.5Å; F92-F144 HydrophobicContact CD2-CZ 4.5Å; F92-F144 AromaticContact CE2-CD1 3.56Å; F92-F144 HydrophobicContact CE2-CD1 3.56Å; F92-F144 AromaticContact CE2-CE1 3.86Å; F92-F144 HydrophobicContact CE2-CE1 3.86Å; F92-F144 HydrophobicContact CG-CE1 4.23Å; F92-F144 HydrophobicContact CZ-CD1 4.35Å; F92-F146 HydrophobicContact CE2-CZ 4.1Å; F92-F146 HydrophobicContact CZ-CE1 4.08Å; F92-F146 HydrophobicContact CZ-CZ 4.02Å; F92-E180 WeakPolarHBondContact O-CG 3.1Å; F92-F181 PolarHBondContact O-N 3.32Å; F92-W182 HydrophobicContact CD1-CB 4.3Å; F92-W182 HydrophobicContact CD2-CB 4.05Å; F92-W182 HydrophobicContact CE1-CB 4.08Å; F92-W182 HydrophobicContact CE2-CB 3.83Å; F92-W182 HydrophobicContact CG-CB 4.28Å; F92-W182 HydrophobicContact CZ-CB 3.84Å; F92-W182 VanDerWaalsContact O-CB 3.25Å; F92-W182 WeakPolarHBondContact O-CB 3.37Å; F92-W182 PolarHBondContact O-N 3.28Å; F92-L185 HydrophobicContact CD2-CD1 4.18Å; F92-L185 HydrophobicContact CE2-CD1 4.01Å
93I93.9Very high91.3Very high42 Ų4248.3 Ų48.322%0.21528%0.279CS..SBendtrans-129.8138.6175.4-65.1168.1000108.7G96 A97 V130 E180 W182I93-G96 VanDerWaalsContact CG2-C 3.49Å; I93-A97 HydrophobicContact CD1-CB 4.27Å; I93-A97 HydrophobicContact CG1-CB 4.48Å; I93-A97 HydrophobicContact CG2-CB 4.12Å; I93-V130 HydrophobicContact CD1-CG1 4.4Å; I93-E180 WeakPolarHBondContact CA-OE1 2.95Å; I93-W182 HydrophobicContact CD1-CG 4.5Å; I93-W182 HydrophobicContact CG1-CB 3.85Å; I93-W182 HydrophobicContact CG1-CG 3.73Å
94V87.6Confident90.8Very high51 Ų5149.3 Ų49.331%0.30928%0.283SS..SBendtrans-120117.7179.2-179.20000109.9Q91 G96 E180Q91-V94 HydrophobicContact CB-CG2 3.41Å; Q91-V94 VanDerWaalsContact CB-CG2 3.41Å; Q91-V94 HydrophobicContact CG-CG2 3.9Å; V94-G96 PolarHBondContact O-N 3.3Å; V94-E180 HydrophobicContact CB-CB 4.48Å; V94-E180 HydrophobicContact CG2-CB 3.95Å; V94-E180 HydrophobicContact CG2-CG 4.29Å; V94-E180 PolarHBondContact N-OE1 2.96Å
95G81.9Confident90.4Very high92 Ų9245.3 Ų45.395%0.94827%0.271SS*.SBendtrans70.912.1175.500000115.1
96G86.8Confident89.8Confident34 Ų3447.1 Ų47.135%0.35128%0.284SS..SBendtrans94145.5-172.900000111I93 V94 S98I93-G96 VanDerWaalsContact CG2-C 3.49Å; V94-G96 PolarHBondContact O-N 3.3Å; G96-S98 PolarHBondContact O-N 2.95Å
97A86.4Confident89.4Confident13 Ų1345.5 Ų45.511%0.10728%0.275CS..  trans-74.5119.2-176.600000110.7I93 D101 L126 W182I93-A97 HydrophobicContact CD1-CB 4.27Å; I93-A97 HydrophobicContact CG1-CB 4.48Å; I93-A97 HydrophobicContact CG2-CB 4.12Å; A97-D101 WeakPolarHBondContact CA-OD2 3.26Å; A97-L126 HydrophobicContact CB-CD2 3.3Å; A97-W182 HydrophobicContact CB-CH2 4.45Å; A97-W182 HydrophobicContact CB-CZ2 3.81Å
98S88.3Confident88.9Confident34 Ų3445.5 Ų45.524%0.23828%0.279CS..  trans-120.9156.2-174172.80000110.9G96 T100 D101G96-S98 PolarHBondContact O-N 2.95Å; S98-T100 WeakPolarHBondContact CB-OG1 3.33Å; S98-T100 PolarHBondContact O-N 3.19Å; S98-T100 PolarHBondContact OG-N 2.98Å; S98-T100 PolarHBondContact OG-OG1 2.65Å; S98-D101 PolarHBondContact N-OD2 2.86Å; S98-D101 VanDerWaalsContact O-CB 3.25Å; S98-D101 WeakPolarHBondContact O-CB 3.37Å; S98-D101 PolarHBondContact O-N 3.04Å
99R82.9Confident88.7Confident45 Ų4535.8 Ų35.817%0.1723%0.234CC..G310 helixtrans-56.5-30.217361-162.4179.6-71.3-3.3112.3D101 I102 A117 T120 R293 E332R99-D101 PolarHBondContact O-N 3.38Å; R99-I102 WeakPolarHBondContact O-CB 3.47Å; R99-I102 PolarHBondContact O-N 2.81Å; R99-I102 VanDerWaalsContact O-N 3.15Å; R99-A117 HydrophobicContact CB-CB 4.05Å; R99-T120 WeakPolarHBondContact CA-OG1 3.47Å; R99-T120 WeakPolarHBondContact CB-OG1 3.28Å; R99-T120 PolarHBondContact N-OG1 2.92Å; R99-T120 VanDerWaalsContact N-OG1 3.11Å; R99-R293 PolarHBondContact O-NE 3.13Å; R99-R293 PolarHBondContact O-NH1 3.08Å; R99-R293 PolarHBondContact O-NH2 3.08Å; R99-E332 IonicContact CZ-OE1 3.29Å; R99-E332 IonicContact CZ-OE2 2.7Å; R99-E332 VanDerWaalsContact NE-CD 3.35Å; R99-E332 IonicContact NE-OE1 3.59Å; R99-E332 PolarHBondContact NE-OE1 3.37Å; R99-E332 IonicContact NE-OE2 3.83Å; R99-E332 PolarHBondContact NE-OE2 3.05Å; R99-E332 IonicContact NH2-OE1 3.96Å; R99-E332 IonicContact NH2-OE2 2.78Å; R99-E332 PolarHBondContact NH2-OE2 3.42Å
100T84.1Confident88.5Confident44 Ų4432.2 Ų32.227%0.2722%0.216SC..G310 helixtrans-61.1-1917647.20000113.7S98 I102 A176S98-T100 WeakPolarHBondContact CB-OG1 3.33Å; S98-T100 PolarHBondContact O-N 3.19Å; S98-T100 PolarHBondContact OG-N 2.98Å; S98-T100 PolarHBondContact OG-OG1 2.65Å; T100-I102 PolarHBondContact O-N 3.43Å; T100-A176 PolarHBondContact O-N 2.98Å
101D86.2Confident88.3Confident6 Ų632 Ų323%0.03221%0.214CC..G310 helixtrans-78.9-1.8-179.6-42.9-7000111.7A97 S98 R99 K174 S175 E180 W182 S183A97-D101 WeakPolarHBondContact CA-OD2 3.26Å; S98-D101 PolarHBondContact N-OD2 2.86Å; S98-D101 VanDerWaalsContact O-CB 3.25Å; S98-D101 WeakPolarHBondContact O-CB 3.37Å; S98-D101 PolarHBondContact O-N 3.04Å; R99-D101 PolarHBondContact O-N 3.38Å; D101-K174 CarbonylContact O-C 3.47Å; D101-S175 WeakPolarHBondContact CA-OG 3.22Å; D101-S175 VanDerWaalsContact O-CA 3.24Å; D101-S175 WeakPolarHBondContact O-CA 3.33Å; D101-E180 VanDerWaalsContact CB-OE2 3.26Å; D101-E180 WeakPolarHBondContact CB-OE2 3.41Å; D101-W182 HydrophobicContact CB-CZ2 4.01Å; D101-W182 PolarHBondContact OD2-NE1 3.33Å; D101-S183 WeakPolarHBondContact O-CB 3.06Å; D101-S183 PolarHBondContact O-OG 2.9Å
102I90.3Very high88.2Confident0 Ų029.6 Ų29.60%020%0.203CC..  trans-114.499.4-176.5-43.8-55.9000109.2R99 T100 L113 I116 W182 R293R99-I102 WeakPolarHBondContact O-CB 3.47Å; R99-I102 PolarHBondContact O-N 2.81Å; R99-I102 VanDerWaalsContact O-N 3.15Å; T100-I102 PolarHBondContact O-N 3.43Å; I102-L113 HydrophobicContact CG2-CB 3.71Å; I102-L113 HydrophobicContact CG2-CD1 4.48Å; I102-L113 HydrophobicContact CG2-CD2 4.24Å; I102-L113 HydrophobicContact CG2-CG 4.34Å; I102-I116 HydrophobicContact CD1-CB 4.26Å; I102-I116 HydrophobicContact CD1-CG2 3.38Å; I102-I116 HydrophobicContact CG1-CB 4.43Å; I102-I116 HydrophobicContact CG1-CG2 3.88Å; I102-W182 HydrophobicContact CD1-CH2 3.75Å; I102-W182 HydrophobicContact CD1-CZ2 3.85Å; I102-W182 HydrophobicContact CD1-CZ3 4.48Å; I102-R293 PolarHBondContact O-NH1 3.32Å; I102-R293 VanDerWaalsContact O-NH1 3.09Å; I102-R293 PolarHBondContact O-NH2 3.42Å
103C87.9Confident88Confident17 Ų1729.3 Ų29.312%0.11520%0.201CC..BIsolated β-bridgetrans-123.1120.8169.6-61.30000109.6K174 P295C103-K174 HydrophobicContact CB-CG 4.06Å; C103-K174 WeakPolarHBondContact CB-O 3.39Å; C103-K174 PolarHBondContact N-O 3.45Å; C103-K174 PolarHBondContact O-N 2.7Å; C103-K174 VanDerWaalsContact O-N 3.12Å; C103-P295 WeakPolarHBondContact CA-O 3.19Å
104Q88.7Confident87.9Confident20 Ų2027.3 Ų27.39%0.09319%0.191CC..  trans-59.5137177.8-164.2174.1-22.800112.2L107 L113 E256 H267 P295Q104-L107 PolarHBondContact NE2-O 3.17Å; Q104-L113 HydrophobicContact CB-CD1 3.46Å; Q104-L113 VanDerWaalsContact CB-CD1 3.46Å; Q104-L113 HydrophobicContact CG-CD1 3.57Å; Q104-E256 PolarHBondContact NE2-OE1 3.36Å; Q104-H267 PolarHBondContact OE1-CE1 3.36Å; Q104-P295 PolarHBondContact N-O 3.42Å
105G88.3Confident88.2Confident17 Ų1724.9 Ų24.918%0.17518%0.176CC..  trans-94.4-146168.500000112.5L107 V171 F172G105-L107 PolarHBondContact O-N 3.42Å; G105-V171 WeakPolarHBondContact CA-O 3.38Å; G105-F172 WeakPolarHBondContact CA-O 3.19Å
106D85.3Confident88.8Confident149 Ų14920.5 Ų20.580%0.79713%0.131SC*.SBendtrans-83.812.7-173.3-68.1-18.3000114.3V171D106-V171 HydrophobicContact CB-CG1 4.27Å; D106-V171 PolarHBondContact N-O 2.96Å
107L87.3Confident89Confident8 Ų818.9 Ų18.94%0.04212%0.115CC..SBendtrans-102.3139.5178.4-172.559.4000110.9L68 Q104 G105 D109 F172 Y197 L200 K201L68-L107 HydrophobicContact CD1-CD1 4.08Å; Q104-L107 PolarHBondContact NE2-O 3.17Å; G105-L107 PolarHBondContact O-N 3.42Å; L107-D109 HydrophobicContact CD2-CB 4.16Å; L107-D109 WeakPolarHBondContact CD2-OD2 3.2Å; L107-D109 HydrophobicContact CG-CB 4.03Å; L107-D109 PolarHBondContact O-N 3.06Å; L107-F172 HydrophobicContact CB-CD1 3.63Å; L107-F172 HydrophobicContact CB-CE1 3.93Å; L107-F172 HydrophobicContact CD2-CD1 4.33Å; L107-F172 HydrophobicContact CD2-CE1 4.43Å; L107-Y197 HydrophobicContact CD2-CD1 4.1Å; L107-L200 HydrophobicContact CD2-CB 4.28Å; L107-K201 HydrophobicContact CD1-CB 4.38Å
108G85.1Confident89.2Confident25 Ų2518.2 Ų18.226%0.25811%0.109SC..SBendtrans-8454.2178.700000112.9G202G108-G202 PolarHBondContact O-N 2.57Å
109D88.5Confident89.4Confident0 Ų016.6 Ų16.60%010%0.098CC..  trans-118.427.8-176.667.7-23.7000112.8L107 W111 L112 L113 L200L107-D109 HydrophobicContact CD2-CB 4.16Å; L107-D109 WeakPolarHBondContact CD2-OD2 3.2Å; L107-D109 HydrophobicContact CG-CB 4.03Å; L107-D109 PolarHBondContact O-N 3.06Å; D109-W111 PolarHBondContact O-N 2.88Å; D109-L112 HydrophobicContact CB-CB 4.45Å; D109-L112 WeakPolarHBondContact O-CA 3.13Å; D109-L112 VanDerWaalsContact O-CB 3.31Å; D109-L112 WeakPolarHBondContact O-CB 3.12Å; D109-L112 PolarHBondContact O-N 3.36Å; D109-L113 PolarHBondContact O-N 3.4Å; D109-L200 HydrophobicContact CB-CB 4.09Å
110C90.3Very high89.7Confident13 Ų1315.2 Ų15.29%0.0889%0.094CC..Hα-helixtrans-45.6-33.5175.859.60000115L112 L113 A114 H267 P295C110-L112 VanDerWaalsContact C-N 3.33Å; C110-L112 PolarHBondContact O-N 2.98Å; C110-L113 PolarHBondContact O-N 2.94Å; C110-A114 VanDerWaalsContact O-CB 3.31Å; C110-A114 WeakPolarHBondContact O-CB 3.23Å; C110-A114 PolarHBondContact O-N 2.68Å; C110-H267 WeakPolarHBondContact CB-CE1 3.49Å; C110-H267 WeakPolarHBondContact CB-ND1 3.34Å; C110-H267 PolarHBondContact SG-ND1 3.17Å; C110-H267 VanDerWaalsContact SG-ND1 3.39Å; C110-P295 HydrophobicContact CB-CG 4.25Å
111W92.5Very high89.8Confident4 Ų416.3 Ų16.32%0.01510%0.098CC..Hα-helixtrans-59.8-39.4175.268.4-84.4000112.9D109 A115 Y190 L200 G203 T205 E207 A208 A268D109-W111 PolarHBondContact O-N 2.88Å; W111-A115 PolarHBondContact O-N 2.7Å; W111-Y190 AromaticContact CH2-CE1 3.72Å; W111-Y190 HydrophobicContact CH2-CE1 3.72Å; W111-Y190 HydrophobicContact CZ2-CE1 4.37Å; W111-Y190 HydrophobicContact CZ3-CE1 4.42Å; W111-L200 PolarHBondContact NE1-O 3.1Å; W111-G203 VanDerWaalsContact CB-O 3.31Å; W111-G203 WeakPolarHBondContact CB-O 3.25Å; W111-G203 VanDerWaalsContact CD1-N 3.33Å; W111-G203 VanDerWaalsContact CG-C 3.48Å; W111-T205 WeakPolarHBondContact O-CG2 3.18Å; W111-E207 HydrophobicContact CE3-CB 4.25Å; W111-E207 HydrophobicContact CH2-CB 4.37Å; W111-E207 HydrophobicContact CZ3-CB 3.65Å; W111-A208 HydrophobicContact CE3-CB 3.79Å; W111-A208 HydrophobicContact CZ3-CB 3.57Å; W111-A268 HydrophobicContact CB-CB 4.39Å
112L93.6Very high89.8Confident1 Ų117.7 Ų17.71%0.00511%0.106CC..Hα-helixtrans-69.1-47.3175.7176.963.2000109.6D109 C110 A114 A115 I116 E187 Y190 L200 A208 F212D109-L112 HydrophobicContact CB-CB 4.45Å; D109-L112 WeakPolarHBondContact O-CA 3.13Å; D109-L112 VanDerWaalsContact O-CB 3.31Å; D109-L112 WeakPolarHBondContact O-CB 3.12Å; D109-L112 PolarHBondContact O-N 3.36Å; C110-L112 VanDerWaalsContact C-N 3.33Å; C110-L112 PolarHBondContact O-N 2.98Å; L112-A114 PolarHBondContact O-N 3.38Å; L112-A115 CarbonylContact O-C 3.49Å; L112-A115 WeakPolarHBondContact O-CA 3.15Å; L112-A115 WeakPolarHBondContact O-CB 3.43Å; L112-A115 PolarHBondContact O-N 3.44Å; L112-I116 HydrophobicContact CD1-CD1 4.41Å; L112-I116 HydrophobicContact CD1-CG1 4.49Å; L112-I116 HydrophobicContact CG-CD1 4.04Å; L112-I116 HydrophobicContact CG-CG1 4.49Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 3.31Å; L112-E187 HydrophobicContact CD2-CG 4.37Å; L112-Y190 HydrophobicContact CD1-CD1 3.64Å; L112-Y190 HydrophobicContact CD1-CE1 3.68Å; L112-Y190 HydrophobicContact CD1-CG 4.1Å; L112-Y190 HydrophobicContact CD2-CD1 3.6Å; L112-Y190 HydrophobicContact CD2-CE1 4.22Å; L112-Y190 HydrophobicContact CD2-CG 4.29Å; L112-Y190 HydrophobicContact CG-CD1 4.27Å; L112-L200 HydrophobicContact CD2-CD1 3.9Å; L112-A208 HydrophobicContact CD1-CB 3.7Å; L112-F212 HydrophobicContact CD1-CE1 4.36Å; L112-F212 HydrophobicContact CD1-CE2 4.24Å; L112-F212 HydrophobicContact CD1-CZ 3.53Å
113L92.4Very high89.7Confident0 Ų023.7 Ų23.70%013%0.134CC..Hα-helixtrans-68.2-36.8-175.3-55.5-167.5000112.7I102 Q104 D109 C110 A115 I116 A117 T173 P295I102-L113 HydrophobicContact CG2-CB 3.71Å; I102-L113 HydrophobicContact CG2-CD1 4.48Å; I102-L113 HydrophobicContact CG2-CD2 4.24Å; I102-L113 HydrophobicContact CG2-CG 4.34Å; Q104-L113 HydrophobicContact CB-CD1 3.46Å; Q104-L113 VanDerWaalsContact CB-CD1 3.46Å; Q104-L113 HydrophobicContact CG-CD1 3.57Å; D109-L113 PolarHBondContact O-N 3.4Å; C110-L113 PolarHBondContact O-N 2.94Å; L113-A115 VanDerWaalsContact C-N 3.28Å; L113-A115 PolarHBondContact O-N 3.43Å; L113-I116 HydrophobicContact CD2-CD1 3.97Å; L113-I116 PolarHBondContact O-N 3.27Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.47Å; L113-T173 WeakPolarHBondContact CD1-OG1 3.38Å; L113-T173 HydrophobicContact CD2-CG2 4.25Å; L113-T173 WeakPolarHBondContact CD2-OG1 3.29Å; L113-P295 HydrophobicContact CB-CB 3.73Å
114A92.1Very high89.6Confident0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-61.1-38.3170.800000111.4C110 L112 C118 T205 A268 S270 P295C110-A114 VanDerWaalsContact O-CB 3.31Å; C110-A114 WeakPolarHBondContact O-CB 3.23Å; C110-A114 PolarHBondContact O-N 2.68Å; L112-A114 PolarHBondContact O-N 3.38Å; A114-C118 PolarHBondContact O-N 2.84Å; A114-C118 VanDerWaalsContact O-N 3.07Å; A114-C118 PolarHBondContact O-SG 3.4Å; A114-T205 HydrophobicContact CB-CG2 3.95Å; A114-A268 HydrophobicContact CB-CB 3.85Å; A114-S270 WeakPolarHBondContact CA-OG 3.43Å; A114-S270 PolarHBondContact O-OG 3.09Å; A114-P295 HydrophobicContact CB-CG 4.31Å
115A94.2Very high89.5Confident0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-69.6-40.6174.900000112.5W111 L112 L113 A117 C118 L119 T205 A208 M209 F212W111-A115 PolarHBondContact O-N 2.7Å; L112-A115 CarbonylContact O-C 3.49Å; L112-A115 WeakPolarHBondContact O-CA 3.15Å; L112-A115 WeakPolarHBondContact O-CB 3.43Å; L112-A115 PolarHBondContact O-N 3.44Å; L113-A115 VanDerWaalsContact C-N 3.28Å; L113-A115 PolarHBondContact O-N 3.43Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-A117 PolarHBondContact O-N 2.94Å; A115-C118 WeakPolarHBondContact O-CB 3.36Å; A115-C118 PolarHBondContact O-N 2.93Å; A115-L119 PolarHBondContact O-N 3.48Å; A115-T205 HydrophobicContact CB-CG2 4Å; A115-A208 HydrophobicContact CB-CB 3.4Å; A115-A208 VanDerWaalsContact CB-CB 3.4Å; A115-M209 HydrophobicContact CB-CG 3.82Å; A115-F212 HydrophobicContact CB-CD2 4.11Å; A115-F212 HydrophobicContact CB-CE2 3.78Å
116I93.7Very high89.7Confident0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-62.5-43.2175.2-60.7169000109.9I102 L112 L113 C118 L119 T120 W182 L186 F212I102-I116 HydrophobicContact CD1-CB 4.26Å; I102-I116 HydrophobicContact CD1-CG2 3.38Å; I102-I116 HydrophobicContact CG1-CB 4.43Å; I102-I116 HydrophobicContact CG1-CG2 3.88Å; L112-I116 HydrophobicContact CD1-CD1 4.41Å; L112-I116 HydrophobicContact CD1-CG1 4.49Å; L112-I116 HydrophobicContact CG-CD1 4.04Å; L112-I116 HydrophobicContact CG-CG1 4.49Å; L112-I116 WeakPolarHBondContact O-CG1 3.41Å; L112-I116 PolarHBondContact O-N 3.31Å; L113-I116 HydrophobicContact CD2-CD1 3.97Å; L113-I116 PolarHBondContact O-N 3.27Å; I116-C118 VanDerWaalsContact C-N 3.3Å; I116-C118 PolarHBondContact O-N 2.86Å; I116-L119 VanDerWaalsContact O-CB 3.27Å; I116-L119 WeakPolarHBondContact O-CB 3.46Å; I116-L119 PolarHBondContact O-N 3.24Å; I116-T120 PolarHBondContact O-N 3.47Å; I116-W182 HydrophobicContact CG2-CH2 3.64Å; I116-W182 HydrophobicContact CG2-CZ3 3.81Å; I116-L186 HydrophobicContact CD1-CD2 3.89Å; I116-L186 HydrophobicContact CD1-CG 4.37Å; I116-L186 HydrophobicContact CG1-CD2 3.91Å; I116-L186 HydrophobicContact CG2-CD2 3.89Å; I116-F212 HydrophobicContact CB-CE2 4.42Å; I116-F212 HydrophobicContact CD1-CZ 4.4Å; I116-F212 HydrophobicContact CG1-CE2 3.6Å; I116-F212 HydrophobicContact CG1-CZ 3.57Å
117A91.3Very high90Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-61-38.5175.800000112.1R99 L113 A115 T120 S270R99-A117 HydrophobicContact CB-CB 4.05Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.47Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-A117 PolarHBondContact O-N 2.94Å; A117-T120 PolarHBondContact O-N 3.39Å; A117-T120 PolarHBondContact O-OG1 2.92Å; A117-S270 WeakPolarHBondContact CB-OG 3.39Å
118C91.2Very high90.1Very high0 Ų024.8 Ų24.80%012%0.121CC..Hα-helixtrans-64.5-38.8171.6-68.20000112.3A114 A115 I116 T120 L121 M209 L242 M243 S270A114-C118 PolarHBondContact O-N 2.84Å; A114-C118 VanDerWaalsContact O-N 3.07Å; A114-C118 PolarHBondContact O-SG 3.4Å; A115-C118 WeakPolarHBondContact O-CB 3.36Å; A115-C118 PolarHBondContact O-N 2.93Å; I116-C118 VanDerWaalsContact C-N 3.3Å; I116-C118 PolarHBondContact O-N 2.86Å; C118-T120 PolarHBondContact O-N 2.89Å; C118-L121 VanDerWaalsContact O-CB 3.26Å; C118-L121 WeakPolarHBondContact O-CB 3.34Å; C118-L121 WeakPolarHBondContact O-CG 3.48Å; C118-L121 PolarHBondContact O-N 2.77Å; C118-M209 HydrophobicContact CB-CE 4.15Å; C118-L242 HydrophobicContact CB-CB 3.99Å; C118-L242 HydrophobicContact CB-CD1 4.49Å; C118-L242 HydrophobicContact CB-CD2 4.12Å; C118-L242 HydrophobicContact CB-CG 4.42Å; C118-L242 WeakPolarHBondContact O-CD2 3.47Å; C118-M243 PolarHBondContact SG-O 3.47Å; C118-S270 VanDerWaalsContact SG-CB 3.51Å
119L91.1Very high90.6Very high0 Ų023.6 Ų23.60%011%0.109CC..Hα-helixtrans-59-36.6-179.9-175.164000111.9A115 I116 L121 N122 L125 L126 V129 F212A115-L119 PolarHBondContact O-N 3.48Å; I116-L119 VanDerWaalsContact O-CB 3.27Å; I116-L119 WeakPolarHBondContact O-CB 3.46Å; I116-L119 PolarHBondContact O-N 3.24Å; L119-L121 PolarHBondContact O-N 2.97Å; L119-L121 VanDerWaalsContact O-N 3.15Å; L119-N122 CarbonylContact O-C 3.59Å; L119-N122 PolarHBondContact O-N 3.18Å; L119-L125 HydrophobicContact CD1-CB 3.61Å; L119-L126 HydrophobicContact CD2-CD1 3.82Å; L119-L126 HydrophobicContact CG-CB 4.13Å; L119-L126 HydrophobicContact CG-CD1 3.9Å; L119-V129 HydrophobicContact CD1-CG2 4.48Å; L119-V129 HydrophobicContact CD2-CB 3.96Å; L119-V129 HydrophobicContact CD2-CG1 4.15Å; L119-V129 HydrophobicContact CD2-CG2 4Å; L119-F212 HydrophobicContact CD1-CB 4.22Å; L119-F212 HydrophobicContact CD2-CB 4.3Å; L119-F212 HydrophobicContact CD2-CD2 4.17Å; L119-F212 HydrophobicContact CD2-CG 4.15Å
120T90.6Very high91Very high15 Ų1523.6 Ų23.69%0.09211%0.109CC..THydrogen-bonded Turntrans-64.8-16.4177.569.30000114.1R99 I116 A117 C118 N122 W182R99-T120 WeakPolarHBondContact CA-OG1 3.47Å; R99-T120 WeakPolarHBondContact CB-OG1 3.28Å; R99-T120 PolarHBondContact N-OG1 2.92Å; R99-T120 VanDerWaalsContact N-OG1 3.11Å; I116-T120 PolarHBondContact O-N 3.47Å; A117-T120 PolarHBondContact O-N 3.39Å; A117-T120 PolarHBondContact O-OG1 2.92Å; C118-T120 PolarHBondContact O-N 2.89Å; T120-N122 PolarHBondContact O-N 2.9Å; T120-W182 HydrophobicContact CG2-CH2 3.81Å; T120-W182 HydrophobicContact CG2-CZ2 4.02Å
121L85.9Confident91.2Very high68 Ų6823.5 Ų23.536%0.35611%0.108SC..THydrogen-bonded Turntrans-74.4-11.7175.9-54.4174.2000112.4C118 L119 T272C118-L121 VanDerWaalsContact O-CB 3.26Å; C118-L121 WeakPolarHBondContact O-CB 3.34Å; C118-L121 WeakPolarHBondContact O-CG 3.48Å; C118-L121 PolarHBondContact O-N 2.77Å; L119-L121 PolarHBondContact O-N 2.97Å; L119-L121 VanDerWaalsContact O-N 3.15Å; L121-T272 HydrophobicContact CD1-CG2 4.28Å
122N86.3Confident91.1Very high34 Ų3429 Ų2918%0.18213%0.134CC..  trans-13492.9178.8-172.6-28.7000110L119 T120 K124 L125 L126L119-N122 CarbonylContact O-C 3.59Å; L119-N122 PolarHBondContact O-N 3.18Å; T120-N122 PolarHBondContact O-N 2.9Å; N122-K124 PolarHBondContact O-N 3.18Å; N122-K124 VanDerWaalsContact O-N 3.17Å; N122-K124 PolarHBondContact OD1-N 2.7Å; N122-L125 HydrophobicContact CB-CB 4.23Å; N122-L125 HydrophobicContact CB-CD1 3.95Å; N122-L125 HydrophobicContact CB-CG 4.23Å; N122-L125 WeakPolarHBondContact ND2-CD1 3.49Å; N122-L125 PolarHBondContact O-N 3.06Å; N122-L125 PolarHBondContact OD1-N 3.1Å; N122-L126 PolarHBondContact O-N 3.42Å
123E87Confident91Very high127 Ų12734 Ų3459%0.59316%0.157SC*.Hα-helixtrans-52.6-38.6-178.3-70.5-174.7172.700113.2L125 L126 Y127E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.35Å; E123-L126 PolarHBondContact O-N 3.47Å; E123-Y127 HydrophobicContact CB-CD2 4.26Å; E123-Y127 HydrophobicContact CB-CE2 3.72Å; E123-Y127 HydrophobicContact CG-CE2 4.33Å; E123-Y127 WeakPolarHBondContact O-CD2 3.38Å; E123-Y127 VanDerWaalsContact O-CG 3.22Å; E123-Y127 PolarHBondContact O-N 3.36Å
124K85.7Confident91.1Very high114 Ų11434.4 Ų34.450%0.49616%0.159SC..Hα-helixtrans-65-39179.8-71.4-175.7172.4-179.10112.5N122 R128 E358N122-K124 PolarHBondContact O-N 3.18Å; N122-K124 VanDerWaalsContact O-N 3.17Å; N122-K124 PolarHBondContact OD1-N 2.7Å; K124-R128 WeakPolarHBondContact O-CG 3.3Å; K124-E358 HydrophobicContact CD-CG 4.2Å; K124-E358 VanDerWaalsContact CE-OE1 3.28Å; K124-E358 WeakPolarHBondContact CE-OE1 3.34Å; K124-E358 IonicContact NZ-OE1 3.52Å; K124-E358 PolarHBondContact NZ-OE1 3.01Å
125L87.5Confident91.3Very high1 Ų135.8 Ų35.81%0.00517%0.169CC..Hα-helixtrans-72.7-42175-68.9176.8000111.2L119 N122 E123 Y127 R128 V129 T213 L242 L352 A356L119-L125 HydrophobicContact CD1-CB 3.61Å; N122-L125 HydrophobicContact CB-CB 4.23Å; N122-L125 HydrophobicContact CB-CD1 3.95Å; N122-L125 HydrophobicContact CB-CG 4.23Å; N122-L125 WeakPolarHBondContact ND2-CD1 3.49Å; N122-L125 PolarHBondContact O-N 3.06Å; N122-L125 PolarHBondContact OD1-N 3.1Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 3.35Å; L125-Y127 VanDerWaalsContact C-N 3.3Å; L125-Y127 PolarHBondContact O-N 2.93Å; L125-R128 WeakPolarHBondContact O-CB 3.42Å; L125-R128 PolarHBondContact O-N 3.17Å; L125-R128 VanDerWaalsContact O-N 3.12Å; L125-V129 PolarHBondContact O-N 3.11Å; L125-T213 HydrophobicContact CD1-CG2 4.03Å; L125-L242 HydrophobicContact CD1-CD2 4.41Å; L125-L352 HydrophobicContact CD1-CD1 3.71Å; L125-L352 HydrophobicContact CD1-CD2 3.48Å; L125-L352 VanDerWaalsContact CD1-CD2 3.48Å; L125-L352 HydrophobicContact CD1-CG 4.22Å; L125-L352 HydrophobicContact CD2-CD2 4.26Å; L125-L352 HydrophobicContact CG-CD1 4.45Å; L125-L352 HydrophobicContact CG-CD2 4.49Å; L125-A356 HydrophobicContact CD2-CB 3.83Å
126L91.7Very high91.4Very high0 Ų035.9 Ų35.90%017%0.169CC..Hα-helixtrans-54.6-49.6176.7177.472.3000110.8A97 L119 N122 E123 R128 V129 V130 W182A97-L126 HydrophobicContact CB-CD2 3.3Å; L119-L126 HydrophobicContact CD2-CD1 3.82Å; L119-L126 HydrophobicContact CG-CB 4.13Å; L119-L126 HydrophobicContact CG-CD1 3.9Å; N122-L126 PolarHBondContact O-N 3.42Å; E123-L126 PolarHBondContact O-N 3.47Å; L126-R128 PolarHBondContact O-N 2.94Å; L126-V129 PolarHBondContact O-N 3.29Å; L126-V130 HydrophobicContact CD1-CB 4.36Å; L126-V130 HydrophobicContact CD1-CG2 3.89Å; L126-V130 WeakPolarHBondContact O-CB 3.34Å; L126-V130 PolarHBondContact O-N 3.17Å; L126-W182 HydrophobicContact CD1-CH2 4.06Å; L126-W182 HydrophobicContact CD1-CZ3 3.95Å
127Y91.5Very high91.4Very high61 Ų6140.1 Ų40.124%0.23920%0.195CC..Hα-helixtrans-72.7-9.9-177-57.7-39.4000114.5E123 L125 V130 Q132E123-Y127 HydrophobicContact CB-CD2 4.26Å; E123-Y127 HydrophobicContact CB-CE2 3.72Å; E123-Y127 HydrophobicContact CG-CE2 4.33Å; E123-Y127 WeakPolarHBondContact O-CD2 3.38Å; E123-Y127 VanDerWaalsContact O-CG 3.22Å; E123-Y127 PolarHBondContact O-N 3.36Å; L125-Y127 VanDerWaalsContact C-N 3.3Å; L125-Y127 PolarHBondContact O-N 2.93Å; Y127-V130 WeakPolarHBondContact CA-O 3.47Å; Y127-Q132 HydrophobicContact CD1-CG 3.19Å; Y127-Q132 HydrophobicContact CD2-CG 4.13Å; Y127-Q132 HydrophobicContact CE1-CG 3.59Å; Y127-Q132 HydrophobicContact CE2-CG 4.46Å; Y127-Q132 HydrophobicContact CG-CG 3.51Å; Y127-Q132 PolarHBondContact OH-NE2 2.86Å
128R90.3Very high91.4Very high58 Ų5847.2 Ų47.222%0.21923%0.228CC..Hα-helixtrans-73.7-45.2165.3-67.1167.9-170-149.3-3.1110.7K124 L125 L126 Q147 D355 A356K124-R128 WeakPolarHBondContact O-CG 3.3Å; L125-R128 WeakPolarHBondContact O-CB 3.42Å; L125-R128 PolarHBondContact O-N 3.17Å; L125-R128 VanDerWaalsContact O-N 3.12Å; L126-R128 PolarHBondContact O-N 2.94Å; R128-Q147 WeakPolarHBondContact O-CB 3.36Å; R128-Q147 PolarHBondContact O-OE1 3.26Å; R128-D355 VanDerWaalsContact CZ-O 3.25Å; R128-D355 PolarHBondContact NH1-O 3.08Å; R128-D355 PolarHBondContact NH2-O 3.23Å; R128-A356 VanDerWaalsContact NH1-CA 3.27Å
129V95.6Very high91.6Very high0 Ų052.3 Ų52.30%026%0.256CS..Hα-helixtrans-77-36.6-179.2178.10000111.7L119 L125 L126 P131 F146 Q147 F148 L186 F212L119-V129 HydrophobicContact CD1-CG2 4.48Å; L119-V129 HydrophobicContact CD2-CB 3.96Å; L119-V129 HydrophobicContact CD2-CG1 4.15Å; L119-V129 HydrophobicContact CD2-CG2 4Å; L125-V129 PolarHBondContact O-N 3.11Å; L126-V129 PolarHBondContact O-N 3.29Å; V129-P131 WeakPolarHBondContact O-CD 3.35Å; V129-F146 VanDerWaalsContact O-CA 3.28Å; V129-F146 WeakPolarHBondContact O-CA 3.22Å; V129-F146 WeakPolarHBondContact O-CB 3.43Å; V129-Q147 WeakPolarHBondContact CA-O 3.32Å; V129-Q147 WeakPolarHBondContact CG1-O 3.28Å; V129-Q147 PolarHBondContact O-N 2.93Å; V129-F148 HydrophobicContact CG1-CD1 4.35Å; V129-F148 HydrophobicContact CG1-CE1 4.1Å; V129-L186 HydrophobicContact CG1-CD1 3.64Å; V129-F212 HydrophobicContact CG1-CD1 4.05Å; V129-F212 HydrophobicContact CG1-CE1 4.46Å; V129-F212 HydrophobicContact CG2-CB 3.96Å; V129-F212 HydrophobicContact CG2-CD1 4.31Å; V129-F212 HydrophobicContact CG2-CG 4.43Å; V129-F212 VanDerWaalsContact CG2-O 3.25Å; V129-F212 WeakPolarHBondContact CG2-O 3.48Å
130V96.4Very high91.9Very high0 Ų054 Ų540%026%0.263CS..SBendtrans-121.386.2-174.6-173.60000109.2F92 I93 L126 Y127 Q132 F146 W182 L186F92-V130 HydrophobicContact CE1-CG1 3.67Å; F92-V130 HydrophobicContact CZ-CG1 3.77Å; I93-V130 HydrophobicContact CD1-CG1 4.4Å; L126-V130 HydrophobicContact CD1-CB 4.36Å; L126-V130 HydrophobicContact CD1-CG2 3.89Å; L126-V130 WeakPolarHBondContact O-CB 3.34Å; L126-V130 PolarHBondContact O-N 3.17Å; Y127-V130 WeakPolarHBondContact CA-O 3.47Å; V130-Q132 PolarHBondContact O-N 3.02Å; V130-F146 HydrophobicContact CB-CD1 4.42Å; V130-F146 HydrophobicContact CB-CE1 4.43Å; V130-F146 HydrophobicContact CG1-CD1 4.41Å; V130-F146 HydrophobicContact CG1-CE1 3.98Å; V130-F146 HydrophobicContact CG2-CD1 4.02Å; V130-F146 HydrophobicContact CG2-CE1 4.09Å; V130-W182 HydrophobicContact CG1-CE3 4.38Å; V130-W182 HydrophobicContact CG2-CE3 4.03Å; V130-W182 HydrophobicContact CG2-CZ3 4.12Å; V130-L186 HydrophobicContact CG2-CD1 4.28Å; V130-L186 HydrophobicContact CG2-CD2 4.17Å
131P94.4Very high92.2Very high10 Ų1053.5 Ų53.57%0.06526%0.26CS..  trans-55.6133177.7-27.236.3000112.1V129 E133 Q134V129-P131 WeakPolarHBondContact O-CD 3.35Å; P131-E133 VanDerWaalsContact C-OE2 3.3Å; P131-E133 WeakPolarHBondContact CB-OE1 3.18Å; P131-E133 WeakPolarHBondContact CB-OE2 3.19Å; P131-Q134 WeakPolarHBondContact O-CG 3.38Å; P131-Q134 PolarHBondContact O-NE2 2.94Å
132Q89.9Confident92.8Very high120 Ų12050.3 Ų50.356%0.56124%0.243SC*.THydrogen-bonded Turntrans-79-17.5-168.4-67.1-173-58.200114.6Y127 V130 Q134Y127-Q132 HydrophobicContact CD1-CG 3.19Å; Y127-Q132 HydrophobicContact CD2-CG 4.13Å; Y127-Q132 HydrophobicContact CE1-CG 3.59Å; Y127-Q132 HydrophobicContact CE2-CG 4.46Å; Y127-Q132 HydrophobicContact CG-CG 3.51Å; Y127-Q132 PolarHBondContact OH-NE2 2.86Å; V130-Q132 PolarHBondContact O-N 3.02Å; Q132-Q134 PolarHBondContact O-N 3.46Å; Q132-Q134 VanDerWaalsContact O-N 3.07Å
133E91.5Very high93.4Very high106 Ų10649 Ų4950%0.49524%0.236SC..THydrogen-bonded Turntrans-73.64.7-174.974.5-81.7-164.200114.1P131 H145P131-E133 VanDerWaalsContact C-OE2 3.3Å; P131-E133 WeakPolarHBondContact CB-OE1 3.18Å; P131-E133 WeakPolarHBondContact CB-OE2 3.19Å; E133-H145 IonicContact OE1-CE1 2.61Å; E133-H145 IonicContact OE1-NE2 3.34Å; E133-H145 PolarHBondContact OE1-NE2 2.97Å; E133-H145 VanDerWaalsContact OE1-NE2 3.13Å
134Q95.3Very high93.9Very high8 Ų843 Ų434%0.03721%0.208CC..  trans-90.7135.3-172.7-59.2-175.484.700111.3F92 P131 Q132 F144 H145F92-Q134 HydrophobicContact CD1-CB 3.88Å; F92-Q134 HydrophobicContact CD2-CB 4.46Å; F92-Q134 HydrophobicContact CE1-CB 3.78Å; F92-Q134 HydrophobicContact CE1-CG 4.48Å; F92-Q134 HydrophobicContact CE2-CB 4.37Å; F92-Q134 HydrophobicContact CG-CB 4.23Å; F92-Q134 HydrophobicContact CZ-CB 4.03Å; P131-Q134 WeakPolarHBondContact O-CG 3.38Å; P131-Q134 PolarHBondContact O-NE2 2.94Å; Q132-Q134 PolarHBondContact O-N 3.46Å; Q132-Q134 VanDerWaalsContact O-N 3.07Å; Q134-F144 HydrophobicContact CB-CD1 3.9Å; Q134-F144 HydrophobicContact CB-CE1 4.09Å; Q134-F144 HydrophobicContact CG-CD1 4.4Å; Q134-F144 VanDerWaalsContact OE1-CA 3.23Å; Q134-F144 VanDerWaalsContact OE1-CB 3.28Å; Q134-H145 PolarHBondContact NE2-O 3.42Å; Q134-H145 PolarHBondContact OE1-O 3.48Å
135S95.1Very high94.5Very high30 Ų3038 Ų3821%0.2119%0.186CC..  trans-152152.9-176.4-177.80000112.6T137 E138S135-T137 PolarHBondContact OG-N 3.19Å; S135-T137 PolarHBondContact OG-OG1 3.41Å; S135-E138 PolarHBondContact OG-N 3.43Å
136F96.8Very high95Very high2 Ų238 Ų381%0.00919%0.186CC..SBendtrans-85.8-11.2169-69.9-77.7000113.3P83 K84 P90 Q91 F92 Y140 F144 D161 F181 L185P83-F136 HydrophobicContact CB-CD1 4.37Å; P83-F136 HydrophobicContact CB-CE1 3.72Å; P83-F136 HydrophobicContact CB-CZ 3.87Å; P83-F136 HydrophobicContact CG-CE1 3.61Å; P83-F136 HydrophobicContact CG-CZ 3.63Å; K84-F136 WeakPolarHBondContact CE-O 3.37Å; K84-F136 PolarHBondContact NZ-O 3.09Å; P90-F136 HydrophobicContact CB-CB 4.47Å; P90-F136 HydrophobicContact CB-CD1 4.39Å; P90-F136 HydrophobicContact CB-CD2 4.11Å; P90-F136 HydrophobicContact CB-CE2 4.46Å; P90-F136 HydrophobicContact CB-CG 4.07Å; P90-F136 HydrophobicContact CG-CB 4.16Å; P90-F136 HydrophobicContact CG-CD1 4.4Å; P90-F136 HydrophobicContact CG-CG 4.17Å; P90-F136 WeakPolarHBondContact O-CB 3.24Å; Q91-F136 VanDerWaalsContact C-CD2 3.43Å; Q91-F136 WeakPolarHBondContact O-CE2 3.4Å; F92-F136 HydrophobicContact CB-CD2 4.28Å; F92-F136 HydrophobicContact CB-CE2 4.21Å; F92-F136 HydrophobicContact CD2-CE2 4.4Å; F136-Y140 HydrophobicContact CD1-CD2 4.09Å; F136-Y140 AromaticContact CD1-CE2 3.67Å; F136-Y140 HydrophobicContact CD1-CE2 3.67Å; F136-Y140 HydrophobicContact CE1-CE2 4.23Å; F136-Y140 WeakPolarHBondContact O-CB 3.32Å; F136-F144 HydrophobicContact CD1-CE2 4.27Å; F136-F144 AromaticContact CD1-CZ 3.79Å; F136-F144 HydrophobicContact CD1-CZ 3.79Å; F136-F144 HydrophobicContact CD2-CZ 4.37Å; F136-F144 AromaticContact CE1-CE2 3.7Å; F136-F144 HydrophobicContact CE1-CE2 3.7Å; F136-F144 AromaticContact CE1-CZ 3.45Å; F136-F144 HydrophobicContact CE1-CZ 3.45Å; F136-F144 VanDerWaalsContact CE1-CZ 3.45Å; F136-F144 HydrophobicContact CE2-CZ 4.1Å; F136-F144 HydrophobicContact CG-CZ 4.22Å; F136-F144 HydrophobicContact CZ-CE1 4.33Å; F136-F144 HydrophobicContact CZ-CE2 4.09Å; F136-F144 AromaticContact CZ-CZ 3.62Å; F136-F144 HydrophobicContact CZ-CZ 3.62Å; F136-D161 HydrophobicContact CE1-CB 4.34Å; F136-F181 HydrophobicContact CE2-CB 4Å; F136-F181 HydrophobicContact CE2-CD2 4.28Å; F136-F181 HydrophobicContact CZ-CB 3.97Å; F136-F181 HydrophobicContact CZ-CG 4.44Å; F136-L185 HydrophobicContact CZ-CD1 3.97Å
137T93.2Very high95.3Very high89 Ų8939.6 Ų39.655%0.54619%0.194SC..SBendtrans-102-58.8-177.455.20000111.4S135S135-T137 PolarHBondContact OG-N 3.19Å; S135-T137 PolarHBondContact OG-OG1 3.41Å
138E93.2Very high95.5Very high148 Ų14836.7 Ų36.769%0.69218%0.182SC*.THydrogen-bonded Turntrans-83130.3-176.7-63.2-176.2-175.600111.3S135 Y140S135-E138 PolarHBondContact OG-N 3.43Å; E138-Y140 PolarHBondContact O-N 3.27Å
139N93.7Very high95.7Very high107 Ų10734.6 Ų34.657%0.57217%0.174SC*.THydrogen-bonded Turntrans50.133.7175.9-64-42000114.2L45 A141L45-N139 HydrophobicContact CD1-CB 3.97Å; N139-A141 PolarHBondContact O-N 2.8Å
140Y97.5Very high95.4Very high37 Ų3735.6 Ų35.615%0.14518%0.178CC..  trans-71.1121.2-178.3174.9-100.4000112L50 K84 F136 E138 F144 D161L50-Y140 HydrophobicContact CD1-CE1 4.44Å; L50-Y140 HydrophobicContact CD2-CD1 4.06Å; L50-Y140 HydrophobicContact CD2-CE1 3.51Å; K84-Y140 HydrophobicContact CD-CD1 4.3Å; K84-Y140 HydrophobicContact CD-CE1 3.76Å; F136-Y140 HydrophobicContact CD1-CD2 4.09Å; F136-Y140 AromaticContact CD1-CE2 3.67Å; F136-Y140 HydrophobicContact CD1-CE2 3.67Å; F136-Y140 HydrophobicContact CE1-CE2 4.23Å; F136-Y140 WeakPolarHBondContact O-CB 3.32Å; E138-Y140 PolarHBondContact O-N 3.27Å; Y140-F144 HydrophobicContact CE2-CE2 4.29Å; Y140-D161 VanDerWaalsContact CE2-OD2 3.23Å; Y140-D161 WeakPolarHBondContact CE2-OD2 3.38Å; Y140-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y140-D161 PolarHBondContact OH-OD2 3.35Å
141A97.7Very high94.9Very high4 Ų436.5 Ų36.53%0.03318%0.182CC..SBendtrans-128.420.5171.800000112.6L45 L50 F51 N139 I143L45-A141 HydrophobicContact CD2-CB 4.1Å; L45-A141 HydrophobicContact CG-CB 4.05Å; L50-A141 WeakPolarHBondContact CA-O 3.27Å; F51-A141 PolarHBondContact N-O 2.85Å; N139-A141 PolarHBondContact O-N 2.8Å; A141-I143 VanDerWaalsContact C-N 3.28Å; A141-I143 HydrophobicContact CB-CG2 4.01Å; A141-I143 PolarHBondContact O-N 3.46Å
142G98.1Very high94.5Very high0 Ų037.3 Ų37.30%019%0.192CC..SBendtrans65.529.1-17900000114R82 D160 D161R82-G142 PolarHBondContact NH1-O 3.3Å; G142-D160 WeakPolarHBondContact O-CA 3.37Å; G142-D160 WeakPolarHBondContact O-CB 3.47Å; G142-D161 PolarHBondContact O-N 2.88Å
143I98.6Very high94.4Very high6 Ų632.5 Ų32.53%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-131135.5-174.8-172.9173.3000110.4Y37 L40 R41 F51 A141 V158 I159Y37-I143 HydrophobicContact CD2-CD1 4.23Å; Y37-I143 HydrophobicContact CD2-CG1 4.02Å; Y37-I143 HydrophobicContact CE2-CG1 4.14Å; Y37-I143 HydrophobicContact CE2-CG2 4.17Å; L40-I143 HydrophobicContact CB-CD1 3.57Å; L40-I143 HydrophobicContact CD1-CD1 4.42Å; R41-I143 HydrophobicContact CB-CG2 3.87Å; R41-I143 HydrophobicContact CG-CG2 3.91Å; F51-I143 HydrophobicContact CB-CB 3.78Å; F51-I143 HydrophobicContact CB-CD1 4.41Å; F51-I143 HydrophobicContact CB-CG1 4.35Å; F51-I143 HydrophobicContact CD1-CB 3.89Å; F51-I143 HydrophobicContact CD1-CD1 3.87Å; F51-I143 HydrophobicContact CD1-CG1 3.63Å; F51-I143 HydrophobicContact CD2-CD1 4.36Å; F51-I143 HydrophobicContact CE1-CD1 4.21Å; F51-I143 HydrophobicContact CE1-CG1 4.15Å; F51-I143 HydrophobicContact CG-CB 4.06Å; F51-I143 HydrophobicContact CG-CD1 3.96Å; F51-I143 HydrophobicContact CG-CG1 4.07Å; A141-I143 VanDerWaalsContact C-N 3.28Å; A141-I143 HydrophobicContact CB-CG2 4.01Å; A141-I143 PolarHBondContact O-N 3.46Å; I143-V158 HydrophobicContact CD1-CG1 3.62Å; I143-V158 HydrophobicContact CG1-CG1 3.64Å; I143-I159 WeakPolarHBondContact CA-O 3Å
144F98.7Very high94.5Very high1 Ų128.4 Ų28.40%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-138.7164.1-179.5-68-94.2000109.4F92 Q134 F136 Y140 F146 V158 I159 D161 L185F92-F144 AromaticContact CD2-CD1 3.74Å; F92-F144 HydrophobicContact CD2-CD1 3.74Å; F92-F144 AromaticContact CD2-CE1 3.5Å; F92-F144 HydrophobicContact CD2-CE1 3.5Å; F92-F144 HydrophobicContact CD2-CZ 4.5Å; F92-F144 AromaticContact CE2-CD1 3.56Å; F92-F144 HydrophobicContact CE2-CD1 3.56Å; F92-F144 AromaticContact CE2-CE1 3.86Å; F92-F144 HydrophobicContact CE2-CE1 3.86Å; F92-F144 HydrophobicContact CG-CE1 4.23Å; F92-F144 HydrophobicContact CZ-CD1 4.35Å; Q134-F144 HydrophobicContact CB-CD1 3.9Å; Q134-F144 HydrophobicContact CB-CE1 4.09Å; Q134-F144 HydrophobicContact CG-CD1 4.4Å; Q134-F144 VanDerWaalsContact OE1-CA 3.23Å; Q134-F144 VanDerWaalsContact OE1-CB 3.28Å; F136-F144 HydrophobicContact CD1-CE2 4.27Å; F136-F144 AromaticContact CD1-CZ 3.79Å; F136-F144 HydrophobicContact CD1-CZ 3.79Å; F136-F144 HydrophobicContact CD2-CZ 4.37Å; F136-F144 AromaticContact CE1-CE2 3.7Å; F136-F144 HydrophobicContact CE1-CE2 3.7Å; F136-F144 AromaticContact CE1-CZ 3.45Å; F136-F144 HydrophobicContact CE1-CZ 3.45Å; F136-F144 VanDerWaalsContact CE1-CZ 3.45Å; F136-F144 HydrophobicContact CE2-CZ 4.1Å; F136-F144 HydrophobicContact CG-CZ 4.22Å; F136-F144 HydrophobicContact CZ-CE1 4.33Å; F136-F144 HydrophobicContact CZ-CE2 4.09Å; F136-F144 AromaticContact CZ-CZ 3.62Å; F136-F144 HydrophobicContact CZ-CZ 3.62Å; Y140-F144 HydrophobicContact CE2-CE2 4.29Å; F144-F146 HydrophobicContact CB-CE2 4.3Å; F144-V158 CarbonylContact O-C 3.57Å; F144-V158 WeakPolarHBondContact O-CA 3.25Å; F144-I159 HydrophobicContact CB-CG1 4.19Å; F144-I159 PolarHBondContact N-O 3.28Å; F144-I159 PolarHBondContact O-N 3.37Å; F144-D161 HydrophobicContact CD2-CB 3.8Å; F144-D161 HydrophobicContact CE2-CB 3.63Å; F144-L185 HydrophobicContact CB-CD1 4.48Å; F144-L185 HydrophobicContact CD1-CD1 4.02Å; F144-L185 HydrophobicContact CD2-CD1 3.88Å; F144-L185 HydrophobicContact CE1-CD1 4.23Å; F144-L185 HydrophobicContact CE2-CD1 4.11Å; F144-L185 HydrophobicContact CG-CD1 3.86Å; F144-L185 HydrophobicContact CZ-CD1 4.28Å
145H98.3Very high94.5Very high11 Ų1128.7 Ų28.75%0.05115%0.152CC..EExtended strand (participates in β ladder)trans-147156.5175.577131.5000112.5Y37 E133 Q134 D156 V157 V158Y37-H145 AromaticContact CD1-CD2 3.71Å; Y37-H145 AromaticContact CD1-NE2 3.74Å; Y37-H145 HydrophobicContact CD2-CB 3.84Å; Y37-H145 AromaticContact CD2-CD2 3.83Å; Y37-H145 AromaticContact CD2-CG 3.88Å; Y37-H145 AromaticContact CE1-CD2 3.81Å; Y37-H145 AromaticContact CE1-NE2 3.85Å; Y37-H145 AromaticContact CE2-CD2 3.93Å; Y37-H145 HydrophobicContact CG-CB 4Å; Y37-H145 AromaticContact CG-CD2 3.71Å; Y37-H145 AromaticContact CG-CG 3.67Å; Y37-H145 AromaticContact CZ-CD2 3.91Å; E133-H145 IonicContact OE1-CE1 2.61Å; E133-H145 IonicContact OE1-NE2 3.34Å; E133-H145 PolarHBondContact OE1-NE2 2.97Å; E133-H145 VanDerWaalsContact OE1-NE2 3.13Å; Q134-H145 PolarHBondContact NE2-O 3.42Å; Q134-H145 PolarHBondContact OE1-O 3.48Å; H145-D156 IonicContact CE1-OD1 3.93Å; H145-D156 IonicContact CG-OD1 2.65Å; H145-D156 IonicContact CG-OD2 3.29Å; H145-D156 IonicContact ND1-OD1 3.02Å; H145-D156 PolarHBondContact ND1-OD1 3.5Å; H145-D156 IonicContact ND1-OD2 2.67Å; H145-D156 PolarHBondContact ND1-OD2 3.25Å; H145-V157 VanDerWaalsContact CA-O 3.26Å; H145-V157 WeakPolarHBondContact CA-O 3.4Å; H145-V158 HydrophobicContact CB-CG2 4.32Å
146F98.3Very high94.6Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-143.9151.8-178-61-88.7000109.7F92 V129 V130 F144 F148 V157 I159 L185 L186 A189F92-F146 HydrophobicContact CE2-CZ 4.1Å; F92-F146 HydrophobicContact CZ-CE1 4.08Å; F92-F146 HydrophobicContact CZ-CZ 4.02Å; V129-F146 VanDerWaalsContact O-CA 3.28Å; V129-F146 WeakPolarHBondContact O-CA 3.22Å; V129-F146 WeakPolarHBondContact O-CB 3.43Å; V130-F146 HydrophobicContact CB-CD1 4.42Å; V130-F146 HydrophobicContact CB-CE1 4.43Å; V130-F146 HydrophobicContact CG1-CD1 4.41Å; V130-F146 HydrophobicContact CG1-CE1 3.98Å; V130-F146 HydrophobicContact CG2-CD1 4.02Å; V130-F146 HydrophobicContact CG2-CE1 4.09Å; F144-F146 HydrophobicContact CB-CE2 4.3Å; F146-F148 HydrophobicContact CB-CE2 3.83Å; F146-F148 HydrophobicContact CB-CZ 3.81Å; F146-V157 PolarHBondContact N-O 3.03Å; F146-V157 PolarHBondContact O-N 3.27Å; F146-I159 HydrophobicContact CD2-CD1 4.4Å; F146-I159 HydrophobicContact CE2-CD1 3.89Å; F146-I159 HydrophobicContact CE2-CG1 4.26Å; F146-L185 HydrophobicContact CE2-CB 3.87Å; F146-L185 WeakPolarHBondContact CE2-O 3.4Å; F146-L185 HydrophobicContact CZ-CB 3.64Å; F146-L186 HydrophobicContact CB-CD1 4.15Å; F146-L186 HydrophobicContact CD1-CB 4.1Å; F146-L186 HydrophobicContact CD1-CD1 3.43Å; F146-L186 VanDerWaalsContact CD1-CD1 3.43Å; F146-L186 HydrophobicContact CD1-CG 4.37Å; F146-L186 HydrophobicContact CE1-CB 3.77Å; F146-L186 HydrophobicContact CE1-CD1 4Å; F146-L186 HydrophobicContact CE1-CG 4.49Å; F146-L186 HydrophobicContact CG-CD1 3.91Å; F146-L186 HydrophobicContact CZ-CB 4.22Å; F146-A189 HydrophobicContact CB-CB 4.06Å; F146-A189 HydrophobicContact CD2-CB 3.39Å; F146-A189 HydrophobicContact CE2-CB 4.16Å; F146-A189 HydrophobicContact CG-CB 3.98Å
147Q97Very high94.7Very high34 Ų3427.8 Ų27.816%0.15915%0.145CC..EExtended strand (participates in β ladder)trans-113.2131.1-179.8-56.3-175.7-9.500111R128 V129 W154 V155 D156R128-Q147 WeakPolarHBondContact O-CB 3.36Å; R128-Q147 PolarHBondContact O-OE1 3.26Å; V129-Q147 WeakPolarHBondContact CA-O 3.32Å; V129-Q147 WeakPolarHBondContact CG1-O 3.28Å; V129-Q147 PolarHBondContact O-N 2.93Å; Q147-W154 HydrophobicContact CB-CE3 4.12Å; Q147-W154 HydrophobicContact CB-CZ3 4.45Å; Q147-V155 WeakPolarHBondContact CA-O 3.19Å; Q147-D156 WeakPolarHBondContact CG-OD1 3.48Å; Q147-D156 PolarHBondContact NE2-OD1 3.44Å
148F96.3Very high94.9Very high0 Ų023.5 Ų23.50%012%0.119CC..EExtended strand (participates in β ladder)trans-127.1138.6177.6-54.5-75.5000110.1V129 F146 R150 V155 V157 L186 A189 Y190 L193 D211 F212V129-F148 HydrophobicContact CG1-CD1 4.35Å; V129-F148 HydrophobicContact CG1-CE1 4.1Å; F146-F148 HydrophobicContact CB-CE2 3.83Å; F146-F148 HydrophobicContact CB-CZ 3.81Å; F148-R150 HydrophobicContact CB-CG 4.43Å; F148-V155 PolarHBondContact N-O 3.49Å; F148-V155 PolarHBondContact O-N 3.37Å; F148-V157 HydrophobicContact CD2-CB 4.23Å; F148-V157 HydrophobicContact CD2-CG2 3.71Å; F148-V157 HydrophobicContact CE2-CB 4.07Å; F148-V157 HydrophobicContact CE2-CG2 4.02Å; F148-L186 HydrophobicContact CE1-CD1 3.63Å; F148-L186 HydrophobicContact CZ-CD1 3.68Å; F148-A189 HydrophobicContact CE2-CB 3.87Å; F148-A189 HydrophobicContact CZ-CB 3.98Å; F148-Y190 AromaticContact CD1-CD2 3.78Å; F148-Y190 HydrophobicContact CD1-CD2 3.78Å; F148-Y190 HydrophobicContact CD1-CE2 4.28Å; F148-Y190 AromaticContact CE1-CD2 3.65Å; F148-Y190 HydrophobicContact CE1-CD2 3.65Å; F148-Y190 HydrophobicContact CE1-CG 4.44Å; F148-Y190 HydrophobicContact CG-CD2 4.32Å; F148-Y190 HydrophobicContact CZ-CD2 4.07Å; F148-L193 HydrophobicContact CB-CD2 3.79Å; F148-L193 HydrophobicContact CD2-CD2 3.74Å; F148-L193 HydrophobicContact CG-CD2 3.87Å; F148-D211 CarbonylContact C-O 3.51Å; F148-D211 WeakPolarHBondContact CA-O 3.28Å; F148-F212 HydrophobicContact CD1-CD1 4.01Å; F148-F212 AromaticContact CD1-CE1 3.94Å; F148-F212 HydrophobicContact CD1-CE1 3.94Å; F148-F212 HydrophobicContact CE1-CD1 4.22Å; F148-F212 AromaticContact CE1-CE1 3.78Å; F148-F212 HydrophobicContact CE1-CE1 3.78Å
149W93.6Very high95.2Very high13 Ų1316.5 Ų16.55%0.0499%0.086CC..EExtended strand (participates in β ladder)trans-74.4130167.3-175.188.8000109.9G152 D153 W154 D211 M421 I506W149-G152 VanDerWaalsContact CE2-N 3.34Å; W149-G152 VanDerWaalsContact CZ2-CA 3.46Å; W149-G152 PolarHBondContact NE1-O 2.85Å; W149-D153 CarbonylContact C-O 3.39Å; W149-W154 HydrophobicContact CB-CD2 4.3Å; W149-W154 HydrophobicContact CB-CE3 4.35Å; W149-W154 HydrophobicContact CB-CH2 4.26Å; W149-W154 HydrophobicContact CB-CZ2 4.17Å; W149-W154 HydrophobicContact CB-CZ3 4.34Å; W149-W154 AromaticContact CD1-NE1 3.83Å; W149-D211 PolarHBondContact N-O 3.28Å; W149-D211 WeakPolarHBondContact O-CA 3.42Å; W149-M421 HydrophobicContact CH2-CE 4.28Å; W149-M421 HydrophobicContact CH2-SD 4.5Å; W149-M421 HydrophobicContact CZ3-CE 3.96Å; W149-M421 HydrophobicContact CZ3-SD 4.17Å; W149-I506 HydrophobicContact CH2-CD1 4.47Å; W149-I506 HydrophobicContact CZ2-CD1 4.46Å
150R90.1Very high95.4Very high21 Ų2111.4 Ų11.48%0.0796%0.059CC..EExtended strand (participates in β ladder)trans-139.7106.3-178.4-62.5-61.2-72160.47.7110F148 G152 D153 V155 L193 H194 D211F148-R150 HydrophobicContact CB-CG 4.43Å; R150-G152 PolarHBondContact O-N 3.49Å; R150-G152 VanDerWaalsContact O-N 3.14Å; R150-D153 PolarHBondContact N-O 3.46Å; R150-D153 PolarHBondContact O-N 3.3Å; R150-V155 HydrophobicContact CB-CG2 3.83Å; R150-V155 HydrophobicContact CG-CB 4.36Å; R150-V155 HydrophobicContact CG-CG2 3.95Å; R150-L193 HydrophobicContact CG-CD1 4.36Å; R150-L193 HydrophobicContact CG-CD2 3.96Å; R150-H194 PolarHBondContact NH1-CE1 3.11Å; R150-D211 IonicContact CZ-OD2 3.79Å; R150-D211 IonicContact NH1-OD1 3.11Å; R150-D211 PolarHBondContact NH1-OD1 3.26Å; R150-D211 IonicContact NH1-OD2 2.65Å; R150-D211 PolarHBondContact NH1-OD2 3.13Å
151Y86Confident95.5Very high19 Ų199.6 Ų9.68%0.0755%0.052CC..THydrogen-bonded Turntrans55.734.3167.8-49-58.1000114.6M421 K423 N424 I506Y151-M421 HydrophobicContact CD1-CG 4.46Å; Y151-M421 HydrophobicContact CD1-SD 3.7Å; Y151-M421 HydrophobicContact CE1-CG 4.42Å; Y151-M421 HydrophobicContact CE1-SD 3.88Å; Y151-K423 HydrophobicContact CD1-CB 4.14Å; Y151-K423 HydrophobicContact CD1-CD 4.31Å; Y151-K423 HydrophobicContact CD1-CG 3.7Å; Y151-K423 HydrophobicContact CD2-CB 4.33Å; Y151-K423 HydrophobicContact CD2-CD 4.33Å; Y151-K423 HydrophobicContact CD2-CG 4.32Å; Y151-K423 HydrophobicContact CE1-CB 4.04Å; Y151-K423 HydrophobicContact CE1-CG 4.08Å; Y151-K423 HydrophobicContact CE2-CB 4.21Å; Y151-K423 HydrophobicContact CG-CB 4.29Å; Y151-K423 HydrophobicContact CG-CD 3.95Å; Y151-K423 HydrophobicContact CG-CG 3.84Å; Y151-N424 WeakPolarHBondContact CE2-OD1 3.49Å; Y151-N424 PolarHBondContact OH-N 3.21Å; Y151-I506 VanDerWaalsContact C-CD1 3.47Å; Y151-I506 VanDerWaalsContact O-CD1 3.26Å; Y151-I506 WeakPolarHBondContact O-CD1 3.34Å
152G85.1Confident95.5Very high27 Ų2711.1 Ų11.128%0.2786%0.057SC..THydrogen-bonded Turntrans113.7-27.6-178.400000113.2W149 R150W149-G152 VanDerWaalsContact CE2-N 3.34Å; W149-G152 VanDerWaalsContact CZ2-CA 3.46Å; W149-G152 PolarHBondContact NE1-O 2.85Å; R150-G152 PolarHBondContact O-N 3.49Å; R150-G152 VanDerWaalsContact O-N 3.14Å
153D88.4Confident95.5Very high20 Ų2011.2 Ų11.211%0.1076%0.057CC..EExtended strand (participates in β ladder)trans-113142.5-170.8-55.6-56.2000111.9R19 G24 I30 W149 R150R19-D153 IonicContact CZ-OD1 3.88Å; R19-D153 IonicContact CZ-OD2 2.78Å; R19-D153 IonicContact NE-OD1 2.8Å; R19-D153 PolarHBondContact NE-OD1 3.26Å; R19-D153 IonicContact NE-OD2 3.84Å; R19-D153 PolarHBondContact NE-OD2 3.01Å; R19-D153 VanDerWaalsContact NE-OD2 3.12Å; R19-D153 IonicContact NH2-OD1 3.85Å; R19-D153 IonicContact NH2-OD2 2.95Å; R19-D153 PolarHBondContact NH2-OD2 3.26Å; G24-D153 CarbonylContact O-C 3.55Å; G24-D153 WeakPolarHBondContact O-CA 3.3Å; I30-D153 HydrophobicContact CD1-CB 3.56Å; I30-D153 HydrophobicContact CG1-CB 4.43Å; W149-D153 CarbonylContact C-O 3.39Å; R150-D153 PolarHBondContact N-O 3.46Å; R150-D153 PolarHBondContact O-N 3.3Å
154W93.3Very high95.5Very high19 Ų1911.1 Ų11.17%0.0726%0.057CC..EExtended strand (participates in β ladder)trans-77.8134165.4-73.689.9000110.3G24 L26 P29 I30 Q147 W149G24-W154 PolarHBondContact O-N 2.85Å; L26-W154 HydrophobicContact CD2-CD2 3.65Å; L26-W154 HydrophobicContact CD2-CE3 4.29Å; L26-W154 HydrophobicContact CD2-CG 3.98Å; L26-W154 HydrophobicContact CD2-CH2 4.3Å; L26-W154 HydrophobicContact CD2-CZ2 3.67Å; L26-W154 HydrophobicContact CG-CD2 4.44Å; L26-W154 HydrophobicContact CG-CG 4.32Å; P29-W154 CarbonylContact C-O 3.52Å; P29-W154 VanDerWaalsContact CA-O 3.27Å; P29-W154 WeakPolarHBondContact CA-O 3.32Å; P29-W154 HydrophobicContact CB-CB 4.11Å; P29-W154 WeakPolarHBondContact CB-O 3.32Å; I30-W154 PolarHBondContact N-O 3.01Å; Q147-W154 HydrophobicContact CB-CE3 4.12Å; Q147-W154 HydrophobicContact CB-CZ3 4.45Å; W149-W154 HydrophobicContact CB-CD2 4.3Å; W149-W154 HydrophobicContact CB-CE3 4.35Å; W149-W154 HydrophobicContact CB-CH2 4.26Å; W149-W154 HydrophobicContact CB-CZ2 4.17Å; W149-W154 HydrophobicContact CB-CZ3 4.34Å; W149-W154 AromaticContact CD1-NE1 3.83Å
155V95.3Very high95.4Very high14 Ų1411.1 Ų11.19%0.0856%0.057CC..EExtended strand (participates in β ladder)trans-125.3124.6-176.2-177.90000109.1I30 F32 Q147 F148 R150 V157I30-V155 HydrophobicContact CB-CG2 4.31Å; I30-V155 CarbonylContact O-C 3.57Å; I30-V155 WeakPolarHBondContact O-CA 3.32Å; F32-V155 HydrophobicContact CB-CG1 3.8Å; F32-V155 HydrophobicContact CD2-CG1 4.1Å; F32-V155 HydrophobicContact CG-CG1 4.39Å; Q147-V155 WeakPolarHBondContact CA-O 3.19Å; F148-V155 PolarHBondContact N-O 3.49Å; F148-V155 PolarHBondContact O-N 3.37Å; R150-V155 HydrophobicContact CB-CG2 3.83Å; R150-V155 HydrophobicContact CG-CB 4.36Å; R150-V155 HydrophobicContact CG-CG2 3.95Å; V155-V157 HydrophobicContact CG1-CG2 4.22Å
156D97.5Very high95.2Very high13 Ų1315 Ų157%0.077%0.074CC..EExtended strand (participates in β ladder)trans-89.2120.7175-165.776.3000109.7P29 I30 F32 H145 Q147P29-D156 HydrophobicContact CB-CB 4.1Å; P29-D156 HydrophobicContact CG-CB 3.93Å; I30-D156 PolarHBondContact O-N 3.47Å; F32-D156 WeakPolarHBondContact CB-O 3.38Å; F32-D156 PolarHBondContact N-O 3.35Å; H145-D156 IonicContact CE1-OD1 3.93Å; H145-D156 IonicContact CG-OD1 2.65Å; H145-D156 IonicContact CG-OD2 3.29Å; H145-D156 IonicContact ND1-OD1 3.02Å; H145-D156 PolarHBondContact ND1-OD1 3.5Å; H145-D156 IonicContact ND1-OD2 2.67Å; H145-D156 PolarHBondContact ND1-OD2 3.25Å; Q147-D156 WeakPolarHBondContact CG-OD1 3.48Å; Q147-D156 PolarHBondContact NE2-OD1 3.44Å
157V98.3Very high95Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans-113.6108.2-176.2-177.60000109.4F32 H145 F146 F148 V155 I159 A189 K192 L193F32-V157 HydrophobicContact CB-CB 4.48Å; F32-V157 HydrophobicContact CB-CG2 3.95Å; F32-V157 HydrophobicContact CD1-CG1 4.21Å; F32-V157 HydrophobicContact CD1-CG2 4.47Å; F32-V157 HydrophobicContact CG-CG2 4.12Å; H145-V157 VanDerWaalsContact CA-O 3.26Å; H145-V157 WeakPolarHBondContact CA-O 3.4Å; F146-V157 PolarHBondContact N-O 3.03Å; F146-V157 PolarHBondContact O-N 3.27Å; F148-V157 HydrophobicContact CD2-CB 4.23Å; F148-V157 HydrophobicContact CD2-CG2 3.71Å; F148-V157 HydrophobicContact CE2-CB 4.07Å; F148-V157 HydrophobicContact CE2-CG2 4.02Å; V155-V157 HydrophobicContact CG1-CG2 4.22Å; V157-I159 HydrophobicContact CG1-CG2 4.42Å; V157-A189 HydrophobicContact CG1-CB 4.14Å; V157-K192 HydrophobicContact CG1-CD 3.97Å; V157-K192 HydrophobicContact CG1-CG 4.27Å; V157-L193 HydrophobicContact CG2-CD1 4.08Å
158V98.6Very high94.8Very high0 Ų023.7 Ų23.70%012%0.122CC..EExtended strand (participates in β ladder)trans-81.8140174.3-176.60000110Q35 L40 F51 I143 F144 H145 K192Q35-V158 HydrophobicContact CB-CB 4.17Å; Q35-V158 HydrophobicContact CB-CG2 4.08Å; L40-V158 HydrophobicContact CD1-CG1 4.3Å; F51-V158 HydrophobicContact CE1-CG1 3.97Å; F51-V158 HydrophobicContact CZ-CG1 4.34Å; I143-V158 HydrophobicContact CD1-CG1 3.62Å; I143-V158 HydrophobicContact CG1-CG1 3.64Å; F144-V158 CarbonylContact O-C 3.57Å; F144-V158 WeakPolarHBondContact O-CA 3.25Å; H145-V158 HydrophobicContact CB-CG2 4.32Å; V158-K192 PolarHBondContact O-NZ 3.36Å
159I98.8Very high94.6Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-138.5158.1172.158.2163.8000111I143 F144 F146 V157 L185 K188 A189 K192I143-I159 WeakPolarHBondContact CA-O 3Å; F144-I159 HydrophobicContact CB-CG1 4.19Å; F144-I159 PolarHBondContact N-O 3.28Å; F144-I159 PolarHBondContact O-N 3.37Å; F146-I159 HydrophobicContact CD2-CD1 4.4Å; F146-I159 HydrophobicContact CE2-CD1 3.89Å; F146-I159 HydrophobicContact CE2-CG1 4.26Å; V157-I159 HydrophobicContact CG1-CG2 4.42Å; I159-L185 HydrophobicContact CD1-CB 4.07Å; I159-L185 HydrophobicContact CD1-CD2 4.03Å; I159-L185 WeakPolarHBondContact CD1-O 3.49Å; I159-K188 HydrophobicContact CD1-CB 4.01Å; I159-K188 HydrophobicContact CD1-CD 4.05Å; I159-K188 HydrophobicContact CD1-CG 4.15Å; I159-A189 HydrophobicContact CD1-CB 4.21Å; I159-A189 HydrophobicContact CG2-CB 3.95Å; I159-K192 HydrophobicContact CG2-CB 4.44Å; I159-K192 HydrophobicContact CG2-CD 3.79Å
160D98.7Very high94.7Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-81.3168157.671.754.1000111.8F51 D53 G142 R162 K188F51-D160 HydrophobicContact CD1-CB 3.7Å; F51-D160 HydrophobicContact CE1-CB 4.3Å; F51-D160 HydrophobicContact CG-CB 4.47Å; F51-D160 VanDerWaalsContact O-CB 3.27Å; F51-D160 WeakPolarHBondContact O-CB 3.39Å; D53-D160 HydrophobicContact CB-CB 4.31Å; D53-D160 WeakPolarHBondContact CB-OD2 3.36Å; D53-D160 PolarHBondContact N-OD2 3.03Å; G142-D160 WeakPolarHBondContact O-CA 3.37Å; G142-D160 WeakPolarHBondContact O-CB 3.47Å; D160-R162 VanDerWaalsContact OD1-CB 3.23Å; D160-R162 WeakPolarHBondContact OD1-CB 3.46Å; D160-R162 WeakPolarHBondContact OD1-CG 3.16Å; D160-R162 PolarHBondContact OD1-N 3.39Å; D160-R162 IonicContact OD1-NE 3.11Å; D160-R162 PolarHBondContact OD1-NE 2.85Å; D160-R162 IonicContact OD2-CZ 3.3Å; D160-R162 VanDerWaalsContact OD2-CZ 3.23Å; D160-R162 IonicContact OD2-NE 3.71Å; D160-R162 PolarHBondContact OD2-NE 3.14Å; D160-R162 IonicContact OD2-NH2 3.86Å; D160-R162 PolarHBondContact OD2-NH2 3.26Å; D160-K188 PolarHBondContact O-NZ 2.88Å; D160-K188 IonicContact OD1-NZ 3.33Å; D160-K188 PolarHBondContact OD1-NZ 3.46Å
161D98.5Very high94.9Very high0 Ų030.8 Ų30.80%016%0.158CC..SBendtrans-91.911.4-179.170.5-9.8000115.4R82 P83 F136 Y140 G142 F144 V163 L185R82-D161 WeakPolarHBondContact CD-OD1 3.37Å; R82-D161 WeakPolarHBondContact CG-OD1 3.45Å; R82-D161 IonicContact CZ-OD1 3.82Å; R82-D161 IonicContact NE-OD1 3.64Å; R82-D161 IonicContact NH1-OD1 3.98Å; R82-D161 PolarHBondContact NH1-OD1 3.07Å; P83-D161 WeakPolarHBondContact CD-O 3.49Å; F136-D161 HydrophobicContact CE1-CB 4.34Å; Y140-D161 VanDerWaalsContact CE2-OD2 3.23Å; Y140-D161 WeakPolarHBondContact CE2-OD2 3.38Å; Y140-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y140-D161 PolarHBondContact OH-OD2 3.35Å; G142-D161 PolarHBondContact O-N 2.88Å; F144-D161 HydrophobicContact CD2-CB 3.8Å; F144-D161 HydrophobicContact CE2-CB 3.63Å; D161-V163 PolarHBondContact O-N 3.12Å; D161-L185 HydrophobicContact CB-CD2 4.02Å
162R98.6Very high95.3Very high35 Ų3530.2 Ų30.213%0.13216%0.156CC..  trans-69121.3173.1-61176.3-71.6-168.71.4109.1E52 A58 W80 R82 D160 K188E52-R162 IonicContact OE1-NH1 2.74Å; E52-R162 IonicContact OE2-CZ 2.62Å; E52-R162 IonicContact OE2-NH1 3.33Å; E52-R162 PolarHBondContact OE2-NH1 3.47Å; E52-R162 IonicContact OE2-NH2 3.1Å; A58-R162 HydrophobicContact CB-CB 4.4Å; W80-R162 HydrophobicContact CB-CB 4.38Å; W80-R162 HydrophobicContact CE3-CB 4.2Å; W80-R162 VanDerWaalsContact CE3-O 3.23Å; W80-R162 WeakPolarHBondContact CZ3-O 3.37Å; R82-R162 HydrophobicContact CG-CG 3.8Å; D160-R162 VanDerWaalsContact OD1-CB 3.23Å; D160-R162 WeakPolarHBondContact OD1-CB 3.46Å; D160-R162 WeakPolarHBondContact OD1-CG 3.16Å; D160-R162 PolarHBondContact OD1-N 3.39Å; D160-R162 IonicContact OD1-NE 3.11Å; D160-R162 PolarHBondContact OD1-NE 2.85Å; D160-R162 IonicContact OD2-CZ 3.3Å; D160-R162 VanDerWaalsContact OD2-CZ 3.23Å; D160-R162 IonicContact OD2-NE 3.71Å; D160-R162 PolarHBondContact OD2-NE 3.14Å; D160-R162 IonicContact OD2-NH2 3.86Å; D160-R162 PolarHBondContact OD2-NH2 3.26Å; R162-K188 WeakPolarHBondContact O-CD 3.49Å; R162-K188 WeakPolarHBondContact O-CE 3.49Å; R162-K188 PolarHBondContact O-NZ 3.27Å
163V97.9Very high95.7Very high2 Ų229 Ų291%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-119147.9-178.9-720000111.3W80 K81 D161 T165 L170 L185W80-V163 WeakPolarHBondContact CA-O 3.45Å; K81-V163 PolarHBondContact N-O 3.44Å; K81-V163 VanDerWaalsContact O-CG2 3.23Å; K81-V163 WeakPolarHBondContact O-CG2 3.46Å; K81-V163 PolarHBondContact O-N 3.05Å; D161-V163 PolarHBondContact O-N 3.12Å; V163-T165 PolarHBondContact O-N 3.29Å; V163-L170 HydrophobicContact CB-CD2 4.06Å; V163-L170 HydrophobicContact CG2-CD2 3.44Å; V163-L170 VanDerWaalsContact CG2-CD2 3.44Å; V163-L185 HydrophobicContact CG1-CD2 3.96Å
164P97.6Very high96Very high4 Ų432.2 Ų32.23%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-66124.6177.8-24.738000112.4L63 I78 W80 V171 F172 Y197L63-P164 HydrophobicContact CD2-CB 3.95Å; L63-P164 HydrophobicContact CD2-CG 3.63Å; I78-P164 HydrophobicContact CG2-CB 3.78Å; W80-P164 HydrophobicContact CD2-CG 4.21Å; W80-P164 HydrophobicContact CE3-CG 4.01Å; W80-P164 HydrophobicContact CH2-CG 3.78Å; W80-P164 HydrophobicContact CZ2-CG 3.97Å; W80-P164 HydrophobicContact CZ3-CG 3.79Å; P164-V171 PolarHBondContact O-N 3.22Å; P164-V171 VanDerWaalsContact O-N 3.16Å; P164-F172 HydrophobicContact CB-CD2 4.11Å; P164-F172 HydrophobicContact CB-CE2 3.91Å; P164-F172 HydrophobicContact CG-CD2 3.93Å; P164-F172 HydrophobicContact CG-CE2 3.73Å; P164-Y197 HydrophobicContact CG-CE2 3.88Å
165T96.9Very high95.9Very high2 Ų231.9 Ų31.91%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-126.8151179.370.40000112.8I78 V79 K81 I86 V163 Q169 L170I78-T165 WeakPolarHBondContact CA-O 3.5Å; V79-T165 PolarHBondContact N-O 3.29Å; V79-T165 WeakPolarHBondContact O-CA 3.26Å; V79-T165 WeakPolarHBondContact O-CB 3.25Å; V79-T165 PolarHBondContact O-N 2.62Å; V79-T165 PolarHBondContact O-OG1 2.98Å; K81-T165 HydrophobicContact CB-CG2 4.04Å; I86-T165 HydrophobicContact CD1-CG2 4.08Å; V163-T165 PolarHBondContact O-N 3.29Å; T165-Q169 CarbonylContact C-O 3.57Å; T165-Q169 WeakPolarHBondContact CA-O 3.47Å; T165-Q169 WeakPolarHBondContact CB-O 3.41Å; T165-L170 HydrophobicContact CG2-CD2 4.4Å
166F94.7Very high95.5Very high92 Ų9234.4 Ų34.440%0.40418%0.179SC..EExtended strand (participates in β ladder)trans-128.5124.4166.7177.2-107.3000107.9N77 N168 Q169 V171N77-F166 HydrophobicContact CB-CD2 3.64Å; N77-F166 HydrophobicContact CB-CE2 3.46Å; N77-F166 VanDerWaalsContact CB-CE2 3.46Å; F166-N168 VanDerWaalsContact C-N 3.27Å; F166-N168 PolarHBondContact O-N 2.71Å; F166-Q169 PolarHBondContact N-O 3.28Å; F166-Q169 PolarHBondContact O-N 2.72Å; F166-V171 HydrophobicContact CB-CG2 3.78Å
167N93.4Very high95.2Very high128 Ų12839 Ų3968%0.68420%0.2SC*.THydrogen-bonded Turntrans50.344-174.9-63-23.5000113.8Q169N167-Q169 PolarHBondContact O-N 3.28Å
168N92.7Very high94.8Very high89 Ų8950 Ų5048%0.47624%0.242SC..THydrogen-bonded Turntrans61.615.5-176.6-57-20.4000115.2K81 I86 F166K81-N168 PolarHBondContact NZ-OD1 3.5Å; I86-N168 HydrophobicContact CG2-CB 4.1Å; F166-N168 VanDerWaalsContact C-N 3.27Å; F166-N168 PolarHBondContact O-N 2.71Å
169Q93.6Very high94.6Very high138 Ų13851.8 Ų51.865%0.64525%0.251SS*.EExtended strand (participates in β ladder)trans-109.4143.6172.2-61.6-171.7-5.100110.1T165 F166 N167 V171T165-Q169 CarbonylContact C-O 3.57Å; T165-Q169 WeakPolarHBondContact CA-O 3.47Å; T165-Q169 WeakPolarHBondContact CB-O 3.41Å; F166-Q169 PolarHBondContact N-O 3.28Å; F166-Q169 PolarHBondContact O-N 2.72Å; N167-Q169 PolarHBondContact O-N 3.28Å; Q169-V171 PolarHBondContact O-N 2.91Å
170L95.3Very high94.4Very high29 Ų2952 Ų5215%0.15225%0.252CS..EExtended strand (participates in β ladder)trans-59.8132.2173.1-61.4175.8000109.7I86 V163 T165 K174 F181 A184I86-L170 HydrophobicContact CD1-CD2 4.05Å; V163-L170 HydrophobicContact CB-CD2 4.06Å; V163-L170 HydrophobicContact CG2-CD2 3.44Å; V163-L170 VanDerWaalsContact CG2-CD2 3.44Å; T165-L170 HydrophobicContact CG2-CD2 4.4Å; L170-K174 HydrophobicContact CB-CB 4.24Å; L170-K174 HydrophobicContact CD1-CB 3.82Å; L170-F181 HydrophobicContact CD1-CD1 4.24Å; L170-F181 HydrophobicContact CD1-CE1 4.18Å; L170-A184 HydrophobicContact CD1-CB 4.16Å
171V93.6Very high94.4Very high15 Ų1552.2 Ų52.29%0.09125%0.253CS..SBendtrans-82.3-36.1179.4177.70000111.4I78 G105 D106 P164 F166 Q169I78-V171 HydrophobicContact CD1-CG1 4.34Å; I78-V171 HydrophobicContact CD1-CG2 4.47Å; I78-V171 HydrophobicContact CG1-CG2 4.38Å; G105-V171 WeakPolarHBondContact CA-O 3.38Å; D106-V171 HydrophobicContact CB-CG1 4.27Å; D106-V171 PolarHBondContact N-O 2.96Å; P164-V171 PolarHBondContact O-N 3.22Å; P164-V171 VanDerWaalsContact O-N 3.16Å; F166-V171 HydrophobicContact CB-CG2 3.78Å; Q169-V171 PolarHBondContact O-N 2.91Å
172F95Very high94.3Very high7 Ų752.2 Ų52.23%0.03125%0.253CS..SBendtrans-102.2-141.7-177.2-55.4-49.9000110.6L63 L68 G105 L107 P164 K174 E187 Y197L63-F172 HydrophobicContact CD2-CE2 3.93Å; L63-F172 HydrophobicContact CD2-CZ 4.24Å; L68-F172 HydrophobicContact CD1-CE1 4.24Å; L68-F172 HydrophobicContact CD1-CZ 4.04Å; G105-F172 WeakPolarHBondContact CA-O 3.19Å; L107-F172 HydrophobicContact CB-CD1 3.63Å; L107-F172 HydrophobicContact CB-CE1 3.93Å; L107-F172 HydrophobicContact CD2-CD1 4.33Å; L107-F172 HydrophobicContact CD2-CE1 4.43Å; P164-F172 HydrophobicContact CB-CD2 4.11Å; P164-F172 HydrophobicContact CB-CE2 3.91Å; P164-F172 HydrophobicContact CG-CD2 3.93Å; P164-F172 HydrophobicContact CG-CE2 3.73Å; F172-K174 PolarHBondContact O-N 3.01Å; F172-E187 WeakPolarHBondContact CB-OE2 3.13Å; F172-Y197 HydrophobicContact CB-CE1 4.38Å; F172-Y197 AromaticContact CD2-CD1 3.38Å; F172-Y197 HydrophobicContact CD2-CD1 3.38Å; F172-Y197 HydrophobicContact CD2-CD2 4.3Å; F172-Y197 AromaticContact CD2-CE1 3.32Å; F172-Y197 HydrophobicContact CD2-CE1 3.32Å; F172-Y197 HydrophobicContact CD2-CE2 4.25Å; F172-Y197 AromaticContact CD2-CG 3.88Å; F172-Y197 HydrophobicContact CD2-CG 3.88Å; F172-Y197 AromaticContact CD2-CZ 3.77Å; F172-Y197 AromaticContact CE2-CD1 3.46Å; F172-Y197 HydrophobicContact CE2-CD1 3.46Å; F172-Y197 VanDerWaalsContact CE2-CD1 3.46Å; F172-Y197 AromaticContact CE2-CD2 3.77Å; F172-Y197 HydrophobicContact CE2-CD2 3.77Å; F172-Y197 AromaticContact CE2-CE1 3.79Å; F172-Y197 HydrophobicContact CE2-CE1 3.79Å; F172-Y197 HydrophobicContact CE2-CE2 4.08Å; F172-Y197 AromaticContact CE2-CG 3.43Å; F172-Y197 HydrophobicContact CE2-CG 3.43Å; F172-Y197 VanDerWaalsContact CE2-CG 3.43Å; F172-Y197 HydrophobicContact CG-CD1 4.05Å; F172-Y197 HydrophobicContact CG-CE1 4.09Å; F172-Y197 HydrophobicContact CZ-CD1 4.21Å; F172-Y197 HydrophobicContact CZ-CG 4.06Å
173T93.8Very high94.2Very high2 Ų250.5 Ų50.51%0.01225%0.247CC..  trans-56.5139.9-176.9-68.40000112.4L113 A184 E187L113-T173 WeakPolarHBondContact CD1-OG1 3.38Å; L113-T173 HydrophobicContact CD2-CG2 4.25Å; L113-T173 WeakPolarHBondContact CD2-OG1 3.29Å; T173-A184 WeakPolarHBondContact O-CB 3.46Å; T173-E187 WeakPolarHBondContact CB-OE1 3.2Å; T173-E187 PolarHBondContact N-OE1 3.48Å; T173-E187 PolarHBondContact N-OE2 2.87Å; T173-E187 VanDerWaalsContact N-OE2 3.12Å; T173-E187 PolarHBondContact OG1-OE1 3.05Å
174K93.1Very high94.1Very high87 Ų8750.6 Ų50.638%0.37825%0.248SC..BIsolated β-bridgetrans-145.5157.9177.463.5-169.1174.8-166.90111.2D101 C103 L170 F172D101-K174 CarbonylContact O-C 3.47Å; C103-K174 HydrophobicContact CB-CG 4.06Å; C103-K174 WeakPolarHBondContact CB-O 3.39Å; C103-K174 PolarHBondContact N-O 3.45Å; C103-K174 PolarHBondContact O-N 2.7Å; C103-K174 VanDerWaalsContact O-N 3.12Å; L170-K174 HydrophobicContact CB-CB 4.24Å; L170-K174 HydrophobicContact CD1-CB 3.82Å; F172-K174 PolarHBondContact O-N 3.01Å
175S92.3Very high94.2Very high12 Ų1250.4 Ų50.48%0.08425%0.247CC..  trans-86.1154.7170.6178.40000111.6D101 E177 E180D101-S175 WeakPolarHBondContact CA-OG 3.22Å; D101-S175 VanDerWaalsContact O-CA 3.24Å; D101-S175 WeakPolarHBondContact O-CA 3.33Å; S175-E177 WeakPolarHBondContact CB-O 3.38Å; S175-E177 PolarHBondContact O-N 2.85Å; S175-E177 PolarHBondContact OG-N 3.39Å; S175-E180 WeakPolarHBondContact CB-OE2 3.5Å; S175-E180 PolarHBondContact OG-OE2 3.47Å
176A87.7Confident94.3Very high67 Ų6750.4 Ų50.455%0.55425%0.246SC*.SBendtrans-60.8-32.6164.500000111T100T100-A176 PolarHBondContact O-N 2.98Å
177E90.4Very high94.4Very high109 Ų10946.1 Ų46.151%0.50923%0.228SC..SBendtrans-81.9115.4171.1-68-60.3158.400110.5S175 N179 E180S175-E177 WeakPolarHBondContact CB-O 3.38Å; S175-E177 PolarHBondContact O-N 2.85Å; S175-E177 PolarHBondContact OG-N 3.39Å; E177-N179 PolarHBondContact O-N 3.32Å; E177-E180 HydrophobicContact CB-CB 4.14Å; E177-E180 PolarHBondContact O-N 3.32Å
178R89.6Confident94.7Very high232 Ų23240.1 Ų40.188%0.87520%0.195SC*.THydrogen-bonded Turntrans-65.3-18.1-170-68.2-174.4179.2-175.40.8114.8
179N94.1Very high94.9Very high38 Ų3835.9 Ų35.920%0.20317%0.173CC..THydrogen-bonded Turntrans-105.49-177.873.5-42.8000113.5N89 Q91 E177 F181N89-N179 WeakPolarHBondContact O-CB 3.21Å; N89-N179 PolarHBondContact O-ND2 3.01Å; N89-N179 VanDerWaalsContact O-ND2 3.15Å; Q91-N179 PolarHBondContact N-O 2.91Å; E177-N179 PolarHBondContact O-N 3.32Å; N179-F181 VanDerWaalsContact C-CE2 3.46Å; N179-F181 WeakPolarHBondContact O-CD2 3.37Å; N179-F181 WeakPolarHBondContact O-CE2 3.41Å
180E95.7Very high95.1Very high3 Ų329.3 Ų29.31%0.01414%0.142CC..BIsolated β-bridgetrans-104.5137177.9-174.2179.4-130.700112Q91 F92 I93 V94 D101 S175 E177Q91-E180 WeakPolarHBondContact O-CA 3.49Å; F92-E180 WeakPolarHBondContact O-CG 3.1Å; I93-E180 WeakPolarHBondContact CA-OE1 2.95Å; V94-E180 HydrophobicContact CB-CB 4.48Å; V94-E180 HydrophobicContact CG2-CB 3.95Å; V94-E180 HydrophobicContact CG2-CG 4.29Å; V94-E180 PolarHBondContact N-OE1 2.96Å; D101-E180 VanDerWaalsContact CB-OE2 3.26Å; D101-E180 WeakPolarHBondContact CB-OE2 3.41Å; S175-E180 WeakPolarHBondContact CB-OE2 3.5Å; S175-E180 PolarHBondContact OG-OE2 3.47Å; E177-E180 HydrophobicContact CB-CB 4.14Å; E177-E180 PolarHBondContact O-N 3.32Å
181F97.3Very high95.1Very high5 Ų528 Ų282%0.02214%0.135CC..  trans-134.2-3.1-167.5-65.2-87.1000116.5P83 I86 P90 Q91 F92 F136 L170 N179 S183 A184 L185P83-F181 HydrophobicContact CB-CD1 3.97Å; P83-F181 HydrophobicContact CB-CD2 3.83Å; P83-F181 HydrophobicContact CB-CE1 3.98Å; P83-F181 HydrophobicContact CB-CE2 3.84Å; P83-F181 HydrophobicContact CB-CG 3.9Å; P83-F181 HydrophobicContact CB-CZ 3.92Å; P83-F181 HydrophobicContact CG-CB 4.27Å; P83-F181 HydrophobicContact CG-CD1 3.75Å; P83-F181 HydrophobicContact CG-CD2 4.28Å; P83-F181 HydrophobicContact CG-CE1 4.14Å; P83-F181 HydrophobicContact CG-CG 3.83Å; I86-F181 HydrophobicContact CD1-CE1 4.03Å; I86-F181 HydrophobicContact CD1-CZ 4.49Å; I86-F181 HydrophobicContact CG1-CE1 4.43Å; I86-F181 HydrophobicContact CG1-CZ 4.43Å; P90-F181 HydrophobicContact CB-CD2 3.94Å; P90-F181 HydrophobicContact CB-CE2 3.67Å; Q91-F181 PolarHBondContact O-N 3.37Å; F92-F181 PolarHBondContact O-N 3.32Å; F136-F181 HydrophobicContact CE2-CB 4Å; F136-F181 HydrophobicContact CE2-CD2 4.28Å; F136-F181 HydrophobicContact CZ-CB 3.97Å; F136-F181 HydrophobicContact CZ-CG 4.44Å; L170-F181 HydrophobicContact CD1-CD1 4.24Å; L170-F181 HydrophobicContact CD1-CE1 4.18Å; N179-F181 VanDerWaalsContact C-CE2 3.46Å; N179-F181 WeakPolarHBondContact O-CD2 3.37Å; N179-F181 WeakPolarHBondContact O-CE2 3.41Å; F181-S183 VanDerWaalsContact C-N 3.28Å; F181-S183 PolarHBondContact O-N 3.06Å; F181-A184 PolarHBondContact O-N 3.42Å; F181-L185 WeakPolarHBondContact O-CG 3.32Å; F181-L185 PolarHBondContact O-N 3.1Å; F181-L185 VanDerWaalsContact O-N 3.1Å
182W96.9Very high95.3Very high0 Ų027.5 Ų27.50%013%0.132CC..Hα-helixtrans-57.1-39.5-176.972.1-89.2000113F92 I93 A97 D101 I102 I116 T120 L126 V130 L185 L186F92-W182 HydrophobicContact CD1-CB 4.3Å; F92-W182 HydrophobicContact CD2-CB 4.05Å; F92-W182 HydrophobicContact CE1-CB 4.08Å; F92-W182 HydrophobicContact CE2-CB 3.83Å; F92-W182 HydrophobicContact CG-CB 4.28Å; F92-W182 HydrophobicContact CZ-CB 3.84Å; F92-W182 VanDerWaalsContact O-CB 3.25Å; F92-W182 WeakPolarHBondContact O-CB 3.37Å; F92-W182 PolarHBondContact O-N 3.28Å; I93-W182 HydrophobicContact CD1-CG 4.5Å; I93-W182 HydrophobicContact CG1-CB 3.85Å; I93-W182 HydrophobicContact CG1-CG 3.73Å; A97-W182 HydrophobicContact CB-CH2 4.45Å; A97-W182 HydrophobicContact CB-CZ2 3.81Å; D101-W182 HydrophobicContact CB-CZ2 4.01Å; D101-W182 PolarHBondContact OD2-NE1 3.33Å; I102-W182 HydrophobicContact CD1-CH2 3.75Å; I102-W182 HydrophobicContact CD1-CZ2 3.85Å; I102-W182 HydrophobicContact CD1-CZ3 4.48Å; I116-W182 HydrophobicContact CG2-CH2 3.64Å; I116-W182 HydrophobicContact CG2-CZ3 3.81Å; T120-W182 HydrophobicContact CG2-CH2 3.81Å; T120-W182 HydrophobicContact CG2-CZ2 4.02Å; L126-W182 HydrophobicContact CD1-CH2 4.06Å; L126-W182 HydrophobicContact CD1-CZ3 3.95Å; V130-W182 HydrophobicContact CG1-CE3 4.38Å; V130-W182 HydrophobicContact CG2-CE3 4.03Å; V130-W182 HydrophobicContact CG2-CZ3 4.12Å; W182-L185 PolarHBondContact O-N 2.93Å; W182-L186 HydrophobicContact CE3-CD2 4.28Å; W182-L186 HydrophobicContact CZ3-CD2 3.78Å; W182-L186 WeakPolarHBondContact O-CB 3.29Å; W182-L186 PolarHBondContact O-N 2.91Å
183S96.2Very high95.2Very high0 Ų027.9 Ų27.90%013%0.134CC..Hα-helixtrans-69.1-40.7-177.158.50000112.6D101 F181 L185 L186 E187D101-S183 WeakPolarHBondContact O-CB 3.06Å; D101-S183 PolarHBondContact O-OG 2.9Å; F181-S183 VanDerWaalsContact C-N 3.28Å; F181-S183 PolarHBondContact O-N 3.06Å; S183-L185 VanDerWaalsContact C-N 3.34Å; S183-L186 PolarHBondContact O-N 3.23Å; S183-E187 PolarHBondContact O-N 3.41Å
184A97.4Very high95.1Very high4 Ų428.1 Ų28.13%0.03314%0.135CC..Hα-helixtrans-64.5-38.617400000112L170 T173 F181 K188L170-A184 HydrophobicContact CD1-CB 4.16Å; T173-A184 WeakPolarHBondContact O-CB 3.46Å; F181-A184 PolarHBondContact O-N 3.42Å; A184-K188 PolarHBondContact O-N 2.82Å; A184-K188 VanDerWaalsContact O-N 3.08Å
185L98.4Very high95.1Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-72.4-36.8177-68.8178.2000112.1F92 F136 F144 F146 I159 D161 V163 F181 W182 S183 K188 A189F92-L185 HydrophobicContact CD2-CD1 4.18Å; F92-L185 HydrophobicContact CE2-CD1 4.01Å; F136-L185 HydrophobicContact CZ-CD1 3.97Å; F144-L185 HydrophobicContact CB-CD1 4.48Å; F144-L185 HydrophobicContact CD1-CD1 4.02Å; F144-L185 HydrophobicContact CD2-CD1 3.88Å; F144-L185 HydrophobicContact CE1-CD1 4.23Å; F144-L185 HydrophobicContact CE2-CD1 4.11Å; F144-L185 HydrophobicContact CG-CD1 3.86Å; F144-L185 HydrophobicContact CZ-CD1 4.28Å; F146-L185 HydrophobicContact CE2-CB 3.87Å; F146-L185 WeakPolarHBondContact CE2-O 3.4Å; F146-L185 HydrophobicContact CZ-CB 3.64Å; I159-L185 HydrophobicContact CD1-CB 4.07Å; I159-L185 HydrophobicContact CD1-CD2 4.03Å; I159-L185 WeakPolarHBondContact CD1-O 3.49Å; D161-L185 HydrophobicContact CB-CD2 4.02Å; V163-L185 HydrophobicContact CG1-CD2 3.96Å; F181-L185 WeakPolarHBondContact O-CG 3.32Å; F181-L185 PolarHBondContact O-N 3.1Å; F181-L185 VanDerWaalsContact O-N 3.1Å; W182-L185 PolarHBondContact O-N 2.93Å; S183-L185 VanDerWaalsContact C-N 3.34Å; L185-K188 WeakPolarHBondContact O-CB 3.28Å; L185-K188 PolarHBondContact O-N 2.88Å; L185-A189 PolarHBondContact O-N 3.06Å
186L98.3Very high95.2Very high1 Ų125.6 Ų25.61%0.00514%0.135CC..Hα-helixtrans-62-47.2173.9177.764.7000111.1I116 V129 V130 F146 F148 W182 S183 K188 A189 Y190I116-L186 HydrophobicContact CD1-CD2 3.89Å; I116-L186 HydrophobicContact CD1-CG 4.37Å; I116-L186 HydrophobicContact CG1-CD2 3.91Å; I116-L186 HydrophobicContact CG2-CD2 3.89Å; V129-L186 HydrophobicContact CG1-CD1 3.64Å; V130-L186 HydrophobicContact CG2-CD1 4.28Å; V130-L186 HydrophobicContact CG2-CD2 4.17Å; F146-L186 HydrophobicContact CB-CD1 4.15Å; F146-L186 HydrophobicContact CD1-CB 4.1Å; F146-L186 HydrophobicContact CD1-CD1 3.43Å; F146-L186 VanDerWaalsContact CD1-CD1 3.43Å; F146-L186 HydrophobicContact CD1-CG 4.37Å; F146-L186 HydrophobicContact CE1-CB 3.77Å; F146-L186 HydrophobicContact CE1-CD1 4Å; F146-L186 HydrophobicContact CE1-CG 4.49Å; F146-L186 HydrophobicContact CG-CD1 3.91Å; F146-L186 HydrophobicContact CZ-CB 4.22Å; F148-L186 HydrophobicContact CE1-CD1 3.63Å; F148-L186 HydrophobicContact CZ-CD1 3.68Å; W182-L186 HydrophobicContact CE3-CD2 4.28Å; W182-L186 HydrophobicContact CZ3-CD2 3.78Å; W182-L186 WeakPolarHBondContact O-CB 3.29Å; W182-L186 PolarHBondContact O-N 2.91Å; S183-L186 PolarHBondContact O-N 3.23Å; L186-K188 VanDerWaalsContact C-N 3.3Å; L186-K188 PolarHBondContact O-N 3.09Å; L186-A189 PolarHBondContact O-N 3.01Å; L186-Y190 WeakPolarHBondContact O-CB 3.41Å; L186-Y190 PolarHBondContact O-N 3.24Å
187E98.1Very high95.6Very high3 Ų322.5 Ų22.51%0.01411%0.109CC..Hα-helixtrans-58.2-42.5174.3-176.5-166.3-120.800111.1L112 F172 T173 S183 Y190 A191 Y197 L200L112-E187 HydrophobicContact CD2-CG 4.37Å; F172-E187 WeakPolarHBondContact CB-OE2 3.13Å; T173-E187 WeakPolarHBondContact CB-OE1 3.2Å; T173-E187 PolarHBondContact N-OE1 3.48Å; T173-E187 PolarHBondContact N-OE2 2.87Å; T173-E187 VanDerWaalsContact N-OE2 3.12Å; T173-E187 PolarHBondContact OG1-OE1 3.05Å; S183-E187 PolarHBondContact O-N 3.41Å; E187-Y190 PolarHBondContact O-N 2.89Å; E187-A191 WeakPolarHBondContact O-CB 3.43Å; E187-A191 PolarHBondContact O-N 3.11Å; E187-Y197 HydrophobicContact CG-CD1 4.49Å; E187-Y197 HydrophobicContact CG-CE1 4.02Å; E187-L200 HydrophobicContact CG-CD1 4.35Å
188K98.4Very high95.7Very high1 Ų118 Ų180%0.0049%0.088CC..Hα-helixtrans-60.7-46.2175-174.8176167.7-171.90112.6F56 W80 I159 D160 R162 A184 L185 L186 Y190 A191 K192 Y197F56-K188 HydrophobicContact CD1-CG 4.41Å; F56-K188 HydrophobicContact CE1-CG 4.07Å; W80-K188 HydrophobicContact CZ3-CD 4.46Å; I159-K188 HydrophobicContact CD1-CB 4.01Å; I159-K188 HydrophobicContact CD1-CD 4.05Å; I159-K188 HydrophobicContact CD1-CG 4.15Å; D160-K188 PolarHBondContact O-NZ 2.88Å; D160-K188 IonicContact OD1-NZ 3.33Å; D160-K188 PolarHBondContact OD1-NZ 3.46Å; R162-K188 WeakPolarHBondContact O-CD 3.49Å; R162-K188 WeakPolarHBondContact O-CE 3.49Å; R162-K188 PolarHBondContact O-NZ 3.27Å; A184-K188 PolarHBondContact O-N 2.82Å; A184-K188 VanDerWaalsContact O-N 3.08Å; L185-K188 WeakPolarHBondContact O-CB 3.28Å; L185-K188 PolarHBondContact O-N 2.88Å; L186-K188 VanDerWaalsContact C-N 3.3Å; L186-K188 PolarHBondContact O-N 3.09Å; K188-Y190 VanDerWaalsContact C-N 3.28Å; K188-Y190 PolarHBondContact O-N 2.83Å; K188-A191 WeakPolarHBondContact O-CB 3.34Å; K188-A191 PolarHBondContact O-N 3.42Å; K188-K192 PolarHBondContact O-N 2.7Å; K188-Y197 WeakPolarHBondContact CA-OH 3.26Å; K188-Y197 WeakPolarHBondContact CB-OH 3.42Å; K188-Y197 HydrophobicContact CG-CE2 4.44Å
189A98.4Very high95.7Very high0 Ų07.1 Ų7.10%05%0.047CC..Hα-helixtrans-63.3-38.6178.600000111.3F146 F148 V157 I159 L185 L186 K192 L193F146-A189 HydrophobicContact CB-CB 4.06Å; F146-A189 HydrophobicContact CD2-CB 3.39Å; F146-A189 HydrophobicContact CE2-CB 4.16Å; F146-A189 HydrophobicContact CG-CB 3.98Å; F148-A189 HydrophobicContact CE2-CB 3.87Å; F148-A189 HydrophobicContact CZ-CB 3.98Å; V157-A189 HydrophobicContact CG1-CB 4.14Å; I159-A189 HydrophobicContact CD1-CB 4.21Å; I159-A189 HydrophobicContact CG2-CB 3.95Å; L185-A189 PolarHBondContact O-N 3.06Å; L186-A189 PolarHBondContact O-N 3.01Å; A189-K192 WeakPolarHBondContact O-CB 3.17Å; A189-K192 PolarHBondContact O-N 3.16Å; A189-L193 PolarHBondContact O-N 3.23Å
190Y97.1Very high95.6Very high1 Ų15.3 Ų5.30%0.0044%0.038CC..Hα-helixtrans-67.9-39.1174.4-159.7-105000112.2W111 L112 F148 L186 E187 K188 K192 L193 H194 L200 D211 F212W111-Y190 AromaticContact CH2-CE1 3.72Å; W111-Y190 HydrophobicContact CH2-CE1 3.72Å; W111-Y190 HydrophobicContact CZ2-CE1 4.37Å; W111-Y190 HydrophobicContact CZ3-CE1 4.42Å; L112-Y190 HydrophobicContact CD1-CD1 3.64Å; L112-Y190 HydrophobicContact CD1-CE1 3.68Å; L112-Y190 HydrophobicContact CD1-CG 4.1Å; L112-Y190 HydrophobicContact CD2-CD1 3.6Å; L112-Y190 HydrophobicContact CD2-CE1 4.22Å; L112-Y190 HydrophobicContact CD2-CG 4.29Å; L112-Y190 HydrophobicContact CG-CD1 4.27Å; F148-Y190 AromaticContact CD1-CD2 3.78Å; F148-Y190 HydrophobicContact CD1-CD2 3.78Å; F148-Y190 HydrophobicContact CD1-CE2 4.28Å; F148-Y190 AromaticContact CE1-CD2 3.65Å; F148-Y190 HydrophobicContact CE1-CD2 3.65Å; F148-Y190 HydrophobicContact CE1-CG 4.44Å; F148-Y190 HydrophobicContact CG-CD2 4.32Å; F148-Y190 HydrophobicContact CZ-CD2 4.07Å; L186-Y190 WeakPolarHBondContact O-CB 3.41Å; L186-Y190 PolarHBondContact O-N 3.24Å; E187-Y190 PolarHBondContact O-N 2.89Å; K188-Y190 VanDerWaalsContact C-N 3.28Å; K188-Y190 PolarHBondContact O-N 2.83Å; Y190-K192 PolarHBondContact O-N 3.13Å; Y190-L193 HydrophobicContact CD2-CD2 4.41Å; Y190-L193 WeakPolarHBondContact O-CB 3.1Å; Y190-L193 PolarHBondContact O-N 2.94Å; Y190-H194 AromaticContact CD1-CD2 3.75Å; Y190-H194 AromaticContact CE1-CD2 3.45Å; Y190-H194 VanDerWaalsContact CE1-CD2 3.45Å; Y190-H194 WeakPolarHBondContact CE1-CD2 3.46Å; Y190-H194 AromaticContact CE1-NE2 3.41Å; Y190-H194 WeakPolarHBondContact CE1-NE2 3.28Å; Y190-H194 AromaticContact CE2-NE2 3.65Å; Y190-H194 AromaticContact CZ-CD2 3.66Å; Y190-H194 AromaticContact CZ-NE2 3.14Å; Y190-H194 PolarHBondContact O-CD2 3.17Å; Y190-H194 VanDerWaalsContact O-CD2 3.27Å; Y190-H194 PolarHBondContact O-N 2.96Å; Y190-H194 VanDerWaalsContact O-N 3.15Å; Y190-H194 PolarHBondContact OH-NE2 3.15Å; Y190-H194 VanDerWaalsContact OH-NE2 3.12Å; Y190-L200 HydrophobicContact CD1-CD1 4.16Å; Y190-L200 HydrophobicContact CD1-CD2 3.44Å; Y190-L200 VanDerWaalsContact CD1-CD2 3.44Å; Y190-L200 HydrophobicContact CD1-CG 4.43Å; Y190-L200 HydrophobicContact CE1-CD2 3.77Å; Y190-D211 HydrophobicContact CE2-CB 3.87Å; Y190-D211 WeakPolarHBondContact CE2-OD2 3.41Å; Y190-D211 PolarHBondContact OH-OD2 3.39Å; Y190-F212 HydrophobicContact CD2-CE1 4.42Å
191A96.3Very high95.3Very high0 Ų08.6 Ų8.60%05%0.052CC..Hα-helixtrans-60.7-43.6172.500000111.6F56 E187 K188 H194 G195 S196 Y197 L200F56-A191 HydrophobicContact CZ-CB 4.1Å; E187-A191 WeakPolarHBondContact O-CB 3.43Å; E187-A191 PolarHBondContact O-N 3.11Å; K188-A191 WeakPolarHBondContact O-CB 3.34Å; K188-A191 PolarHBondContact O-N 3.42Å; A191-H194 CarbonylContact O-C 3.55Å; A191-H194 PolarHBondContact O-N 3.41Å; A191-G195 CarbonylContact O-C 3.56Å; A191-G195 PolarHBondContact O-N 3.39Å; A191-S196 PolarHBondContact O-N 2.89Å; A191-Y197 HydrophobicContact CB-CD1 3.9Å; A191-Y197 HydrophobicContact CB-CD2 4.04Å; A191-Y197 HydrophobicContact CB-CE1 4.15Å; A191-Y197 HydrophobicContact CB-CE2 4.28Å; A191-Y197 HydrophobicContact CB-CG 3.86Å; A191-L200 HydrophobicContact CB-CD1 3.81Å; A191-L200 HydrophobicContact CB-CG 4.33Å
192K96.6Very high94.6Very high6 Ų69.9 Ų9.93%0.0267%0.067CC..Hα-helixtrans-59.3-45.9174.2172.9174.1-177.2178.80111.9F32 D53 F56 V157 V158 I159 K188 A189 Y190 H194 G195F32-K192 HydrophobicContact CD1-CD 4.48Å; F32-K192 HydrophobicContact CD1-CG 4.41Å; F32-K192 HydrophobicContact CE1-CD 4.31Å; F32-K192 HydrophobicContact CE1-CG 3.82Å; D53-K192 IonicContact OD1-NZ 3.87Å; D53-K192 PolarHBondContact OD1-NZ 3.5Å; D53-K192 WeakPolarHBondContact OD2-CD 3.48Å; D53-K192 WeakPolarHBondContact OD2-CE 3.31Å; D53-K192 IonicContact OD2-NZ 3.47Å; D53-K192 PolarHBondContact OD2-NZ 3.32Å; F56-K192 HydrophobicContact CB-CB 4.12Å; F56-K192 HydrophobicContact CB-CD 3.62Å; F56-K192 HydrophobicContact CB-CG 3.74Å; F56-K192 HydrophobicContact CD1-CB 4.02Å; F56-K192 HydrophobicContact CD2-CB 3.76Å; F56-K192 HydrophobicContact CD2-CG 3.97Å; F56-K192 HydrophobicContact CE1-CB 4.34Å; F56-K192 HydrophobicContact CE2-CB 4.12Å; F56-K192 HydrophobicContact CG-CB 3.7Å; F56-K192 HydrophobicContact CG-CD 4.17Å; F56-K192 HydrophobicContact CG-CG 3.86Å; F56-K192 HydrophobicContact CZ-CB 4.38Å; V157-K192 HydrophobicContact CG1-CD 3.97Å; V157-K192 HydrophobicContact CG1-CG 4.27Å; V158-K192 PolarHBondContact O-NZ 3.36Å; I159-K192 HydrophobicContact CG2-CB 4.44Å; I159-K192 HydrophobicContact CG2-CD 3.79Å; K188-K192 PolarHBondContact O-N 2.7Å; A189-K192 WeakPolarHBondContact O-CB 3.17Å; A189-K192 PolarHBondContact O-N 3.16Å; Y190-K192 PolarHBondContact O-N 3.13Å; K192-H194 PolarHBondContact O-N 2.91Å; K192-G195 PolarHBondContact O-N 3.28Å; K192-G195 VanDerWaalsContact O-N 3.08Å
193L94Very high94Very high15 Ų1511.1 Ų11.18%0.0798%0.08CC..Hα-helixtrans-58.6-37179-175.260.7000112.3F32 F148 R150 V157 A189 Y190F32-L193 HydrophobicContact CD2-CD1 3.83Å; F32-L193 HydrophobicContact CE2-CD1 3.67Å; F32-L193 HydrophobicContact CZ-CD1 4.29Å; F148-L193 HydrophobicContact CB-CD2 3.79Å; F148-L193 HydrophobicContact CD2-CD2 3.74Å; F148-L193 HydrophobicContact CG-CD2 3.87Å; R150-L193 HydrophobicContact CG-CD1 4.36Å; R150-L193 HydrophobicContact CG-CD2 3.96Å; V157-L193 HydrophobicContact CG2-CD1 4.08Å; A189-L193 PolarHBondContact O-N 3.23Å; Y190-L193 HydrophobicContact CD2-CD2 4.41Å; Y190-L193 WeakPolarHBondContact O-CB 3.1Å; Y190-L193 PolarHBondContact O-N 2.94Å
194H91.3Very high93.5Very high6 Ų613.6 Ų13.63%0.0289%0.093CC..Hα-helixtrans-93-4.6177.5-69.3-70.9000114.3R150 Y190 A191 K192 A199 L200 D211 R426R150-H194 PolarHBondContact NH1-CE1 3.11Å; Y190-H194 AromaticContact CD1-CD2 3.75Å; Y190-H194 AromaticContact CE1-CD2 3.45Å; Y190-H194 VanDerWaalsContact CE1-CD2 3.45Å; Y190-H194 WeakPolarHBondContact CE1-CD2 3.46Å; Y190-H194 AromaticContact CE1-NE2 3.41Å; Y190-H194 WeakPolarHBondContact CE1-NE2 3.28Å; Y190-H194 AromaticContact CE2-NE2 3.65Å; Y190-H194 AromaticContact CZ-CD2 3.66Å; Y190-H194 AromaticContact CZ-NE2 3.14Å; Y190-H194 PolarHBondContact O-CD2 3.17Å; Y190-H194 VanDerWaalsContact O-CD2 3.27Å; Y190-H194 PolarHBondContact O-N 2.96Å; Y190-H194 VanDerWaalsContact O-N 3.15Å; Y190-H194 PolarHBondContact OH-NE2 3.15Å; Y190-H194 VanDerWaalsContact OH-NE2 3.12Å; A191-H194 CarbonylContact O-C 3.55Å; A191-H194 PolarHBondContact O-N 3.41Å; K192-H194 PolarHBondContact O-N 2.91Å; H194-A199 HydrophobicContact CB-CB 4.1Å; H194-L200 HydrophobicContact CB-CD2 4.03Å; H194-D211 IonicContact NE2-OD2 2.81Å; H194-R426 HydrophobicContact CB-CG 4.48Å; H194-R426 WeakPolarHBondContact ND1-CD 3.43Å
195G92.2Very high93.1Very high40 Ų4013.6 Ų13.641%0.4129%0.092SC..THydrogen-bonded Turntrans98.8-16.5171.500000116.6A191 K192A191-G195 CarbonylContact O-C 3.56Å; A191-G195 PolarHBondContact O-N 3.39Å; K192-G195 PolarHBondContact O-N 3.28Å; K192-G195 VanDerWaalsContact O-N 3.08Å
196S94.4Very high92.7Very high7 Ų714.6 Ų14.65%0.04910%0.098CC..SBendtrans-168.7162.717359.30000111S62 A191 E198 A199S62-S196 CarbonylContact O-C 3.58Å; S62-S196 VanDerWaalsContact O-CA 3.26Å; S62-S196 WeakPolarHBondContact O-CA 3.34Å; S62-S196 WeakPolarHBondContact O-CB 3.27Å; A191-S196 PolarHBondContact O-N 2.89Å; S196-E198 VanDerWaalsContact C-N 3.34Å; S196-E198 PolarHBondContact O-N 3.08Å; S196-A199 WeakPolarHBondContact O-CB 3.27Å; S196-A199 PolarHBondContact O-N 2.86Å; S196-A199 PolarHBondContact OG-N 3Å
197Y95.4Very high92.4Very high2 Ų214.9 Ų14.91%0.00810%0.1CC..SBendtrans-60-42171.6-81.1-87000112.1F56 S62 L63 W80 L107 P164 F172 E187 K188 A191 A199 L200F56-Y197 HydrophobicContact CE1-CE2 4.22Å; F56-Y197 HydrophobicContact CZ-CD2 4.32Å; F56-Y197 HydrophobicContact CZ-CE2 4.41Å; S62-Y197 PolarHBondContact O-N 2.93Å; L63-Y197 HydrophobicContact CD2-CD2 4.3Å; W80-Y197 HydrophobicContact CH2-CD2 4.48Å; W80-Y197 AromaticContact CH2-CE2 3.9Å; W80-Y197 HydrophobicContact CH2-CE2 3.9Å; W80-Y197 HydrophobicContact CZ3-CE2 4.43Å; L107-Y197 HydrophobicContact CD2-CD1 4.1Å; P164-Y197 HydrophobicContact CG-CE2 3.88Å; F172-Y197 HydrophobicContact CB-CE1 4.38Å; F172-Y197 AromaticContact CD2-CD1 3.38Å; F172-Y197 HydrophobicContact CD2-CD1 3.38Å; F172-Y197 HydrophobicContact CD2-CD2 4.3Å; F172-Y197 AromaticContact CD2-CE1 3.32Å; F172-Y197 HydrophobicContact CD2-CE1 3.32Å; F172-Y197 HydrophobicContact CD2-CE2 4.25Å; F172-Y197 AromaticContact CD2-CG 3.88Å; F172-Y197 HydrophobicContact CD2-CG 3.88Å; F172-Y197 AromaticContact CD2-CZ 3.77Å; F172-Y197 AromaticContact CE2-CD1 3.46Å; F172-Y197 HydrophobicContact CE2-CD1 3.46Å; F172-Y197 VanDerWaalsContact CE2-CD1 3.46Å; F172-Y197 AromaticContact CE2-CD2 3.77Å; F172-Y197 HydrophobicContact CE2-CD2 3.77Å; F172-Y197 AromaticContact CE2-CE1 3.79Å; F172-Y197 HydrophobicContact CE2-CE1 3.79Å; F172-Y197 HydrophobicContact CE2-CE2 4.08Å; F172-Y197 AromaticContact CE2-CG 3.43Å; F172-Y197 HydrophobicContact CE2-CG 3.43Å; F172-Y197 VanDerWaalsContact CE2-CG 3.43Å; F172-Y197 HydrophobicContact CG-CD1 4.05Å; F172-Y197 HydrophobicContact CG-CE1 4.09Å; F172-Y197 HydrophobicContact CZ-CD1 4.21Å; F172-Y197 HydrophobicContact CZ-CG 4.06Å; E187-Y197 HydrophobicContact CG-CD1 4.49Å; E187-Y197 HydrophobicContact CG-CE1 4.02Å; K188-Y197 WeakPolarHBondContact CA-OH 3.26Å; K188-Y197 WeakPolarHBondContact CB-OH 3.42Å; K188-Y197 HydrophobicContact CG-CE2 4.44Å; A191-Y197 HydrophobicContact CB-CD1 3.9Å; A191-Y197 HydrophobicContact CB-CD2 4.04Å; A191-Y197 HydrophobicContact CB-CE1 4.15Å; A191-Y197 HydrophobicContact CB-CE2 4.28Å; A191-Y197 HydrophobicContact CB-CG 3.86Å; Y197-A199 PolarHBondContact O-N 3.49Å; Y197-A199 VanDerWaalsContact O-N 3.16Å; Y197-L200 VanDerWaalsContact O-CB 3.3Å; Y197-L200 WeakPolarHBondContact O-CB 3.36Å; Y197-L200 PolarHBondContact O-N 2.76Å
198E93.4Very high92.1Very high14 Ų1414.8 Ų14.87%0.06510%0.099CC..G310 helixtrans-61.2-26.5178.2-171.6170.8-177.600113L63 G64 F65 K66 E67 L68 S196 L200 K201L63-E198 WeakPolarHBondContact O-CB 3.32Å; L63-E198 PolarHBondContact O-N 3.02Å; G64-E198 WeakPolarHBondContact CA-OE2 3.31Å; F65-E198 HydrophobicContact CE1-CB 4.3Å; F65-E198 HydrophobicContact CE1-CG 4.27Å; F65-E198 HydrophobicContact CZ-CG 4.37Å; F65-E198 PolarHBondContact N-OE2 3.05Å; K66-E198 WeakPolarHBondContact CB-OE1 3.4Å; K66-E198 PolarHBondContact N-OE2 3.04Å; E67-E198 WeakPolarHBondContact CB-OE1 3.38Å; E67-E198 PolarHBondContact N-OE1 3.25Å; E67-E198 PolarHBondContact N-OE2 2.92Å; L68-E198 HydrophobicContact CB-CB 4.23Å; L68-E198 HydrophobicContact CD1-CB 4.2Å; L68-E198 HydrophobicContact CG-CB 4.47Å; L68-E198 PolarHBondContact N-OE2 3.45Å; S196-E198 VanDerWaalsContact C-N 3.34Å; S196-E198 PolarHBondContact O-N 3.08Å; E198-L200 PolarHBondContact O-N 3.15Å; E198-K201 WeakPolarHBondContact O-CB 3.46Å; E198-K201 PolarHBondContact O-N 2.94Å; E198-K201 VanDerWaalsContact O-N 3.13Å
199A90.7Very high91.9Very high3 Ų314.7 Ų14.73%0.02510%0.099CC..G310 helixtrans-65.2-19.7174.700000112.9H194 S196 Y197 R426H194-A199 HydrophobicContact CB-CB 4.1Å; S196-A199 WeakPolarHBondContact O-CB 3.27Å; S196-A199 PolarHBondContact O-N 2.86Å; S196-A199 PolarHBondContact OG-N 3Å; Y197-A199 PolarHBondContact O-N 3.49Å; Y197-A199 VanDerWaalsContact O-N 3.16Å; A199-R426 WeakPolarHBondContact O-CD 3.34Å; A199-R426 WeakPolarHBondContact O-CG 3.03Å; A199-R426 PolarHBondContact O-NH1 2.88Å
200L91.3Very high91.6Very high0 Ų014.8 Ų14.80%010%0.099CC..G310 helixtrans-81.5-14.7176.4-52.6-174000113L107 D109 W111 L112 E187 Y190 A191 H194 Y197 E198 G202L107-L200 HydrophobicContact CD2-CB 4.28Å; D109-L200 HydrophobicContact CB-CB 4.09Å; W111-L200 PolarHBondContact NE1-O 3.1Å; L112-L200 HydrophobicContact CD2-CD1 3.9Å; E187-L200 HydrophobicContact CG-CD1 4.35Å; Y190-L200 HydrophobicContact CD1-CD1 4.16Å; Y190-L200 HydrophobicContact CD1-CD2 3.44Å; Y190-L200 VanDerWaalsContact CD1-CD2 3.44Å; Y190-L200 HydrophobicContact CD1-CG 4.43Å; Y190-L200 HydrophobicContact CE1-CD2 3.77Å; A191-L200 HydrophobicContact CB-CD1 3.81Å; A191-L200 HydrophobicContact CB-CG 4.33Å; H194-L200 HydrophobicContact CB-CD2 4.03Å; Y197-L200 VanDerWaalsContact O-CB 3.3Å; Y197-L200 WeakPolarHBondContact O-CB 3.36Å; Y197-L200 PolarHBondContact O-N 2.76Å; E198-L200 PolarHBondContact O-N 3.15Å; L200-G202 PolarHBondContact O-N 3.36Å
201K88.3Confident91.5Very high72 Ų7214.8 Ų14.831%0.31310%0.099SC..SBendtrans-62.4122179.3-171.2179.7179.7-179.10110.9E67 L107 E198 R429E67-K201 IonicContact OE1-NZ 3.23Å; E67-K201 PolarHBondContact OE1-NZ 3.38Å; E67-K201 IonicContact OE2-NZ 2.89Å; E67-K201 PolarHBondContact OE2-NZ 2.96Å; L107-K201 HydrophobicContact CD1-CB 4.38Å; E198-K201 WeakPolarHBondContact O-CB 3.46Å; E198-K201 PolarHBondContact O-N 2.94Å; E198-K201 VanDerWaalsContact O-N 3.13Å; K201-R429 PolarHBondContact O-NH1 2.78Å
202G83.1Confident91.3Very high33 Ų3314.8 Ų14.834%0.3410%0.099SC..SBendtrans68.7116.8179.500000113.9G108 L200 R426 R429G108-G202 PolarHBondContact O-N 2.57Å; L200-G202 PolarHBondContact O-N 3.36Å; G202-R426 PolarHBondContact O-NH1 2.84Å; G202-R426 PolarHBondContact O-NH2 2.97Å; G202-R429 PolarHBondContact O-NH1 2.93Å; G202-R429 PolarHBondContact O-NH2 2.88Å
203G84Confident91Very high26 Ų2614.6 Ų14.627%0.26810%0.099SC..  trans-169.1177.2177.800000110.7W111 R426W111-G203 VanDerWaalsContact CB-O 3.31Å; W111-G203 WeakPolarHBondContact CB-O 3.25Å; W111-G203 VanDerWaalsContact CD1-N 3.33Å; W111-G203 VanDerWaalsContact CG-C 3.48Å; G203-R426 VanDerWaalsContact CA-NH2 3.3Å
204N85.6Confident90.8Very high52 Ų5214.2 Ų14.228%0.27810%0.098SC..  trans-102.9144.9173.7-57.5-76.7000110.2T206 E207N204-T206 PolarHBondContact O-N 2.84Å; N204-T206 VanDerWaalsContact O-N 3.16Å; N204-E207 HydrophobicContact CB-CG 4.32Å; N204-E207 PolarHBondContact N-OE1 3.02Å; N204-E207 VanDerWaalsContact N-OE1 3.08Å; N204-E207 PolarHBondContact ND2-OE1 3.26Å; N204-E207 VanDerWaalsContact ND2-OE1 3.17Å; N204-E207 VanDerWaalsContact O-CB 3.3Å; N204-E207 WeakPolarHBondContact O-CB 3.44Å; N204-E207 PolarHBondContact O-N 3.38Å
205T90.8Very high90.6Very high3 Ų313.9 Ų13.92%0.01810%0.097CC..Hα-helixtrans-57.5-35-178.3-350000111.4W111 A114 A115 E207 A208 M209 E348W111-T205 WeakPolarHBondContact O-CG2 3.18Å; A114-T205 HydrophobicContact CB-CG2 3.95Å; A115-T205 HydrophobicContact CB-CG2 4Å; T205-E207 PolarHBondContact O-N 3.19Å; T205-A208 PolarHBondContact O-N 3.43Å; T205-M209 HydrophobicContact CG2-CE 3.46Å; T205-M209 VanDerWaalsContact CG2-CE 3.46Å; T205-M209 HydrophobicContact CG2-CG 4.44Å; T205-M209 HydrophobicContact CG2-SD 4.24Å; T205-M209 WeakPolarHBondContact O-CG 3.49Å; T205-M209 PolarHBondContact O-N 3.15Å; T205-E348 WeakPolarHBondContact CB-OE2 3.25Å; T205-E348 PolarHBondContact OG1-OE2 2.92Å
206T89.8Confident90.3Very high21 Ų2112 Ų1213%0.1298%0.078CC..Hα-helixtrans-54.3-38.2174.649.40000112.6N204 A208 M209 E210 T217 E348N204-T206 PolarHBondContact O-N 2.84Å; N204-T206 VanDerWaalsContact O-N 3.16Å; T206-A208 VanDerWaalsContact C-N 3.31Å; T206-A208 PolarHBondContact O-N 2.93Å; T206-M209 PolarHBondContact O-N 3.24Å; T206-E210 VanDerWaalsContact O-CG 3.28Å; T206-E210 WeakPolarHBondContact O-CG 3.05Å; T206-E210 PolarHBondContact O-N 3.15Å; T206-T217 HydrophobicContact CG2-CG2 3.92Å; T206-E348 HydrophobicContact CG2-CB 3.63Å; T206-E348 HydrophobicContact CG2-CG 3.82Å
207E90.3Very high90Very high8 Ų812.1 Ų12.14%0.0378%0.078CC..Hα-helixtrans-60.1-43.6-179-64.8176-137.400111.6W111 N204 T205 D211 R426 R477W111-E207 HydrophobicContact CE3-CB 4.25Å; W111-E207 HydrophobicContact CH2-CB 4.37Å; W111-E207 HydrophobicContact CZ3-CB 3.65Å; N204-E207 HydrophobicContact CB-CG 4.32Å; N204-E207 PolarHBondContact N-OE1 3.02Å; N204-E207 VanDerWaalsContact N-OE1 3.08Å; N204-E207 PolarHBondContact ND2-OE1 3.26Å; N204-E207 VanDerWaalsContact ND2-OE1 3.17Å; N204-E207 VanDerWaalsContact O-CB 3.3Å; N204-E207 WeakPolarHBondContact O-CB 3.44Å; N204-E207 PolarHBondContact O-N 3.38Å; T205-E207 PolarHBondContact O-N 3.19Å; E207-D211 VanDerWaalsContact O-CG 3.25Å; E207-D211 PolarHBondContact O-N 3.47Å; E207-R426 IonicContact OE1-NH2 2.63Å; E207-R426 IonicContact OE2-CZ 3.69Å; E207-R426 IonicContact OE2-NE 3.99Å; E207-R426 IonicContact OE2-NH2 2.65Å; E207-R426 PolarHBondContact OE2-NH2 3.29Å; E207-R477 VanDerWaalsContact CA-NH2 3.32Å; E207-R477 HydrophobicContact CG-CB 4.16Å; E207-R477 PolarHBondContact O-NH1 3.26Å; E207-R477 PolarHBondContact O-NH2 3.21Å
208A93.2Very high89.6Confident0 Ų012.7 Ų12.70%08%0.081CC..Hα-helixtrans-75.9-40.4179.400000111.2W111 L112 A115 T205 T206 E210 D211 F212W111-A208 HydrophobicContact CE3-CB 3.79Å; W111-A208 HydrophobicContact CZ3-CB 3.57Å; L112-A208 HydrophobicContact CD1-CB 3.7Å; A115-A208 HydrophobicContact CB-CB 3.4Å; A115-A208 VanDerWaalsContact CB-CB 3.4Å; T205-A208 PolarHBondContact O-N 3.43Å; T206-A208 VanDerWaalsContact C-N 3.31Å; T206-A208 PolarHBondContact O-N 2.93Å; A208-E210 VanDerWaalsContact C-N 3.26Å; A208-E210 PolarHBondContact O-N 3.32Å; A208-D211 PolarHBondContact O-N 3.34Å; A208-D211 VanDerWaalsContact O-N 3.14Å; A208-F212 HydrophobicContact CB-CE2 4Å; A208-F212 HydrophobicContact CB-CZ 4.27Å; A208-F212 WeakPolarHBondContact O-CB 3.23Å; A208-F212 WeakPolarHBondContact O-CD2 3.27Å; A208-F212 WeakPolarHBondContact O-CG 3.45Å; A208-F212 PolarHBondContact O-N 3.07Å
209M93.8Very high89.2Confident0 Ų016 Ų160%010%0.095CC..Hα-helixtrans-58.4-40176.5-69.8175.1175.100111.8A115 C118 T205 T206 F212 T213 L242 M243 C350A115-M209 HydrophobicContact CB-CG 3.82Å; C118-M209 HydrophobicContact CB-CE 4.15Å; T205-M209 HydrophobicContact CG2-CE 3.46Å; T205-M209 VanDerWaalsContact CG2-CE 3.46Å; T205-M209 HydrophobicContact CG2-CG 4.44Å; T205-M209 HydrophobicContact CG2-SD 4.24Å; T205-M209 WeakPolarHBondContact O-CG 3.49Å; T205-M209 PolarHBondContact O-N 3.15Å; T206-M209 PolarHBondContact O-N 3.24Å; M209-F212 PolarHBondContact O-N 2.87Å; M209-T213 WeakPolarHBondContact O-CB 3.39Å; M209-T213 VanDerWaalsContact O-CG2 3.28Å; M209-T213 WeakPolarHBondContact O-CG2 3.39Å; M209-T213 PolarHBondContact O-N 3.17Å; M209-T213 VanDerWaalsContact O-N 3.17Å; M209-T213 PolarHBondContact O-OG1 3.15Å; M209-L242 HydrophobicContact CB-CB 4.47Å; M209-L242 HydrophobicContact CB-CD1 4.19Å; M209-L242 HydrophobicContact CE-CB 4.01Å; M209-L242 HydrophobicContact CG-CB 3.94Å; M209-L242 HydrophobicContact CG-CD1 4.04Å; M209-L242 HydrophobicContact SD-CB 3.81Å; M209-M243 VanDerWaalsContact CE-C 3.48Å; M209-C350 HydrophobicContact CB-CB 3.55Å; M209-C350 HydrophobicContact CG-CB 4.25Å; M209-C350 HydrophobicContact SD-CB 3.93Å
210E92.3Very high89.1Confident1 Ų117.9 Ų17.91%0.00510%0.102CC..Hα-helixtrans-66.2-46.3173.5-69.1-178.4128.500112.3T206 A208 F212 T213 G214 T217 M421 R477 R508T206-E210 VanDerWaalsContact O-CG 3.28Å; T206-E210 WeakPolarHBondContact O-CG 3.05Å; T206-E210 PolarHBondContact O-N 3.15Å; A208-E210 VanDerWaalsContact C-N 3.26Å; A208-E210 PolarHBondContact O-N 3.32Å; E210-F212 PolarHBondContact O-N 2.91Å; E210-F212 VanDerWaalsContact O-N 3.16Å; E210-T213 PolarHBondContact O-N 2.84Å; E210-T213 VanDerWaalsContact O-N 3.07Å; E210-G214 WeakPolarHBondContact O-CA 3.26Å; E210-G214 PolarHBondContact O-N 3.38Å; E210-T217 HydrophobicContact CG-CG2 3.32Å; E210-T217 PolarHBondContact OE1-OG1 3.22Å; E210-M421 WeakPolarHBondContact OE2-CE 3.4Å; E210-R477 IonicContact OE2-CZ 2.73Å; E210-R477 IonicContact OE2-NE 2.73Å; E210-R477 IonicContact OE2-NH2 3.11Å; E210-R477 PolarHBondContact OE2-NH2 3.16Å; E210-R508 IonicContact OE1-CZ 3.12Å; E210-R508 IonicContact OE1-NH2 3.46Å; E210-R508 PolarHBondContact OE1-NH2 3.22Å
211D94.1Very high89.1Confident1 Ų122 Ų221%0.00512%0.121CC..Hα-helixtrans-64.5-19.8179.7-70.612.3000111.9F148 W149 R150 Y190 H194 E207 A208 R477F148-D211 CarbonylContact C-O 3.51Å; F148-D211 WeakPolarHBondContact CA-O 3.28Å; W149-D211 PolarHBondContact N-O 3.28Å; W149-D211 WeakPolarHBondContact O-CA 3.42Å; R150-D211 IonicContact CZ-OD2 3.79Å; R150-D211 IonicContact NH1-OD1 3.11Å; R150-D211 PolarHBondContact NH1-OD1 3.26Å; R150-D211 IonicContact NH1-OD2 2.65Å; R150-D211 PolarHBondContact NH1-OD2 3.13Å; Y190-D211 HydrophobicContact CE2-CB 3.87Å; Y190-D211 WeakPolarHBondContact CE2-OD2 3.41Å; Y190-D211 PolarHBondContact OH-OD2 3.39Å; H194-D211 IonicContact NE2-OD2 2.81Å; E207-D211 VanDerWaalsContact O-CG 3.25Å; E207-D211 PolarHBondContact O-N 3.47Å; A208-D211 PolarHBondContact O-N 3.34Å; A208-D211 VanDerWaalsContact O-N 3.14Å; D211-R477 IonicContact OD1-CZ 3.91Å; D211-R477 IonicContact OD1-NH1 3.51Å; D211-R477 PolarHBondContact OD1-NH1 2.98Å; D211-R477 IonicContact OD1-NH2 2.94Å; D211-R477 PolarHBondContact OD1-NH2 3.08Å; D211-R477 VanDerWaalsContact OD1-NH2 3.08Å; D211-R477 IonicContact OD2-NH1 2.73Å; D211-R477 PolarHBondContact OD2-NH1 2.99Å
212F93.8Very high89.2Confident0 Ų019.1 Ų19.10%011%0.109CC..Hα-helixtrans-92.1-15.5174.8-61.4-24.2000114.5L112 A115 I116 L119 V129 F148 Y190 A208 M209 E210L112-F212 HydrophobicContact CD1-CE1 4.36Å; L112-F212 HydrophobicContact CD1-CE2 4.24Å; L112-F212 HydrophobicContact CD1-CZ 3.53Å; A115-F212 HydrophobicContact CB-CD2 4.11Å; A115-F212 HydrophobicContact CB-CE2 3.78Å; I116-F212 HydrophobicContact CB-CE2 4.42Å; I116-F212 HydrophobicContact CD1-CZ 4.4Å; I116-F212 HydrophobicContact CG1-CE2 3.6Å; I116-F212 HydrophobicContact CG1-CZ 3.57Å; L119-F212 HydrophobicContact CD1-CB 4.22Å; L119-F212 HydrophobicContact CD2-CB 4.3Å; L119-F212 HydrophobicContact CD2-CD2 4.17Å; L119-F212 HydrophobicContact CD2-CG 4.15Å; V129-F212 HydrophobicContact CG1-CD1 4.05Å; V129-F212 HydrophobicContact CG1-CE1 4.46Å; V129-F212 HydrophobicContact CG2-CB 3.96Å; V129-F212 HydrophobicContact CG2-CD1 4.31Å; V129-F212 HydrophobicContact CG2-CG 4.43Å; V129-F212 VanDerWaalsContact CG2-O 3.25Å; V129-F212 WeakPolarHBondContact CG2-O 3.48Å; F148-F212 HydrophobicContact CD1-CD1 4.01Å; F148-F212 AromaticContact CD1-CE1 3.94Å; F148-F212 HydrophobicContact CD1-CE1 3.94Å; F148-F212 HydrophobicContact CE1-CD1 4.22Å; F148-F212 AromaticContact CE1-CE1 3.78Å; F148-F212 HydrophobicContact CE1-CE1 3.78Å; Y190-F212 HydrophobicContact CD2-CE1 4.42Å; A208-F212 HydrophobicContact CB-CE2 4Å; A208-F212 HydrophobicContact CB-CZ 4.27Å; A208-F212 WeakPolarHBondContact O-CB 3.23Å; A208-F212 WeakPolarHBondContact O-CD2 3.27Å; A208-F212 WeakPolarHBondContact O-CG 3.45Å; A208-F212 PolarHBondContact O-N 3.07Å; M209-F212 PolarHBondContact O-N 2.87Å; E210-F212 PolarHBondContact O-N 2.91Å; E210-F212 VanDerWaalsContact O-N 3.16Å
213T90.3Very high89.4Confident2 Ų227.3 Ų27.31%0.01214%0.135CC..Hα-helixtrans-131.6-23.2-168.464.10000114.9L125 M209 E210 G215 L242 C350 L352L125-T213 HydrophobicContact CD1-CG2 4.03Å; M209-T213 WeakPolarHBondContact O-CB 3.39Å; M209-T213 VanDerWaalsContact O-CG2 3.28Å; M209-T213 WeakPolarHBondContact O-CG2 3.39Å; M209-T213 PolarHBondContact O-N 3.17Å; M209-T213 VanDerWaalsContact O-N 3.17Å; M209-T213 PolarHBondContact O-OG1 3.15Å; E210-T213 PolarHBondContact O-N 2.84Å; E210-T213 VanDerWaalsContact O-N 3.07Å; T213-G215 PolarHBondContact O-N 3.04Å; T213-G215 PolarHBondContact OG1-N 3.05Å; T213-L242 HydrophobicContact CG2-CD1 3.61Å; T213-L242 HydrophobicContact CG2-CG 4.26Å; T213-C350 PolarHBondContact OG1-SG 2.89Å; T213-C350 VanDerWaalsContact OG1-SG 3.33Å; T213-L352 HydrophobicContact CG2-CD2 3.82Å
214G88.8Confident89.6Confident7 Ų732 Ų327%0.07215%0.15CC..  trans659.7-163.400000114.1E210 T353 R508E210-G214 WeakPolarHBondContact O-CA 3.26Å; E210-G214 PolarHBondContact O-N 3.38Å; G214-T353 WeakPolarHBondContact O-CG2 3.45Å; G214-R508 PolarHBondContact O-NH1 3.5Å
215G87.9Confident89.6Confident0 Ų030.6 Ų30.60%015%0.146CC..  trans-69.2178.5-175.600000114.5T213 N351 R508T213-G215 PolarHBondContact O-N 3.04Å; T213-G215 PolarHBondContact OG1-N 3.05Å; G215-N351 CarbonylContact C-O 3.56Å; G215-N351 WeakPolarHBondContact CA-O 3.23Å; G215-R508 PolarHBondContact O-NH1 2.83Å
216V84.8Confident89.3Confident1 Ų133 Ų331%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-102.5131.1174.161.70000110.1C350 N351 V417 T480 F510V216-C350 CarbonylContact O-C 3.54Å; V216-C350 WeakPolarHBondContact O-CA 3.4Å; V216-N351 HydrophobicContact CG1-CB 3.79Å; V216-N351 PolarHBondContact N-O 2.98Å; V216-N351 PolarHBondContact O-N 3.05Å; V216-V417 HydrophobicContact CG2-CB 4.35Å; V216-V417 HydrophobicContact CG2-CG1 3.72Å; V216-T480 HydrophobicContact CG2-CG2 4.2Å; V216-F510 HydrophobicContact CB-CD1 3.85Å; V216-F510 HydrophobicContact CB-CD2 3.68Å; V216-F510 HydrophobicContact CB-CE1 3.73Å; V216-F510 HydrophobicContact CB-CE2 3.51Å; V216-F510 HydrophobicContact CB-CG 3.86Å; V216-F510 HydrophobicContact CB-CZ 3.56Å; V216-F510 HydrophobicContact CG1-CD1 3.97Å; V216-F510 HydrophobicContact CG1-CD2 4.37Å; V216-F510 HydrophobicContact CG1-CE1 4.23Å; V216-F510 HydrophobicContact CG1-CG 4.09Å; V216-F510 HydrophobicContact CG2-CD1 4.45Å; V216-F510 HydrophobicContact CG2-CD2 3.41Å; V216-F510 VanDerWaalsContact CG2-CD2 3.41Å; V216-F510 HydrophobicContact CG2-CE2 3.48Å; V216-F510 VanDerWaalsContact CG2-CE2 3.48Å; V216-F510 HydrophobicContact CG2-CG 3.95Å; V216-F510 HydrophobicContact CG2-CZ 4.09Å
217T88.7Confident89.1Confident8 Ų841.2 Ų41.25%0.04920%0.195CC..EExtended strand (participates in β ladder)trans-99.8139.6179.261.80000112.9T206 E210 I349 C350 E478 T480T206-T217 HydrophobicContact CG2-CG2 3.92Å; E210-T217 HydrophobicContact CG-CG2 3.32Å; E210-T217 PolarHBondContact OE1-OG1 3.22Å; T217-I349 CarbonylContact C-O 3.5Å; T217-I349 VanDerWaalsContact CA-O 3.3Å; T217-I349 WeakPolarHBondContact CA-O 3.49Å; T217-C350 HydrophobicContact CG2-CB 3.89Å; T217-E478 PolarHBondContact OG1-OE2 3.31Å; T217-T480 WeakPolarHBondContact O-CB 3.46Å; T217-T480 WeakPolarHBondContact O-CG2 3.16Å
218E86.4Confident88.7Confident15 Ų1545.9 Ų45.97%0.0722%0.217CC..EExtended strand (participates in β ladder)trans-127146171.3-61.4-175.512100108.1Y220 E348 I349 N351 R482E218-Y220 HydrophobicContact CB-CE2 4.38Å; E218-E348 CarbonylContact O-C 3.51Å; E218-E348 WeakPolarHBondContact O-CA 3.49Å; E218-I349 PolarHBondContact N-O 3.44Å; E218-I349 PolarHBondContact O-N 2.57Å; E218-N351 PolarHBondContact OE2-ND2 3.32Å; E218-N351 VanDerWaalsContact OE2-ND2 3.1Å; E218-R482 IonicContact OE1-CZ 3.8Å; E218-R482 IonicContact OE1-NE 3.89Å; E218-R482 PolarHBondContact OE1-NE 3.14Å; E218-R482 IonicContact OE1-NH2 2.65Å; E218-R482 PolarHBondContact OE1-NH2 2.84Å; E218-R482 IonicContact OE2-CZ 2.75Å; E218-R482 IonicContact OE2-NE 2.62Å; E218-R482 IonicContact OE2-NH2 3.12Å; E218-R482 PolarHBondContact OE2-NH2 2.83Å
219F86.3Confident88.5Confident83 Ų8346 Ų4636%0.36422%0.217SC..EExtended strand (participates in β ladder)trans-127.8145.2172.674.4-86.4000110.5E221 I347 E348F219-E221 HydrophobicContact CE2-CG 4.41Å; F219-I347 CarbonylContact C-O 3.53Å; F219-I347 VanDerWaalsContact CA-O 3.24Å; F219-I347 WeakPolarHBondContact CA-O 3.05Å; F219-E348 HydrophobicContact CB-CG 4.48Å
220Y87.9Confident88.4Confident42 Ų4246.3 Ų46.317%0.16522%0.219CC..EExtended strand (participates in β ladder)trans-123.4124.6174.2-55.3-95.5000109.3E218 P226 L229 K346 I347 I349E218-Y220 HydrophobicContact CB-CE2 4.38Å; Y220-P226 HydrophobicContact CD1-CG 4.22Å; Y220-P226 HydrophobicContact CE1-CG 4.15Å; Y220-L229 HydrophobicContact CD2-CD1 4.32Å; Y220-L229 HydrophobicContact CG-CD1 4.36Å; Y220-K346 WeakPolarHBondContact O-CA 3.2Å; Y220-I347 HydrophobicContact CD2-CG2 4Å; Y220-I347 HydrophobicContact CG-CG2 4.25Å; Y220-I347 PolarHBondContact N-O 3.26Å; Y220-I347 PolarHBondContact O-N 3.1Å; Y220-I349 HydrophobicContact CD2-CD1 4.37Å; Y220-I349 HydrophobicContact CE2-CD1 3.93Å; Y220-I349 HydrophobicContact CE2-CG1 4.49Å
221E90Very high87.9Confident86 Ų8650.9 Ų50.940%0.40224%0.238SC..EExtended strand (participates in β ladder)trans-72.9127165.7-64.6-168.2-175.800109.2F219 K223 E224 A225F219-E221 HydrophobicContact CE2-CG 4.41Å; E221-K223 PolarHBondContact O-N 2.87Å; E221-K223 VanDerWaalsContact O-N 3.12Å; E221-E224 CarbonylContact O-C 3.47Å; E221-E224 PolarHBondContact O-N 2.56Å; E221-A225 PolarHBondContact O-N 2.88Å
222M90.6Very high87.5Confident12 Ų1253.2 Ų53.26%0.05925%0.251CS..THydrogen-bonded Turntrans-59.3-30.1-173.9-74.7-63.5166.700113.3E224 L229 F340 K341 Y344 T345 I347M222-E224 VanDerWaalsContact C-N 3.33Å; M222-L229 HydrophobicContact CE-CD2 4.12Å; M222-L229 HydrophobicContact SD-CD2 3.78Å; M222-F340 HydrophobicContact CE-CD1 4.15Å; M222-F340 HydrophobicContact CE-CE1 3.28Å; M222-F340 HydrophobicContact CE-CE2 4.48Å; M222-F340 HydrophobicContact CE-CZ 3.48Å; M222-F340 VanDerWaalsContact CE-CZ 3.48Å; M222-F340 HydrophobicContact SD-CE1 4.22Å; M222-K341 HydrophobicContact SD-CG 4.41Å; M222-Y344 WeakPolarHBondContact CB-O 3.2Å; M222-Y344 VanDerWaalsContact CG-O 3.28Å; M222-Y344 WeakPolarHBondContact CG-O 3.26Å; M222-T345 PolarHBondContact N-O 3.41Å; M222-I347 HydrophobicContact CE-CB 3.44Å; M222-I347 VanDerWaalsContact CE-CB 3.44Å; M222-I347 HydrophobicContact CE-CG2 3.46Å; M222-I347 VanDerWaalsContact CE-CG2 3.46Å
223K88.4Confident87.3Confident206 Ų20653.2 Ų53.290%0.89625%0.251SS*.THydrogen-bonded Turntrans-69-31.4176.4-68.4-177.8179.5175.50113E221E221-K223 PolarHBondContact O-N 2.87Å; E221-K223 VanDerWaalsContact O-N 3.12Å
224E87.4Confident87.1Confident124 Ų12457.5 Ų57.558%0.57927%0.269SS*.THydrogen-bonded Turntrans-105.96.7-179.6-57.5-170166.800112.2E221 M222 K471E221-E224 CarbonylContact O-C 3.47Å; E221-E224 PolarHBondContact O-N 2.56Å; M222-E224 VanDerWaalsContact C-N 3.33Å; E224-K471 IonicContact OE2-NZ 3.27Å; E224-K471 PolarHBondContact OE2-NZ 2.82Å
225A85.7Confident86.7Confident23 Ų2361.6 Ų61.619%0.1929%0.285CS..  trans-63.8140.4-17300000111.3E221 L229E221-A225 PolarHBondContact O-N 2.88Å; A225-L229 HydrophobicContact CB-CB 4.48Å; A225-L229 HydrophobicContact CB-CD2 3.76Å
226P84.6Confident86.5Confident52 Ų5261.9 Ų61.934%0.33829%0.287SS..  trans-61.4149.4177.426.6-34.4000110.8Y220 E228 L229 I232Y220-P226 HydrophobicContact CD1-CG 4.22Å; Y220-P226 HydrophobicContact CE1-CG 4.15Å; P226-E228 PolarHBondContact O-N 3.09Å; P226-E228 VanDerWaalsContact O-N 3.12Å; P226-L229 HydrophobicContact CG-CB 4.36Å; P226-L229 VanDerWaalsContact O-CB 3.28Å; P226-L229 WeakPolarHBondContact O-CB 3.47Å; P226-L229 PolarHBondContact O-N 2.75Å; P226-I232 HydrophobicContact CG-CD1 3.72Å
227K85.1Confident86.5Confident195 Ų19563.9 Ų63.985%0.84830%0.298SS*.THydrogen-bonded Turntrans-55.5-32.5177.2-67.6-178.1-179.7175.90112.3L229K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 3.47Å
228E83.3Confident86.1Confident106 Ų10668.8 Ų68.850%0.49532%0.32SS..THydrogen-bonded Turntrans-84.811-179.9-58.7-50.9121.600114.3P226 Y230 K231 I232P226-E228 PolarHBondContact O-N 3.09Å; P226-E228 VanDerWaalsContact O-N 3.12Å; E228-Y230 PolarHBondContact O-N 3.35Å; E228-Y230 VanDerWaalsContact O-N 3.09Å; E228-K231 WeakPolarHBondContact O-CA 3.33Å; E228-K231 WeakPolarHBondContact O-CB 3.43Å; E228-K231 PolarHBondContact O-N 3.38Å; E228-I232 PolarHBondContact O-N 3.33Å
229L88.9Confident85.6Confident2 Ų272.9 Ų72.91%0.0133%0.334CS..Hα-helixtrans-50.8-40.3-176.5176.664.4000113Y220 M222 A225 P226 K227 K231 I232 M233 F337 I347Y220-L229 HydrophobicContact CD2-CD1 4.32Å; Y220-L229 HydrophobicContact CG-CD1 4.36Å; M222-L229 HydrophobicContact CE-CD2 4.12Å; M222-L229 HydrophobicContact SD-CD2 3.78Å; A225-L229 HydrophobicContact CB-CB 4.48Å; A225-L229 HydrophobicContact CB-CD2 3.76Å; P226-L229 HydrophobicContact CG-CB 4.36Å; P226-L229 VanDerWaalsContact O-CB 3.28Å; P226-L229 WeakPolarHBondContact O-CB 3.47Å; P226-L229 PolarHBondContact O-N 2.75Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 3.47Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.11Å; L229-I232 WeakPolarHBondContact O-CB 3.46Å; L229-I232 PolarHBondContact O-N 3.03Å; L229-I232 VanDerWaalsContact O-N 3.15Å; L229-M233 HydrophobicContact CD1-CG 4.2Å; L229-M233 HydrophobicContact CD2-SD 4.47Å; L229-M233 HydrophobicContact CG-CG 4.31Å; L229-M233 HydrophobicContact CG-SD 4.08Å; L229-M233 WeakPolarHBondContact O-CG 3.28Å; L229-M233 PolarHBondContact O-N 3.3Å; L229-F337 HydrophobicContact CB-CZ 4.16Å; L229-F337 HydrophobicContact CD2-CE2 4.38Å; L229-F337 HydrophobicContact CD2-CZ 4.16Å; L229-F337 HydrophobicContact CG-CZ 4.22Å; L229-I347 HydrophobicContact CD1-CG2 4.1Å; L229-I347 HydrophobicContact CD2-CG2 4.26Å
230Y91.1Very high85.4Confident7 Ų769.8 Ų69.83%0.02733%0.326CS..Hα-helixtrans-62-39.2177.9-172.1-96.9000112.9E228 I232 M233 K234 V274 G275 E276 R288 F337E228-Y230 PolarHBondContact O-N 3.35Å; E228-Y230 VanDerWaalsContact O-N 3.09Å; Y230-I232 VanDerWaalsContact C-N 3.34Å; Y230-M233 PolarHBondContact O-N 3.11Å; Y230-K234 WeakPolarHBondContact O-CB 3.38Å; Y230-K234 PolarHBondContact O-N 3.04Å; Y230-V274 HydrophobicContact CE2-CB 4.05Å; Y230-V274 HydrophobicContact CE2-CG1 4.38Å; Y230-G275 VanDerWaalsContact OH-C 3.24Å; Y230-G275 PolarHBondContact OH-N 2.92Å; Y230-G275 PolarHBondContact OH-O 3.4Å; Y230-E276 HydrophobicContact CE1-CG 4.23Å; Y230-R288 HydrophobicContact CD1-CG 4.04Å; Y230-R288 HydrophobicContact CD2-CB 4.08Å; Y230-R288 HydrophobicContact CD2-CG 4.42Å; Y230-R288 HydrophobicContact CE1-CB 4.17Å; Y230-R288 HydrophobicContact CE1-CG 3.7Å; Y230-R288 HydrophobicContact CE2-CB 3.66Å; Y230-R288 HydrophobicContact CE2-CG 4.13Å; Y230-R288 HydrophobicContact CG-CG 4.37Å; Y230-F337 HydrophobicContact CD2-CB 4.16Å; Y230-F337 HydrophobicContact CD2-CD1 4.24Å; Y230-F337 AromaticContact CD2-CD2 3.67Å; Y230-F337 HydrophobicContact CD2-CD2 3.67Å; Y230-F337 HydrophobicContact CD2-CE2 4.08Å; Y230-F337 AromaticContact CD2-CG 3.75Å; Y230-F337 HydrophobicContact CD2-CG 3.75Å; Y230-F337 HydrophobicContact CE2-CB 4.45Å; Y230-F337 HydrophobicContact CE2-CD2 4.48Å; Y230-F337 HydrophobicContact CE2-CG 4.49Å
231K82.5Confident85.3Confident96 Ų9668.1 Ų68.142%0.41732%0.321SS..Hα-helixtrans-66.5-39.1175.4-172.3-178.4-179.2-176.10110.2E228 L229 K234 K235E228-K231 WeakPolarHBondContact O-CA 3.33Å; E228-K231 WeakPolarHBondContact O-CB 3.43Å; E228-K231 PolarHBondContact O-N 3.38Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.11Å; K231-K234 PolarHBondContact O-N 3.21Å; K231-K235 WeakPolarHBondContact O-CB 3.43Å; K231-K235 WeakPolarHBondContact O-CG 3.34Å; K231-K235 PolarHBondContact O-N 3.17Å
232I84.6Confident85.4Confident51 Ų5164.2 Ų64.226%0.26230%0.303SS..Hα-helixtrans-61.5-51.3175-62.4172.3000110.3P226 E228 L229 Y230 K234 K235 A236 I349P226-I232 HydrophobicContact CG-CD1 3.72Å; E228-I232 PolarHBondContact O-N 3.33Å; L229-I232 WeakPolarHBondContact O-CB 3.46Å; L229-I232 PolarHBondContact O-N 3.03Å; L229-I232 VanDerWaalsContact O-N 3.15Å; Y230-I232 VanDerWaalsContact C-N 3.34Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 3.02Å; I232-K235 PolarHBondContact O-N 2.74Å; I232-A236 WeakPolarHBondContact O-CB 3.42Å; I232-A236 PolarHBondContact O-N 3.22Å; I232-I349 HydrophobicContact CG2-CD1 4.09Å
233M90.2Very high85.6Confident0 Ų063.7 Ų63.70%030%0.3CS..Hα-helixtrans-57.8-44.2178.5-69.417369.500112.2L229 Y230 A236 L237 M243 V271 V274 V290 F337 F340 I347L229-M233 HydrophobicContact CD1-CG 4.2Å; L229-M233 HydrophobicContact CD2-SD 4.47Å; L229-M233 HydrophobicContact CG-CG 4.31Å; L229-M233 HydrophobicContact CG-SD 4.08Å; L229-M233 WeakPolarHBondContact O-CG 3.28Å; L229-M233 PolarHBondContact O-N 3.3Å; Y230-M233 PolarHBondContact O-N 3.11Å; M233-A236 PolarHBondContact O-N 3.26Å; M233-L237 PolarHBondContact O-N 2.94Å; M233-M243 HydrophobicContact CB-CE 4.09Å; M233-M243 HydrophobicContact CB-SD 4.14Å; M233-M243 HydrophobicContact CE-CE 4.47Å; M233-M243 HydrophobicContact CG-SD 4.23Å; M233-V271 HydrophobicContact CE-CG1 3.91Å; M233-V274 HydrophobicContact CB-CG1 4.24Å; M233-V274 HydrophobicContact CE-CG1 4.02Å; M233-V290 HydrophobicContact CE-CG1 3.93Å; M233-V290 HydrophobicContact CE-CG2 4.23Å; M233-F337 HydrophobicContact SD-CE2 3.84Å; M233-F340 HydrophobicContact CE-CE1 3.91Å; M233-F340 HydrophobicContact CE-CZ 4.3Å; M233-F340 HydrophobicContact SD-CE1 4.08Å; M233-I347 HydrophobicContact CE-CD1 3.65Å; M233-I347 HydrophobicContact CG-CD1 3.49Å; M233-I347 VanDerWaalsContact CG-CD1 3.49Å; M233-I347 HydrophobicContact SD-CD1 3.57Å; M233-I347 VanDerWaalsContact SD-CD1 3.57Å
234K86.4Confident85.9Confident91 Ų9153.9 Ų53.940%0.39626%0.258SS..Hα-helixtrans-61.5-49.7177.6-175.2177.4171.5-175.30111.7Y230 K231 I232 A236 L237 E238 V274Y230-K234 WeakPolarHBondContact O-CB 3.38Å; Y230-K234 PolarHBondContact O-N 3.04Å; K231-K234 PolarHBondContact O-N 3.21Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 3.02Å; K234-A236 VanDerWaalsContact C-N 3.29Å; K234-A236 PolarHBondContact O-N 2.6Å; K234-L237 PolarHBondContact O-N 2.8Å; K234-E238 WeakPolarHBondContact CE-OE1 3.46Å; K234-E238 IonicContact NZ-OE1 3.98Å; K234-E238 WeakPolarHBondContact O-CG 3.45Å; K234-E238 PolarHBondContact O-N 3.06Å; K234-V274 HydrophobicContact CB-CG2 3.74Å; K234-V274 HydrophobicContact CG-CG2 3.99Å
235K79.1Confident86.3Confident94 Ų9448 Ų4841%0.40923%0.23SC..Hα-helixtrans-61.1-38.4177.1-76-176.6174.1-170.50111.9K231 I232 E238 R239K231-K235 WeakPolarHBondContact O-CB 3.43Å; K231-K235 WeakPolarHBondContact O-CG 3.34Å; K231-K235 PolarHBondContact O-N 3.17Å; I232-K235 PolarHBondContact O-N 2.74Å; K235-E238 PolarHBondContact O-N 3.31Å; K235-R239 WeakPolarHBondContact O-CB 3.32Å; K235-R239 WeakPolarHBondContact O-CD 3.42Å; K235-R239 WeakPolarHBondContact O-CG 3.31Å; K235-R239 PolarHBondContact O-N 3.33Å
236A83.7Confident86.6Confident5 Ų547.8 Ų47.84%0.04123%0.227CC..Hα-helixtrans-61.9-49177.900000111.2I232 M233 K234 E238 R239 G240 S241 M243 I349I232-A236 WeakPolarHBondContact O-CB 3.42Å; I232-A236 PolarHBondContact O-N 3.22Å; M233-A236 PolarHBondContact O-N 3.26Å; K234-A236 VanDerWaalsContact C-N 3.29Å; K234-A236 PolarHBondContact O-N 2.6Å; A236-E238 PolarHBondContact O-N 3.34Å; A236-R239 CarbonylContact O-C 3.55Å; A236-R239 PolarHBondContact O-N 2.73Å; A236-R239 VanDerWaalsContact O-N 3.14Å; A236-G240 PolarHBondContact O-N 3.22Å; A236-G240 VanDerWaalsContact O-N 3.15Å; A236-S241 VanDerWaalsContact O-CB 3.27Å; A236-S241 WeakPolarHBondContact O-CB 3.48Å; A236-S241 PolarHBondContact O-N 2.98Å; A236-S241 PolarHBondContact O-OG 3.2Å; A236-M243 HydrophobicContact CB-CG 4.46Å; A236-M243 HydrophobicContact CB-SD 3.74Å; A236-I349 HydrophobicContact CB-CG2 3.98Å
237L85.1Confident87Confident44 Ų4445.8 Ų45.823%0.2321%0.213CC..Hα-helixtrans-63-42.5175.9-72.7165.8000112.9M233 K234 R239 G240 M243 V274M233-L237 PolarHBondContact O-N 2.94Å; K234-L237 PolarHBondContact O-N 2.8Å; L237-R239 PolarHBondContact O-N 2.66Å; L237-G240 PolarHBondContact O-N 3.1Å; L237-M243 HydrophobicContact CD1-CE 3.48Å; L237-M243 VanDerWaalsContact CD1-CE 3.48Å; L237-M243 HydrophobicContact CD2-CE 3.72Å; L237-M243 HydrophobicContact CG-CE 3.31Å; L237-V274 HydrophobicContact CD1-CB 4.35Å; L237-V274 HydrophobicContact CD1-CG1 3.96Å; L237-V274 HydrophobicContact CD1-CG2 3.95Å
238E80.4Confident87Confident110 Ų11039.8 Ų39.851%0.51419%0.191SC..Hα-helixtrans-61.3-27176.2-72.9170.7173.800112.4K234 K235 A236 K361K234-E238 WeakPolarHBondContact CE-OE1 3.46Å; K234-E238 IonicContact NZ-OE1 3.98Å; K234-E238 WeakPolarHBondContact O-CG 3.45Å; K234-E238 PolarHBondContact O-N 3.06Å; K235-E238 PolarHBondContact O-N 3.31Å; A236-E238 PolarHBondContact O-N 3.34Å; E238-K361 PolarHBondContact O-NZ 3.04Å
239R76.8Confident86.6Confident101 Ų10136.6 Ų36.638%0.38118%0.18SC..THydrogen-bonded Turntrans-88.4-2.6174.6-68.9169.8-178.4-170-4.8113.2K235 A236 L237 S241 L357K235-R239 WeakPolarHBondContact O-CB 3.32Å; K235-R239 WeakPolarHBondContact O-CD 3.42Å; K235-R239 WeakPolarHBondContact O-CG 3.31Å; K235-R239 PolarHBondContact O-N 3.33Å; A236-R239 CarbonylContact O-C 3.55Å; A236-R239 PolarHBondContact O-N 2.73Å; A236-R239 VanDerWaalsContact O-N 3.14Å; L237-R239 PolarHBondContact O-N 2.66Å; R239-S241 VanDerWaalsContact C-N 3.32Å; R239-L357 WeakPolarHBondContact O-CD2 3.4Å
240G81Confident85.5Confident19 Ų1944.5 Ų44.520%0.19622%0.221CC..THydrogen-bonded Turntrans78.312.3-178.600000114.4A236 L237 L352A236-G240 PolarHBondContact O-N 3.22Å; A236-G240 VanDerWaalsContact O-N 3.15Å; L237-G240 PolarHBondContact O-N 3.1Å; G240-L352 WeakPolarHBondContact O-CD1 3.44Å
241S87Confident84Confident7 Ų747.9 Ų47.95%0.04924%0.243CC..  trans-59.6143.7173-59.40000110.7A236 R239 C350 N351A236-S241 VanDerWaalsContact O-CB 3.27Å; A236-S241 WeakPolarHBondContact O-CB 3.48Å; A236-S241 PolarHBondContact O-N 2.98Å; A236-S241 PolarHBondContact O-OG 3.2Å; R239-S241 VanDerWaalsContact C-N 3.32Å; S241-C350 CarbonylContact C-O 3.18Å; S241-C350 VanDerWaalsContact CA-O 3.26Å; S241-C350 WeakPolarHBondContact CA-O 3.42Å; S241-C350 VanDerWaalsContact CB-O 3.23Å; S241-C350 WeakPolarHBondContact CB-O 3.47Å; S241-N351 PolarHBondContact OG-OD1 3.25Å
242L92.1Very high82.6Confident4 Ų448.5 Ų48.52%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-84.3140174-50.3-173.7000108.8C118 L125 M209 T213 I349 C350C118-L242 HydrophobicContact CB-CB 3.99Å; C118-L242 HydrophobicContact CB-CD1 4.49Å; C118-L242 HydrophobicContact CB-CD2 4.12Å; C118-L242 HydrophobicContact CB-CG 4.42Å; C118-L242 WeakPolarHBondContact O-CD2 3.47Å; L125-L242 HydrophobicContact CD1-CD2 4.41Å; M209-L242 HydrophobicContact CB-CB 4.47Å; M209-L242 HydrophobicContact CB-CD1 4.19Å; M209-L242 HydrophobicContact CE-CB 4.01Å; M209-L242 HydrophobicContact CG-CB 3.94Å; M209-L242 HydrophobicContact CG-CD1 4.04Å; M209-L242 HydrophobicContact SD-CB 3.81Å; T213-L242 HydrophobicContact CG2-CD1 3.61Å; T213-L242 HydrophobicContact CG2-CG 4.26Å; L242-I349 CarbonylContact O-C 3.4Å; L242-I349 WeakPolarHBondContact O-CA 3.35Å; L242-C350 HydrophobicContact CB-CB 4.22Å; L242-C350 PolarHBondContact N-O 3.24Å; L242-C350 PolarHBondContact O-N 3.33Å
243M94.1Very high80.9Confident1 Ų150.3 Ų50.31%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-135128.2-179.1-66.9-165-49.600112.2C118 M209 M233 A236 L237 V271 I347 E348 I349C118-M243 PolarHBondContact SG-O 3.47Å; M209-M243 VanDerWaalsContact CE-C 3.48Å; M233-M243 HydrophobicContact CB-CE 4.09Å; M233-M243 HydrophobicContact CB-SD 4.14Å; M233-M243 HydrophobicContact CE-CE 4.47Å; M233-M243 HydrophobicContact CG-SD 4.23Å; A236-M243 HydrophobicContact CB-CG 4.46Å; A236-M243 HydrophobicContact CB-SD 3.74Å; L237-M243 HydrophobicContact CD1-CE 3.48Å; L237-M243 VanDerWaalsContact CD1-CE 3.48Å; L237-M243 HydrophobicContact CD2-CE 3.72Å; L237-M243 HydrophobicContact CG-CE 3.31Å; M243-V271 HydrophobicContact CB-CB 3.84Å; M243-V271 HydrophobicContact CB-CG2 4.24Å; M243-V271 HydrophobicContact CE-CB 4.09Å; M243-V271 HydrophobicContact CE-CG1 3.71Å; M243-V271 PolarHBondContact O-N 2.68Å; M243-I347 HydrophobicContact SD-CD1 4.48Å; M243-E348 CarbonylContact C-O 3.48Å; M243-E348 VanDerWaalsContact CA-O 3.26Å; M243-E348 WeakPolarHBondContact CA-O 3.33Å; M243-I349 HydrophobicContact CG-CB 4.31Å; M243-I349 HydrophobicContact CG-CG1 3.96Å; M243-I349 HydrophobicContact CG-CG2 4.03Å; M243-I349 HydrophobicContact SD-CD1 3.92Å; M243-I349 HydrophobicContact SD-CG1 3.98Å; M243-I349 HydrophobicContact SD-CG2 4.45Å
244G94.9Very high79.2Confident0 Ų058.8 Ų58.80%031%0.311CS..EExtended strand (participates in β ladder)trans-118.9164.1174.700000111Y269 I347 E348G244-Y269 CarbonylContact C-O 3.57Å; G244-Y269 VanDerWaalsContact CA-O 3.28Å; G244-Y269 WeakPolarHBondContact CA-O 3.42Å; G244-I347 WeakPolarHBondContact O-CA 3.43Å; G244-I347 WeakPolarHBondContact O-CG1 3.36Å; G244-E348 PolarHBondContact N-O 3.22Å; G244-E348 PolarHBondContact O-N 2.88Å
245C95Very high78Confident0 Ų061.3 Ų61.30%032%0.322CS..EExtended strand (participates in β ladder)trans-149.2157.9170.859.20000110.5Y269 V271 F340 Y344 K346C245-Y269 PolarHBondContact N-O 3.38Å; C245-Y269 PolarHBondContact O-N 2.92Å; C245-V271 HydrophobicContact CB-CG2 4.24Å; C245-F340 HydrophobicContact CB-CE2 3.96Å; C245-F340 HydrophobicContact CB-CZ 3.99Å; C245-Y344 HydrophobicContact CB-CD1 3.92Å; C245-Y344 HydrophobicContact CB-CE1 4.38Å; C245-Y344 VanDerWaalsContact SG-CE1 3.54Å; C245-K346 VanDerWaalsContact CA-O 3.29Å; C245-K346 WeakPolarHBondContact CA-O 3.41Å; C245-K346 VanDerWaalsContact CB-O 3.26Å; C245-K346 WeakPolarHBondContact CB-O 3.46Å
246S93.4Very high77.6Confident18 Ų1860 Ų6013%0.12632%0.317CS..EExtended strand (participates in β ladder)trans-146162.3-179.660.60000112H267 T345 K346S246-H267 WeakPolarHBondContact CB-O 3.47Å; S246-T345 PolarHBondContact O-N 3Å; S246-T345 PolarHBondContact O-OG1 2.9Å; S246-K346 PolarHBondContact N-O 3.37Å; S246-K346 VanDerWaalsContact N-O 3.16Å; S246-K346 PolarHBondContact O-N 3.2Å
247I91.5Very high77.6Confident10 Ų1062.3 Ų62.35%0.05133%0.331CS..  trans-116.6111.5174.6-47.3176.7000107.3L263 K265 G266 N343 Y344 T345I247-L263 HydrophobicContact CD1-CB 3.78Å; I247-L263 HydrophobicContact CD1-CD1 3.94Å; I247-L263 HydrophobicContact CD1-CG 4.42Å; I247-K265 HydrophobicContact CB-CG 4.42Å; I247-K265 HydrophobicContact CG2-CB 4.46Å; I247-K265 HydrophobicContact CG2-CD 4.45Å; I247-K265 HydrophobicContact CG2-CG 3.86Å; I247-G266 PolarHBondContact O-N 2.81Å; I247-N343 WeakPolarHBondContact CG2-O 3.39Å; I247-Y344 HydrophobicContact CD1-CD1 4.3Å; I247-Y344 HydrophobicContact CD1-CE1 4.09Å; I247-Y344 HydrophobicContact CG1-CD1 3.6Å; I247-Y344 HydrophobicContact CG1-CE1 3.76Å; I247-Y344 HydrophobicContact CG1-CG 4.11Å; I247-T345 HydrophobicContact CG2-CG2 4.44Å
248D85.3Confident77.7Confident70 Ų7067.3 Ų67.337%0.37435%0.347SS..  trans-63.6139.9180-66.7-52.2000111.4T345 K346D248-T345 HydrophobicContact CB-CG2 4.13Å; D248-T345 PolarHBondContact N-OG1 2.84Å; D248-T345 WeakPolarHBondContact OD2-CB 3.32Å; D248-T345 PolarHBondContact OD2-OG1 2.82Å; D248-K346 VanDerWaalsContact CG-NZ 3.33Å; D248-K346 IonicContact OD1-NZ 3.84Å; D248-K346 PolarHBondContact OD1-NZ 3.14Å; D248-K346 WeakPolarHBondContact OD2-CE 3.48Å; D248-K346 IonicContact OD2-NZ 2.74Å; D248-K346 PolarHBondContact OD2-NZ 3.17Å; D248-K346 VanDerWaalsContact OD2-NZ 3.15Å
249S76.1Confident78.2Confident38 Ų3863.6 Ų63.627%0.26633%0.332SS..  trans-89129.8170.6-172.90000109.7V251 R254S249-V251 PolarHBondContact O-N 3.17Å; S249-V251 PolarHBondContact OG-O 3.25Å; S249-R254 PolarHBondContact OG-O 3.13Å
250L64.7Low78.9Confident169 Ų16965.6 Ų65.689%0.88536%0.355SS*.SBendtrans-67.2-17.2176.2-68168.3000112.7
251V59.1Low79.4Confident78 Ų7866.5 Ų66.547%0.47336%0.357SS..SBendtrans-122.2108.8179.4-176.70000108.9S249 A253 R254S249-V251 PolarHBondContact O-N 3.17Å; S249-V251 PolarHBondContact OG-O 3.25Å; V251-A253 HydrophobicContact CG1-CB 4.37Å; V251-A253 PolarHBondContact O-N 3.42Å; V251-R254 PolarHBondContact O-N 2.85Å; V251-R254 VanDerWaalsContact O-N 3.12Å
252P53Low79.6Confident109 Ų10966.2 Ų66.271%0.70836%0.355SS*.THydrogen-bonded Turntrans-58-22.9-176.7-25.833.3000114.8F255P252-F255 VanDerWaalsContact O-CE2 3.26Å; P252-F255 WeakPolarHBondContact O-CE2 3.49Å; P252-F255 VanDerWaalsContact O-CZ 3.32Å; P252-F255 WeakPolarHBondContact O-CZ 3.42Å
253A49.5Very low79.7Confident89 Ų8966 Ų6674%0.73635%0.354SS*.THydrogen-bonded Turntrans-84.5-9.1-177.900000114.6V251V251-A253 HydrophobicContact CG1-CB 4.37Å; V251-A253 PolarHBondContact O-N 3.42Å
254R54.8Low79.5Confident178 Ų17866 Ų6667%0.67235%0.354SS*.  trans-112.786.8174.9-69.6-171-176.3-174.81.9109.3S249 V251S249-R254 PolarHBondContact OG-O 3.13Å; V251-R254 PolarHBondContact O-N 2.85Å; V251-R254 VanDerWaalsContact O-N 3.12Å
255F61.5Low79.3Confident144 Ų14469.8 Ų69.863%0.63237%0.37SS*.  trans-70.2149.1167.1-63.4-79.1000109.6P252P252-F255 VanDerWaalsContact O-CE2 3.26Å; P252-F255 WeakPolarHBondContact O-CE2 3.49Å; P252-F255 VanDerWaalsContact O-CZ 3.32Å; P252-F255 WeakPolarHBondContact O-CZ 3.42Å
256E70.9Confident78.8Confident65 Ų6571 Ų7130%0.30438%0.384SS..SBendtrans55.856.4169.7-60.6174.2176.100115.4Q104 V264 K265 W296Q104-E256 PolarHBondContact NE2-OE1 3.36Å; E256-V264 HydrophobicContact CB-CG1 3.98Å; E256-V264 HydrophobicContact CG-CG1 4.49Å; E256-K265 CarbonylContact C-O 3.38Å; E256-K265 WeakPolarHBondContact CA-O 3.34Å; E256-K265 PolarHBondContact N-O 2.9Å; E256-K265 VanDerWaalsContact N-O 3.08Å; E256-W296 HydrophobicContact CB-CH2 4.3Å; E256-W296 HydrophobicContact CB-CZ2 3.98Å; E256-W296 HydrophobicContact CG-CZ2 4.06Å
257T82.4Confident78.6Confident55 Ų5570.4 Ų70.434%0.33738%0.378SS..EExtended strand (participates in β ladder)trans-94.2116.6177.7-57.80000112K265T257-K265 PolarHBondContact N-O 3.34Å; T257-K265 PolarHBondContact O-N 3.06Å
258R88.8Confident78.6Confident148 Ų14870.1 Ų70.156%0.55838%0.378SS*.EExtended strand (participates in β ladder)trans-69.6135.4176.1-165.8178.3-177.2-1741.2112.3L263 V299R258-L263 CarbonylContact C-O 3.56Å; R258-L263 WeakPolarHBondContact CA-O 3.13Å; R258-V299 HydrophobicContact CG-CG1 4.49Å
259T89.7Confident79.1Confident33 Ų3366.8 Ų66.820%0.20236%0.36CS..PPolyproline II helixtrans-88.1167.3173.771.50000111.1T261 G262 L263 K265T259-T261 PolarHBondContact O-N 2.92Å; T259-T261 PolarHBondContact OG1-N 3.38Å; T259-T261 PolarHBondContact OG1-OG1 2.93Å; T259-G262 PolarHBondContact O-N 3.11Å; T259-G262 VanDerWaalsContact O-N 3.11Å; T259-G262 PolarHBondContact OG1-N 2.88Å; T259-L263 HydrophobicContact CG2-CB 4.42Å; T259-L263 WeakPolarHBondContact CG2-O 3.45Å; T259-L263 PolarHBondContact N-O 2.77Å; T259-L263 PolarHBondContact OG1-N 3.44Å; T259-L263 PolarHBondContact OG1-O 2.91Å; T259-K265 HydrophobicContact CG2-CD 4.36Å; T259-K265 HydrophobicContact CG2-CG 4Å
260V91.1Very high80Confident142 Ų14265 Ų6586%0.86135%0.347SS*.THydrogen-bonded Turntrans-61.9-22.9171.7-60.90000113G262 N302V260-G262 VanDerWaalsContact C-N 3.3Å; V260-N302 PolarHBondContact O-ND2 2.65Å; V260-N302 VanDerWaalsContact O-ND2 3.15Å
261T91.9Very high81.5Confident38 Ų3857 Ų5723%0.23331%0.305CS..THydrogen-bonded Turntrans-88.45.1178.254.20000113.7T259 L263 W301 N302T259-T261 PolarHBondContact O-N 2.92Å; T259-T261 PolarHBondContact OG1-N 3.38Å; T259-T261 PolarHBondContact OG1-OG1 2.93Å; T261-L263 VanDerWaalsContact C-N 3.33Å; T261-L263 PolarHBondContact O-N 3.08Å; T261-W301 VanDerWaalsContact CB-CZ3 3.4Å; T261-W301 HydrophobicContact CG2-CH2 4.3Å; T261-W301 HydrophobicContact CG2-CZ3 3.9Å; T261-N302 WeakPolarHBondContact CA-OD1 3.38Å; T261-N302 PolarHBondContact O-N 3.27Å; T261-N302 VanDerWaalsContact O-N 3.11Å; T261-N302 PolarHBondContact O-OD1 2.89Å; T261-N302 VanDerWaalsContact O-OD1 3.05Å
262G91.6Very high83.1Confident1 Ų153.6 Ų53.61%0.0129%0.285CS..SBendtrans89.6-18.8178.700000115.3T259 V260 V299 E300T259-G262 PolarHBondContact O-N 3.11Å; T259-G262 VanDerWaalsContact O-N 3.11Å; T259-G262 PolarHBondContact OG1-N 2.88Å; V260-G262 VanDerWaalsContact C-N 3.3Å; G262-V299 WeakPolarHBondContact O-CG1 3.1Å; G262-E300 WeakPolarHBondContact CA-O 3.22Å
263L93.6Very high85.1Confident1 Ų149.3 Ų49.31%0.00526%0.259CS..  trans-66.9157.6178.2-56.5178.1000112.5I247 R258 T259 T261 W301 F333 N343 Y344I247-L263 HydrophobicContact CD1-CB 3.78Å; I247-L263 HydrophobicContact CD1-CD1 3.94Å; I247-L263 HydrophobicContact CD1-CG 4.42Å; R258-L263 CarbonylContact C-O 3.56Å; R258-L263 WeakPolarHBondContact CA-O 3.13Å; T259-L263 HydrophobicContact CG2-CB 4.42Å; T259-L263 WeakPolarHBondContact CG2-O 3.45Å; T259-L263 PolarHBondContact N-O 2.77Å; T259-L263 PolarHBondContact OG1-N 3.44Å; T259-L263 PolarHBondContact OG1-O 2.91Å; T261-L263 VanDerWaalsContact C-N 3.33Å; T261-L263 PolarHBondContact O-N 3.08Å; L263-W301 HydrophobicContact CD1-CE3 3.89Å; L263-W301 HydrophobicContact CD1-CZ3 3.9Å; L263-W301 HydrophobicContact CD2-CB 4.25Å; L263-W301 HydrophobicContact CD2-CE3 4Å; L263-W301 HydrophobicContact CG-CE3 3.79Å; L263-W301 HydrophobicContact CG-CZ3 4.24Å; L263-F333 HydrophobicContact CD2-CE2 4.07Å; L263-F333 HydrophobicContact CD2-CZ 3.74Å; L263-N343 HydrophobicContact CD1-CB 3.66Å; L263-Y344 HydrophobicContact CD1-CE2 4.23Å
264V91.1Very high87.3Confident0 Ų046.4 Ų46.40%023%0.232CC..EExtended strand (participates in β ladder)trans-117.2127.1-178.4-173.60000109.8E256 H267 Y269 W296 V299E256-V264 HydrophobicContact CB-CG1 3.98Å; E256-V264 HydrophobicContact CG-CG1 4.49Å; V264-H267 HydrophobicContact CB-CB 3.95Å; V264-H267 HydrophobicContact CG1-CB 3.71Å; V264-Y269 WeakPolarHBondContact CB-OH 3.22Å; V264-Y269 WeakPolarHBondContact CG2-OH 3.4Å; V264-Y269 PolarHBondContact N-OH 2.61Å; V264-W296 HydrophobicContact CB-CH2 4.5Å; V264-W296 HydrophobicContact CG1-CH2 3.84Å; V264-W296 HydrophobicContact CG1-CZ2 4.22Å; V264-W296 HydrophobicContact CG2-CE3 4.35Å; V264-W296 HydrophobicContact CG2-CH2 3.88Å; V264-W296 HydrophobicContact CG2-CZ3 3.7Å; V264-V299 HydrophobicContact CG2-CG1 4.36Å
265K90.1Very high89.1Confident79 Ų7938.4 Ų38.434%0.34321%0.205SC..EExtended strand (participates in β ladder)trans-88.5148.4176-59.1-172.4176.8-178.70111.6I247 E256 T257 T259 H267I247-K265 HydrophobicContact CB-CG 4.42Å; I247-K265 HydrophobicContact CG2-CB 4.46Å; I247-K265 HydrophobicContact CG2-CD 4.45Å; I247-K265 HydrophobicContact CG2-CG 3.86Å; E256-K265 CarbonylContact C-O 3.38Å; E256-K265 WeakPolarHBondContact CA-O 3.34Å; E256-K265 PolarHBondContact N-O 2.9Å; E256-K265 VanDerWaalsContact N-O 3.08Å; T257-K265 PolarHBondContact N-O 3.34Å; T257-K265 PolarHBondContact O-N 3.06Å; T259-K265 HydrophobicContact CG2-CD 4.36Å; T259-K265 HydrophobicContact CG2-CG 4Å; K265-H267 VanDerWaalsContact C-N 3.29Å
266G85.8Confident90.6Very high27 Ų2734.4 Ų34.428%0.27819%0.188SC..THydrogen-bonded Turntrans67.932.1-174.700000112.2I247I247-G266 PolarHBondContact O-N 2.81Å
267H88.7Confident91.4Very high4 Ų431.5 Ų31.52%0.01918%0.175CC..  trans-137.1146.9-172.1-171.261.6000110.9Q104 C110 S246 V264 K265 Y269 N294 P295 W296Q104-H267 PolarHBondContact OE1-CE1 3.36Å; C110-H267 WeakPolarHBondContact CB-CE1 3.49Å; C110-H267 WeakPolarHBondContact CB-ND1 3.34Å; C110-H267 PolarHBondContact SG-ND1 3.17Å; C110-H267 VanDerWaalsContact SG-ND1 3.39Å; S246-H267 WeakPolarHBondContact CB-O 3.47Å; V264-H267 HydrophobicContact CB-CB 3.95Å; V264-H267 HydrophobicContact CG1-CB 3.71Å; K265-H267 VanDerWaalsContact C-N 3.29Å; H267-Y269 HydrophobicContact CB-CE2 4.34Å; H267-Y269 AromaticContact CD2-CE2 3.61Å; H267-Y269 AromaticContact CD2-CZ 3.83Å; H267-N294 PolarHBondContact NE2-OD1 3.07Å; H267-P295 WeakPolarHBondContact NE2-CD 3.47Å; H267-W296 AromaticContact CE1-CD1 3.62Å; H267-W296 AromaticContact CE1-CE2 3.79Å; H267-W296 AromaticContact CE1-NE1 3.24Å; H267-W296 PolarHBondContact CE1-NE1 3.37Å; H267-W296 AromaticContact ND1-NE1 4Å; H267-W296 AromaticContact NE2-CD1 3.95Å; H267-W296 AromaticContact NE2-NE1 3.85Å
268A91.8Very high91.5Very high5 Ų534 Ų344%0.04118%0.181CC..EExtended strand (participates in β ladder)trans-94.3138.4177.300000111W111 A114 P295W111-A268 HydrophobicContact CB-CB 4.39Å; A114-A268 HydrophobicContact CB-CB 3.85Å; A268-P295 WeakPolarHBondContact O-CD 3.26Å; A268-P295 VanDerWaalsContact O-CG 3.3Å; A268-P295 WeakPolarHBondContact O-CG 3.39Å
269Y95.1Very high90.6Very high0 Ų028.4 Ų28.40%016%0.164CC..EExtended strand (participates in β ladder)trans-122.1148.3173.9-72.1-99.1000109.4G244 C245 V264 H267 R293 N294 F333 Y344G244-Y269 CarbonylContact C-O 3.57Å; G244-Y269 VanDerWaalsContact CA-O 3.28Å; G244-Y269 WeakPolarHBondContact CA-O 3.42Å; C245-Y269 PolarHBondContact N-O 3.38Å; C245-Y269 PolarHBondContact O-N 2.92Å; V264-Y269 WeakPolarHBondContact CB-OH 3.22Å; V264-Y269 WeakPolarHBondContact CG2-OH 3.4Å; V264-Y269 PolarHBondContact N-OH 2.61Å; H267-Y269 HydrophobicContact CB-CE2 4.34Å; H267-Y269 AromaticContact CD2-CE2 3.61Å; H267-Y269 AromaticContact CD2-CZ 3.83Å; Y269-R293 WeakPolarHBondContact CA-O 3.38Å; Y269-N294 HydrophobicContact CD1-CB 4.06Å; Y269-N294 HydrophobicContact CE1-CB 3.64Å; Y269-F333 HydrophobicContact CD1-CE1 4.42Å; Y269-F333 HydrophobicContact CD1-CZ 4.29Å; Y269-F333 HydrophobicContact CE1-CE1 4.08Å; Y269-F333 HydrophobicContact CE1-CZ 4.05Å; Y269-Y344 AromaticContact CD2-CE1 3.82Å; Y269-Y344 HydrophobicContact CD2-CE1 3.82Å; Y269-Y344 HydrophobicContact CE2-CE1 4.37Å; Y269-Y344 HydrophobicContact CG-CE1 4.14Å
270S95.3Very high89.7Confident0 Ų029 Ų290%017%0.169CC..EExtended strand (participates in β ladder)trans-87.7138.4171.1-51.40000109.8A114 A117 C118 L292 R293A114-S270 WeakPolarHBondContact CA-OG 3.43Å; A114-S270 PolarHBondContact O-OG 3.09Å; A117-S270 WeakPolarHBondContact CB-OG 3.39Å; C118-S270 VanDerWaalsContact SG-CB 3.51Å; S270-L292 CarbonylContact O-C 3.57Å; S270-L292 WeakPolarHBondContact O-CA 3.45Å; S270-R293 PolarHBondContact N-O 3.25Å; S270-R293 PolarHBondContact O-N 3.32Å
271V96Very high88.3Confident0 Ų032 Ų320%017%0.174CC..EExtended strand (participates in β ladder)trans-92.7111.5164.8-174.10000107.9M233 M243 C245 V290 L292M233-V271 HydrophobicContact CE-CG1 3.91Å; M243-V271 HydrophobicContact CB-CB 3.84Å; M243-V271 HydrophobicContact CB-CG2 4.24Å; M243-V271 HydrophobicContact CE-CB 4.09Å; M243-V271 HydrophobicContact CE-CG1 3.71Å; M243-V271 PolarHBondContact O-N 2.68Å; C245-V271 HydrophobicContact CB-CG2 4.24Å; V271-V290 HydrophobicContact CG1-CG1 3.74Å; V271-L292 HydrophobicContact CB-CD2 4.16Å; V271-L292 HydrophobicContact CG1-CD2 4.27Å; V271-L292 HydrophobicContact CG2-CD2 3.67Å
272T93.7Very high86.7Confident8 Ų839.1 Ų39.15%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-103.8-19-170.366.20000114L121 R291 R293 E332L121-T272 HydrophobicContact CD1-CG2 4.28Å; T272-R291 PolarHBondContact N-O 3.18Å; T272-R291 WeakPolarHBondContact OG1-CG 3.26Å; T272-R291 PolarHBondContact OG1-NE 3.18Å; T272-R293 HydrophobicContact CG2-CB 3.84Å; T272-E332 WeakPolarHBondContact CB-OE1 3.4Å; T272-E332 PolarHBondContact OG1-OE1 2.73Å
273A94.2Very high85.2Confident19 Ų1946 Ų4616%0.15723%0.234CC..EExtended strand (participates in β ladder)trans-162.7162.117200000111.9R291 W334A273-R291 HydrophobicContact CB-CB 3.89Å; A273-R291 PolarHBondContact O-N 3.42Å; A273-W334 HydrophobicContact CB-CH2 3.8Å; A273-W334 HydrophobicContact CB-CZ2 4.24Å
274V95.1Very high83.6Confident28 Ų2854.4 Ų54.417%0.1727%0.273CS..EExtended strand (participates in β ladder)trans-128144.8162.1-61.30000109.2Y230 M233 K234 L237 L289 V290Y230-V274 HydrophobicContact CE2-CB 4.05Å; Y230-V274 HydrophobicContact CE2-CG1 4.38Å; M233-V274 HydrophobicContact CB-CG1 4.24Å; M233-V274 HydrophobicContact CE-CG1 4.02Å; K234-V274 HydrophobicContact CB-CG2 3.74Å; K234-V274 HydrophobicContact CG-CG2 3.99Å; L237-V274 HydrophobicContact CD1-CB 4.35Å; L237-V274 HydrophobicContact CD1-CG1 3.96Å; L237-V274 HydrophobicContact CD1-CG2 3.95Å; V274-L289 WeakPolarHBondContact CA-O 3.42Å; V274-V290 HydrophobicContact CG1-CG1 4.45Å; V274-V290 HydrophobicContact CG1-CG2 4.44Å
275G93.1Very high82.8Confident10 Ų1060.8 Ų60.810%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-150.5149.9-171.700000112.7Y230 L289Y230-G275 VanDerWaalsContact OH-C 3.24Å; Y230-G275 PolarHBondContact OH-N 2.92Å; Y230-G275 PolarHBondContact OH-O 3.4Å; G275-L289 PolarHBondContact N-O 2.66Å; G275-L289 PolarHBondContact O-N 3.16Å
276E92.1Very high82.5Confident59 Ų5962.9 Ų62.928%0.27632%0.317SS..EExtended strand (participates in β ladder)trans-116.5136.7173-65-176.3166.500109.9Y230 K286 V287 R288Y230-E276 HydrophobicContact CE1-CG 4.23Å; E276-K286 HydrophobicContact CB-CD 4.42Å; E276-K286 VanDerWaalsContact OE2-CD 3.23Å; E276-K286 WeakPolarHBondContact OE2-CD 3.33Å; E276-K286 IonicContact OE2-NZ 3.38Å; E276-K286 PolarHBondContact OE2-NZ 2.84Å; E276-V287 VanDerWaalsContact CA-O 3.32Å; E276-V287 WeakPolarHBondContact CA-O 3.5Å; E276-R288 HydrophobicContact CG-CG 4.27Å; E276-R288 IonicContact OE1-NE 2.91Å
277C88.7Confident82.8Confident4 Ų463.4 Ų63.43%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-135.2158.3174.468.90000112K286 V287 L315 L323C277-K286 WeakPolarHBondContact O-CA 3.45Å; C277-V287 PolarHBondContact N-O 2.87Å; C277-V287 PolarHBondContact O-N 3.44Å; C277-L315 HydrophobicContact CB-CD1 4.38Å; C277-L315 HydrophobicContact CB-CD2 3.71Å; C277-L323 HydrophobicContact CB-CD1 4.04Å
278K84.7Confident83.1Confident109 Ų10968.7 Ų68.747%0.47433%0.334SS..  trans-107.8108.4172.4-71.5-173.4176.4-174.50108.8S280 K286K278-S280 PolarHBondContact O-N 2.95Å; K278-S280 VanDerWaalsContact O-N 3.14Å; K278-K286 HydrophobicContact CG-CG 3.93Å
279P70.5Confident83.3Confident30 Ų3068.5 Ų68.520%0.19533%0.332CS..SBendtrans-66.3-15.9-174.5-2030.6000114.8V287 W305 N314P279-V287 HydrophobicContact CG-CB 4.34Å; P279-V287 HydrophobicContact CG-CG2 3.43Å; P279-V287 VanDerWaalsContact CG-CG2 3.43Å; P279-W305 HydrophobicContact CG-CH2 4.48Å; P279-W305 HydrophobicContact CG-CZ2 4.32Å; P279-N314 WeakPolarHBondContact O-CB 3.34Å
280S69.3Low83.4Confident44 Ų4468.5 Ų68.531%0.30833%0.332SS..  trans-158.9147.1175.3170.60000109.7K278 Q282 K283K278-S280 PolarHBondContact O-N 2.95Å; K278-S280 VanDerWaalsContact O-N 3.14Å; S280-Q282 PolarHBondContact O-N 3.44Å; S280-Q282 PolarHBondContact OG-N 3.17Å; S280-K283 PolarHBondContact O-N 2.8Å
281Q62.2Low83.5Confident207 Ų20769.1 Ų69.197%0.96734%0.335SS*.THydrogen-bonded Turntrans-63.3-19.2173.4-67.5-165.9-7.900113.2
282Q57.6Low83.5Confident186 Ų18669.1 Ų69.187%0.86934%0.335SS*.THydrogen-bonded Turntrans-87.8-11.9-179.9-65.9-179.5-9.700114.1S280S280-Q282 PolarHBondContact O-N 3.44Å; S280-Q282 PolarHBondContact OG-N 3.17Å
283K60.2Low83.6Confident145 Ų14568.8 Ų68.863%0.6333%0.333SS*.  trans-105.4120.4176.8-76.3-175.5176-179.90109.4S280 N285S280-K283 PolarHBondContact O-N 2.8Å; K283-N285 VanDerWaalsContact C-N 3.29Å; K283-N285 PolarHBondContact O-N 3.19Å
284E59.8Low83.5Confident179 Ų17967.9 Ų67.984%0.83633%0.325SS*.  trans-69.3-27.1178.4-71.3-171.1151.800113.1K286E284-K286 PolarHBondContact O-N 3.49Å
285N74.6Confident83.2Confident134 Ų13466.6 Ų66.672%0.71732%0.317SS*.PPolyproline II helixtrans-75.9116.8-174.5-69.3-8.7000112K283K283-N285 VanDerWaalsContact C-N 3.29Å; K283-N285 PolarHBondContact O-N 3.19Å
286K85.3Confident82.8Confident122 Ų12268.6 Ų68.653%0.5332%0.322SS..PPolyproline II helixtrans-67.1143.2167.8-64.7179.4173.6-177.60110.4E276 C277 K278 E284E276-K286 HydrophobicContact CB-CD 4.42Å; E276-K286 VanDerWaalsContact OE2-CD 3.23Å; E276-K286 WeakPolarHBondContact OE2-CD 3.33Å; E276-K286 IonicContact OE2-NZ 3.38Å; E276-K286 PolarHBondContact OE2-NZ 2.84Å; C277-K286 WeakPolarHBondContact O-CA 3.45Å; K278-K286 HydrophobicContact CG-CG 3.93Å; E284-K286 PolarHBondContact O-N 3.49Å
287V90.8Very high82.5Confident38 Ų3866.4 Ų66.423%0.2332%0.315CS..EExtended strand (participates in β ladder)trans-96.9131.4169.7-179.20000108.4E276 C277 P279 L289 W305E276-V287 VanDerWaalsContact CA-O 3.32Å; E276-V287 WeakPolarHBondContact CA-O 3.5Å; C277-V287 PolarHBondContact N-O 2.87Å; C277-V287 PolarHBondContact O-N 3.44Å; P279-V287 HydrophobicContact CG-CB 4.34Å; P279-V287 HydrophobicContact CG-CG2 3.43Å; P279-V287 VanDerWaalsContact CG-CG2 3.43Å; V287-L289 HydrophobicContact CG1-CD2 3.72Å; V287-L289 HydrophobicContact CG1-CG 4.35Å; V287-W305 HydrophobicContact CB-CZ2 4.49Å; V287-W305 HydrophobicContact CG1-CZ2 4.21Å
288R95Very high82.5Confident116 Ų11671.4 Ų71.444%0.43834%0.338SS..EExtended strand (participates in β ladder)trans-91.2127.3173.5-70.7174.7178.7171.62.5108.9Y230 E276 F337Y230-R288 HydrophobicContact CD1-CG 4.04Å; Y230-R288 HydrophobicContact CD2-CB 4.08Å; Y230-R288 HydrophobicContact CD2-CG 4.42Å; Y230-R288 HydrophobicContact CE1-CB 4.17Å; Y230-R288 HydrophobicContact CE1-CG 3.7Å; Y230-R288 HydrophobicContact CE2-CB 3.66Å; Y230-R288 HydrophobicContact CE2-CG 4.13Å; Y230-R288 HydrophobicContact CG-CG 4.37Å; E276-R288 HydrophobicContact CG-CG 4.27Å; E276-R288 IonicContact OE1-NE 2.91Å; R288-F337 HydrophobicContact CB-CB 3.88Å; R288-F337 PolarHBondContact O-N 2.94Å
289L96.6Very high82.7Confident0 Ų067.2 Ų67.20%032%0.321CS..EExtended strand (participates in β ladder)trans-121149-176.9-57.4178.9000110.5V274 G275 V287 W305 W312 L323 W334 M335V274-L289 WeakPolarHBondContact CA-O 3.42Å; G275-L289 PolarHBondContact N-O 2.66Å; G275-L289 PolarHBondContact O-N 3.16Å; V287-L289 HydrophobicContact CG1-CD2 3.72Å; V287-L289 HydrophobicContact CG1-CG 4.35Å; L289-W305 HydrophobicContact CD1-CD2 4.29Å; L289-W305 HydrophobicContact CD1-CE3 4.11Å; L289-W305 HydrophobicContact CD1-CZ3 4.39Å; L289-W305 HydrophobicContact CD2-CB 4.38Å; L289-W305 HydrophobicContact CD2-CD2 3.7Å; L289-W305 HydrophobicContact CD2-CE3 4.35Å; L289-W305 HydrophobicContact CD2-CG 3.69Å; L289-W305 HydrophobicContact CD2-CZ2 4.45Å; L289-W312 HydrophobicContact CD1-CH2 4.33Å; L289-L323 HydrophobicContact CD1-CD1 3.95Å; L289-W334 HydrophobicContact CB-CD2 4.49Å; L289-W334 HydrophobicContact CB-CE3 3.48Å; L289-W334 VanDerWaalsContact CB-CE3 3.48Å; L289-W334 HydrophobicContact CB-CZ3 3.76Å; L289-W334 HydrophobicContact CD1-CE3 4.4Å; L289-M335 WeakPolarHBondContact CA-O 3.16Å
290V97.3Very high83.8Confident0 Ų066.8 Ų66.80%032%0.317CS..EExtended strand (participates in β ladder)trans-124.3129.9173.9-1740000107.9M233 V271 V274 L292 W334 M335 F337 F340M233-V290 HydrophobicContact CE-CG1 3.93Å; M233-V290 HydrophobicContact CE-CG2 4.23Å; V271-V290 HydrophobicContact CG1-CG1 3.74Å; V274-V290 HydrophobicContact CG1-CG1 4.45Å; V274-V290 HydrophobicContact CG1-CG2 4.44Å; V290-L292 HydrophobicContact CG1-CD2 3.75Å; V290-L292 HydrophobicContact CG1-CG 4.15Å; V290-W334 VanDerWaalsContact C-CE3 3.42Å; V290-W334 WeakPolarHBondContact O-CA 3.42Å; V290-M335 PolarHBondContact N-O 2.82Å; V290-M335 PolarHBondContact O-N 2.82Å; V290-F337 HydrophobicContact CG2-CB 4.32Å; V290-F337 HydrophobicContact CG2-CD2 3.78Å; V290-F340 HydrophobicContact CG2-CB 4.34Å; V290-F340 HydrophobicContact CG2-CD1 4.26Å; V290-F340 HydrophobicContact CG2-CG 4.29Å
291R96.9Very high85.1Confident13 Ų1365.3 Ų65.35%0.04930%0.304CS..EExtended strand (participates in β ladder)trans-96.4126.7172.9-163.8171.862-175.2-4.8109.1T272 A273 E332 F333 W334T272-R291 PolarHBondContact N-O 3.18Å; T272-R291 WeakPolarHBondContact OG1-CG 3.26Å; T272-R291 PolarHBondContact OG1-NE 3.18Å; A273-R291 HydrophobicContact CB-CB 3.89Å; A273-R291 PolarHBondContact O-N 3.42Å; R291-E332 VanDerWaalsContact CD-CD 3.41Å; R291-E332 WeakPolarHBondContact CD-OE2 3.48Å; R291-E332 HydrophobicContact CG-CG 3.64Å; R291-E332 IonicContact CZ-OE1 2.8Å; R291-E332 IonicContact CZ-OE2 3.99Å; R291-E332 IonicContact NE-OE1 3.37Å; R291-E332 PolarHBondContact NE-OE1 2.71Å; R291-E332 IonicContact NE-OE2 3.99Å; R291-E332 PolarHBondContact NE-OE2 3.17Å; R291-E332 IonicContact NH1-OE2 3.51Å; R291-F333 WeakPolarHBondContact CA-O 3.27Å; R291-W334 HydrophobicContact CB-CD2 3.7Å; R291-W334 HydrophobicContact CB-CE3 3.7Å; R291-W334 HydrophobicContact CB-CG 4.4Å; R291-W334 HydrophobicContact CB-CH2 3.81Å; R291-W334 HydrophobicContact CB-CZ2 3.77Å; R291-W334 HydrophobicContact CB-CZ3 3.78Å; R291-W334 HydrophobicContact CG-CD2 4.02Å; R291-W334 HydrophobicContact CG-CG 4.31Å; R291-W334 HydrophobicContact CG-CZ2 4.18Å
292L96.4Very high86.6Confident0 Ų059.9 Ų59.90%028%0.282CS..EExtended strand (participates in β ladder)trans-122.7151-176.9-59.8176.2000109.2S270 V271 V290 E332 F333 M335 F340 Y344S270-L292 CarbonylContact O-C 3.57Å; S270-L292 WeakPolarHBondContact O-CA 3.45Å; V271-L292 HydrophobicContact CB-CD2 4.16Å; V271-L292 HydrophobicContact CG1-CD2 4.27Å; V271-L292 HydrophobicContact CG2-CD2 3.67Å; V290-L292 HydrophobicContact CG1-CD2 3.75Å; V290-L292 HydrophobicContact CG1-CG 4.15Å; L292-E332 CarbonylContact O-C 3.25Å; L292-E332 VanDerWaalsContact O-CA 3.29Å; L292-E332 WeakPolarHBondContact O-CA 3.32Å; L292-F333 HydrophobicContact CB-CD2 4.41Å; L292-F333 HydrophobicContact CB-CE2 3.88Å; L292-F333 HydrophobicContact CB-CZ 3.94Å; L292-F333 HydrophobicContact CD1-CE2 3.96Å; L292-F333 HydrophobicContact CD1-CZ 4.35Å; L292-F333 HydrophobicContact CG-CE2 4.42Å; L292-F333 PolarHBondContact N-O 3.05Å; L292-F333 PolarHBondContact O-N 2.97Å; L292-M335 HydrophobicContact CD1-CG 4.3Å; L292-M335 HydrophobicContact CD1-SD 3.57Å; L292-M335 VanDerWaalsContact CD1-SD 3.57Å; L292-F340 HydrophobicContact CD1-CD2 3.88Å; L292-F340 HydrophobicContact CD1-CE2 4.13Å; L292-F340 HydrophobicContact CD2-CD2 4.43Å; L292-F340 HydrophobicContact CD2-CE2 4.05Å; L292-Y344 HydrophobicContact CD1-CD2 4.4Å; L292-Y344 HydrophobicContact CD1-CE1 4.35Å; L292-Y344 HydrophobicContact CD1-CE2 3.48Å; L292-Y344 VanDerWaalsContact CD1-CE2 3.48Å; L292-Y344 VanDerWaalsContact CD1-CZ 3.45Å; L292-Y344 VanDerWaalsContact CD1-OH 3.26Å; L292-Y344 WeakPolarHBondContact CD1-OH 3.41Å
293R94.9Very high88.3Confident2 Ų251.7 Ų51.71%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-126.9128.8172.9-173.1176.3-178.1-86.5-7.7111.6R99 I102 Y269 S270 T272 G331 E332R99-R293 PolarHBondContact O-NE 3.13Å; R99-R293 PolarHBondContact O-NH1 3.08Å; R99-R293 PolarHBondContact O-NH2 3.08Å; I102-R293 PolarHBondContact O-NH1 3.32Å; I102-R293 VanDerWaalsContact O-NH1 3.09Å; I102-R293 PolarHBondContact O-NH2 3.42Å; Y269-R293 WeakPolarHBondContact CA-O 3.38Å; S270-R293 PolarHBondContact N-O 3.25Å; S270-R293 PolarHBondContact O-N 3.32Å; T272-R293 HydrophobicContact CG2-CB 3.84Å; R293-G331 CarbonylContact C-O 3.52Å; R293-G331 WeakPolarHBondContact CA-O 3.44Å; R293-E332 HydrophobicContact CB-CB 4.36Å; R293-E332 HydrophobicContact CG-CB 4.26Å
294N93.1Very high90Very high0 Ų047.3 Ų47.30%023%0.234CC..  trans-78.3119.2167.3-170.4-13.7000109.4H267 Y269 W296 G297 Q298 V299 G331H267-N294 PolarHBondContact NE2-OD1 3.07Å; Y269-N294 HydrophobicContact CD1-CB 4.06Å; Y269-N294 HydrophobicContact CE1-CB 3.64Å; N294-W296 PolarHBondContact O-N 3.27Å; N294-W296 WeakPolarHBondContact OD1-CB 3.38Å; N294-W296 PolarHBondContact OD1-N 2.92Å; N294-W296 VanDerWaalsContact OD1-N 3.12Å; N294-G297 PolarHBondContact O-N 2.67Å; N294-Q298 PolarHBondContact ND2-O 3.02Å; N294-V299 PolarHBondContact ND2-O 3.21Å; N294-G331 PolarHBondContact N-O 3.31Å
295P87.6Confident91.6Very high0 Ų039.6 Ų39.60%020%0.197CC..THydrogen-bonded Turntrans-65.2-6.3178.727.5-36.6000114.4C103 Q104 C110 L113 A114 H267 A268 G297C103-P295 WeakPolarHBondContact CA-O 3.19Å; Q104-P295 PolarHBondContact N-O 3.42Å; C110-P295 HydrophobicContact CB-CG 4.25Å; L113-P295 HydrophobicContact CB-CB 3.73Å; A114-P295 HydrophobicContact CB-CG 4.31Å; H267-P295 WeakPolarHBondContact NE2-CD 3.47Å; A268-P295 WeakPolarHBondContact O-CD 3.26Å; A268-P295 VanDerWaalsContact O-CG 3.3Å; A268-P295 WeakPolarHBondContact O-CG 3.39Å; P295-G297 PolarHBondContact O-N 3.27Å
296W86.2Confident92.6Very high53 Ų5333.4 Ų33.420%0.20117%0.165CC..THydrogen-bonded Turntrans-66.8-20167.3-67.6-3.8000113E256 V264 H267 N294 Q298 V299E256-W296 HydrophobicContact CB-CH2 4.3Å; E256-W296 HydrophobicContact CB-CZ2 3.98Å; E256-W296 HydrophobicContact CG-CZ2 4.06Å; V264-W296 HydrophobicContact CB-CH2 4.5Å; V264-W296 HydrophobicContact CG1-CH2 3.84Å; V264-W296 HydrophobicContact CG1-CZ2 4.22Å; V264-W296 HydrophobicContact CG2-CE3 4.35Å; V264-W296 HydrophobicContact CG2-CH2 3.88Å; V264-W296 HydrophobicContact CG2-CZ3 3.7Å; H267-W296 AromaticContact CE1-CD1 3.62Å; H267-W296 AromaticContact CE1-CE2 3.79Å; H267-W296 AromaticContact CE1-NE1 3.24Å; H267-W296 PolarHBondContact CE1-NE1 3.37Å; H267-W296 AromaticContact ND1-NE1 4Å; H267-W296 AromaticContact NE2-CD1 3.95Å; H267-W296 AromaticContact NE2-NE1 3.85Å; N294-W296 PolarHBondContact O-N 3.27Å; N294-W296 WeakPolarHBondContact OD1-CB 3.38Å; N294-W296 PolarHBondContact OD1-N 2.92Å; N294-W296 VanDerWaalsContact OD1-N 3.12Å; W296-Q298 HydrophobicContact CB-CG 4.07Å; W296-Q298 PolarHBondContact O-N 2.87Å; W296-V299 HydrophobicContact CE3-CB 4.11Å; W296-V299 HydrophobicContact CE3-CG2 4.16Å; W296-V299 HydrophobicContact CZ3-CB 4.46Å; W296-V299 HydrophobicContact CZ3-CG1 4.5Å; W296-V299 HydrophobicContact CZ3-CG2 4.42Å
297G85.6Confident92.9Very high13 Ų1328.4 Ų28.413%0.13414%0.143CC..SBendtrans70.618-173.400000113.7N294 P295 D330N294-G297 PolarHBondContact O-N 2.67Å; P295-G297 PolarHBondContact O-N 3.27Å; G297-D330 CarbonylContact C-O 3.53Å; G297-D330 VanDerWaalsContact CA-O 3.27Å; G297-D330 WeakPolarHBondContact CA-O 3.29Å; G297-D330 CarbonylContact O-C 3.58Å; G297-D330 VanDerWaalsContact O-C 3.28Å; G297-D330 WeakPolarHBondContact O-CA 3.38Å
298Q87.2Confident92.9Very high109 Ų10932.7 Ų32.751%0.50917%0.165SC..  trans-165175.8-179.555.5178.7-0.100108.5N294 W296 E329N294-Q298 PolarHBondContact ND2-O 3.02Å; W296-Q298 HydrophobicContact CB-CG 4.07Å; W296-Q298 PolarHBondContact O-N 2.87Å; Q298-E329 HydrophobicContact CB-CG 4.27Å
299V89.9Confident92.8Very high21 Ų2127.9 Ų27.913%0.12715%0.15CC..  trans64.492.9179.2-1780000111.6R258 G262 V264 N294 W296 E329R258-V299 HydrophobicContact CG-CG1 4.49Å; G262-V299 WeakPolarHBondContact O-CG1 3.1Å; V264-V299 HydrophobicContact CG2-CG1 4.36Å; N294-V299 PolarHBondContact ND2-O 3.21Å; W296-V299 HydrophobicContact CE3-CB 4.11Å; W296-V299 HydrophobicContact CE3-CG2 4.16Å; W296-V299 HydrophobicContact CZ3-CB 4.46Å; W296-V299 HydrophobicContact CZ3-CG1 4.5Å; W296-V299 HydrophobicContact CZ3-CG2 4.42Å; V299-E329 WeakPolarHBondContact CA-OE1 3.42Å; V299-E329 PolarHBondContact N-OE1 3.29Å
300E93.8Very high92.6Very high20 Ų2036.7 Ų36.79%0.09319%0.188CC..  trans-112.5169.3-172-64.7170.6-163.300113.7G262 A328 E329 D330 G331 F333G262-E300 WeakPolarHBondContact CA-O 3.22Å; E300-A328 VanDerWaalsContact OE1-O 3.12Å; E300-E329 VanDerWaalsContact OE1-CA 3.31Å; E300-E329 WeakPolarHBondContact OE1-CA 3.17Å; E300-D330 PolarHBondContact OE1-N 3.36Å; E300-G331 WeakPolarHBondContact OE1-CA 3.37Å; E300-G331 PolarHBondContact OE1-N 3.17Å; E300-F333 HydrophobicContact CB-CB 4.39Å; E300-F333 HydrophobicContact CB-CD1 3.83Å; E300-F333 HydrophobicContact CB-CG 4.39Å; E300-F333 HydrophobicContact CG-CD1 3.95Å
301W95.6Very high92.3Very high13 Ų1340 Ų405%0.04920%0.203CC..  trans-61.1132.9168.9170.2-112.5000111T261 L263 G303 P304 S306 F333 M335 D339T261-W301 VanDerWaalsContact CB-CZ3 3.4Å; T261-W301 HydrophobicContact CG2-CH2 4.3Å; T261-W301 HydrophobicContact CG2-CZ3 3.9Å; L263-W301 HydrophobicContact CD1-CE3 3.89Å; L263-W301 HydrophobicContact CD1-CZ3 3.9Å; L263-W301 HydrophobicContact CD2-CB 4.25Å; L263-W301 HydrophobicContact CD2-CE3 4Å; L263-W301 HydrophobicContact CG-CE3 3.79Å; L263-W301 HydrophobicContact CG-CZ3 4.24Å; W301-G303 PolarHBondContact NE1-O 3.41Å; W301-P304 PolarHBondContact NE1-O 2.8Å; W301-S306 WeakPolarHBondContact O-CB 3.47Å; W301-F333 HydrophobicContact CB-CB 4.39Å; W301-F333 HydrophobicContact CB-CD1 4.28Å; W301-F333 HydrophobicContact CB-CD2 3.27Å; W301-F333 HydrophobicContact CB-CE1 4.42Å; W301-F333 HydrophobicContact CB-CE2 3.43Å; W301-F333 VanDerWaalsContact CB-CE2 3.43Å; W301-F333 HydrophobicContact CB-CG 3.73Å; W301-F333 HydrophobicContact CB-CZ 4.02Å; W301-F333 HydrophobicContact CG-CD2 4.1Å; W301-F333 HydrophobicContact CG-CE2 4.3Å; W301-M335 HydrophobicContact CD2-CE 3.84Å; W301-M335 HydrophobicContact CE3-CE 3.87Å; W301-M335 HydrophobicContact CG-CE 4.42Å; W301-M335 HydrophobicContact CH2-CE 4.05Å; W301-M335 HydrophobicContact CZ2-CE 4.01Å; W301-M335 HydrophobicContact CZ3-CE 3.96Å; W301-D339 HydrophobicContact CZ2-CB 4.33Å
302N94.3Very high92Very high93 Ų9339.6 Ų39.650%0.49720%0.202SC..  trans-112.113.8179.868.211.8000113.8V260 T261V260-N302 PolarHBondContact O-ND2 2.65Å; V260-N302 VanDerWaalsContact O-ND2 3.15Å; T261-N302 WeakPolarHBondContact CA-OD1 3.38Å; T261-N302 PolarHBondContact O-N 3.27Å; T261-N302 VanDerWaalsContact O-N 3.11Å; T261-N302 PolarHBondContact O-OD1 2.89Å; T261-N302 VanDerWaalsContact O-OD1 3.05Å
303G94.6Very high91.6Very high15 Ų1543.1 Ų43.116%0.15523%0.231CC..SBendtrans-96.3-161.7178.200000113.2W301 W305 S306W301-G303 PolarHBondContact NE1-O 3.41Å; G303-W305 PolarHBondContact O-N 3.47Å; G303-S306 WeakPolarHBondContact O-CB 3.33Å; G303-S306 PolarHBondContact O-N 3.4Å; G303-S306 VanDerWaalsContact O-N 3.14Å; G303-S306 PolarHBondContact O-OG 3.1Å
304P94.5Very high91Very high53 Ų5349.1 Ų49.134%0.34426%0.263SS..THydrogen-bonded Turntrans-53.2136.7177.4-29.236.8000113W301 S306 E311W301-P304 PolarHBondContact NE1-O 2.8Å; P304-S306 PolarHBondContact O-N 3.44Å; P304-E311 WeakPolarHBondContact CB-OE1 3.34Å
305W94.7Very high90.7Very high17 Ų1749.7 Ų49.76%0.06427%0.266CS..THydrogen-bonded Turntrans70.85.7-176.9-55.9100.1000116.4P279 V287 L289 G303 S309 E311 W312 L315 W334P279-W305 HydrophobicContact CG-CH2 4.48Å; P279-W305 HydrophobicContact CG-CZ2 4.32Å; V287-W305 HydrophobicContact CB-CZ2 4.49Å; V287-W305 HydrophobicContact CG1-CZ2 4.21Å; L289-W305 HydrophobicContact CD1-CD2 4.29Å; L289-W305 HydrophobicContact CD1-CE3 4.11Å; L289-W305 HydrophobicContact CD1-CZ3 4.39Å; L289-W305 HydrophobicContact CD2-CB 4.38Å; L289-W305 HydrophobicContact CD2-CD2 3.7Å; L289-W305 HydrophobicContact CD2-CE3 4.35Å; L289-W305 HydrophobicContact CD2-CG 3.69Å; L289-W305 HydrophobicContact CD2-CZ2 4.45Å; G303-W305 PolarHBondContact O-N 3.47Å; W305-S309 PolarHBondContact N-OG 3.37Å; W305-E311 HydrophobicContact CD2-CB 3.84Å; W305-E311 HydrophobicContact CD2-CG 4.44Å; W305-E311 HydrophobicContact CE3-CB 3.85Å; W305-E311 HydrophobicContact CG-CB 4.46Å; W305-E311 HydrophobicContact CH2-CB 4.06Å; W305-E311 HydrophobicContact CZ2-CB 4.06Å; W305-E311 HydrophobicContact CZ3-CB 3.93Å; W305-W312 AromaticContact CE3-CD2 3.96Å; W305-W312 HydrophobicContact CE3-CD2 3.96Å; W305-W312 AromaticContact CE3-CE2 3.83Å; W305-W312 HydrophobicContact CE3-CE3 4.14Å; W305-W312 HydrophobicContact CE3-CH2 4.06Å; W305-W312 AromaticContact CE3-CZ2 3.89Å; W305-W312 HydrophobicContact CE3-CZ2 3.89Å; W305-W312 HydrophobicContact CE3-CZ3 4.17Å; W305-W312 HydrophobicContact CZ3-CD2 4.11Å; W305-W312 AromaticContact CZ3-CE3 3.96Å; W305-W312 HydrophobicContact CZ3-CE3 3.96Å; W305-W312 HydrophobicContact CZ3-CH2 4.46Å; W305-W312 HydrophobicContact CZ3-CZ3 4.13Å; W305-W312 PolarHBondContact O-NE1 2.61Å; W305-L315 HydrophobicContact CH2-CD1 3.85Å; W305-L315 HydrophobicContact CZ3-CD1 3.46Å; W305-L315 VanDerWaalsContact CZ3-CD1 3.46Å; W305-L315 HydrophobicContact CZ3-CG 4.5Å; W305-W334 CarbonylContact C-O 3.58Å; W305-W334 VanDerWaalsContact C-O 3.25Å; W305-W334 HydrophobicContact CB-CB 4.36Å
306S94.4Very high90.7Very high4 Ų452.2 Ų52.23%0.02828%0.284CS..SBendtrans-56.3165.5163.757.20000112.4W301 G303 P304 N308 S309 W312W301-S306 WeakPolarHBondContact O-CB 3.47Å; G303-S306 WeakPolarHBondContact O-CB 3.33Å; G303-S306 PolarHBondContact O-N 3.4Å; G303-S306 VanDerWaalsContact O-N 3.14Å; G303-S306 PolarHBondContact O-OG 3.1Å; P304-S306 PolarHBondContact O-N 3.44Å; S306-N308 VanDerWaalsContact C-N 3.27Å; S306-N308 PolarHBondContact O-N 3.14Å; S306-N308 VanDerWaalsContact O-N 3.16Å; S306-S309 WeakPolarHBondContact O-CB 3.22Å; S306-S309 PolarHBondContact O-N 3.44Å; S306-W312 VanDerWaalsContact O-CD1 3.25Å; S306-W312 PolarHBondContact O-NE1 3.48Å
307D92.1Very high90.8Very high16 Ų1657.4 Ų57.49%0.08631%0.307CS..THydrogen-bonded Turntrans-54.3-38.7-172.3-85.228000114.9H325 Q326 N327 A328D307-H325 PolarHBondContact O-NE2 3.48Å; D307-Q326 VanDerWaalsContact OD2-O 3.04Å; D307-N327 WeakPolarHBondContact OD2-CA 3.34Å; D307-A328 PolarHBondContact OD2-N 3.48Å; D307-A328 VanDerWaalsContact OD2-N 3.11Å
308N91.6Very high90.9Very high128 Ų12860.1 Ų60.168%0.68433%0.329SS*.THydrogen-bonded Turntrans-100.210.6179.366.213.7000113.9S306S306-N308 VanDerWaalsContact C-N 3.27Å; S306-N308 PolarHBondContact O-N 3.14Å; S306-N308 VanDerWaalsContact O-N 3.16Å
309S92.5Very high90.9Very high16 Ų1657.3 Ų57.311%0.11232%0.317CS..  trans-65142.5-175.6-152.40000112.4W305 S306 E311 W312W305-S309 PolarHBondContact N-OG 3.37Å; S306-S309 WeakPolarHBondContact O-CB 3.22Å; S306-S309 PolarHBondContact O-N 3.44Å; S309-E311 WeakPolarHBondContact CB-OE2 3.44Å; S309-E311 PolarHBondContact O-N 3.03Å; S309-E311 PolarHBondContact OG-OE2 2.84Å; S309-W312 PolarHBondContact O-N 2.97Å
310K92.1Very high90.9Very high185 Ų18558.9 Ų58.980%0.80432%0.323SS*.G310 helixtrans-68-18.7-179.8-64.6-179.6-178.9178.10113W312 A313K310-W312 PolarHBondContact O-N 3.31Å; K310-A313 WeakPolarHBondContact O-CB 3.4Å; K310-A313 PolarHBondContact O-N 3.28Å
311E89.8Confident90.7Very high68 Ų6862.7 Ų62.732%0.31834%0.343SS..G310 helixtrans-59.9-30.2179.6-73.679.1165.900111.2P304 W305 S309 A313P304-E311 WeakPolarHBondContact CB-OE1 3.34Å; W305-E311 HydrophobicContact CD2-CB 3.84Å; W305-E311 HydrophobicContact CD2-CG 4.44Å; W305-E311 HydrophobicContact CE3-CB 3.85Å; W305-E311 HydrophobicContact CG-CB 4.46Å; W305-E311 HydrophobicContact CH2-CB 4.06Å; W305-E311 HydrophobicContact CZ2-CB 4.06Å; W305-E311 HydrophobicContact CZ3-CB 3.93Å; S309-E311 WeakPolarHBondContact CB-OE2 3.44Å; S309-E311 PolarHBondContact O-N 3.03Å; S309-E311 PolarHBondContact OG-OE2 2.84Å; E311-A313 VanDerWaalsContact C-N 3.31Å; E311-A313 PolarHBondContact O-N 3.23Å
312W91.1Very high90.5Very high6 Ų669.7 Ų69.72%0.02337%0.374CS..G310 helixtrans-71.3-21.4173.2-62.2113.3000113.6L289 W305 S306 S309 K310 N314 L315 K320 L323 H325 W334L289-W312 HydrophobicContact CD1-CH2 4.33Å; W305-W312 AromaticContact CE3-CD2 3.96Å; W305-W312 HydrophobicContact CE3-CD2 3.96Å; W305-W312 AromaticContact CE3-CE2 3.83Å; W305-W312 HydrophobicContact CE3-CE3 4.14Å; W305-W312 HydrophobicContact CE3-CH2 4.06Å; W305-W312 AromaticContact CE3-CZ2 3.89Å; W305-W312 HydrophobicContact CE3-CZ2 3.89Å; W305-W312 HydrophobicContact CE3-CZ3 4.17Å; W305-W312 HydrophobicContact CZ3-CD2 4.11Å; W305-W312 AromaticContact CZ3-CE3 3.96Å; W305-W312 HydrophobicContact CZ3-CE3 3.96Å; W305-W312 HydrophobicContact CZ3-CH2 4.46Å; W305-W312 HydrophobicContact CZ3-CZ3 4.13Å; W305-W312 PolarHBondContact O-NE1 2.61Å; S306-W312 VanDerWaalsContact O-CD1 3.25Å; S306-W312 PolarHBondContact O-NE1 3.48Å; S309-W312 PolarHBondContact O-N 2.97Å; K310-W312 PolarHBondContact O-N 3.31Å; W312-N314 PolarHBondContact O-N 3.29Å; W312-L315 HydrophobicContact CE3-CD1 3.52Å; W312-L315 HydrophobicContact CZ3-CD1 3.76Å; W312-L315 PolarHBondContact O-N 2.97Å; W312-K320 HydrophobicContact CE3-CG 4.45Å; W312-K320 WeakPolarHBondContact O-CE 3.3Å; W312-K320 PolarHBondContact O-NZ 2.84Å; W312-L323 HydrophobicContact CH2-CD1 4.08Å; W312-L323 HydrophobicContact CZ3-CB 4.5Å; W312-L323 HydrophobicContact CZ3-CD1 3.72Å; W312-H325 AromaticContact CD1-NE2 3.71Å; W312-H325 AromaticContact CD2-CD2 3.8Å; W312-H325 AromaticContact CD2-CG 3.97Å; W312-H325 AromaticContact CD2-NE2 3.97Å; W312-H325 AromaticContact CE2-CD2 3.53Å; W312-H325 AromaticContact CE2-NE2 3.84Å; W312-H325 HydrophobicContact CE3-CB 4.26Å; W312-H325 AromaticContact CE3-CG 3.99Å; W312-H325 AromaticContact CG-NE2 3.92Å; W312-H325 HydrophobicContact CH2-CB 4.25Å; W312-H325 AromaticContact CZ2-CD2 3.75Å; W312-H325 HydrophobicContact CZ3-CB 4.04Å; W312-H325 AromaticContact NE1-CD2 3.81Å; W312-H325 AromaticContact NE1-NE2 3.67Å; W312-W334 HydrophobicContact CH2-CB 4.2Å; W312-W334 AromaticContact CH2-CD1 3.8Å; W312-W334 AromaticContact CH2-CG 3.93Å; W312-W334 HydrophobicContact CH2-CG 3.93Å; W312-W334 HydrophobicContact CZ2-CB 3.79Å; W312-W334 AromaticContact CZ2-CD1 3.79Å; W312-W334 AromaticContact CZ2-CG 3.91Å; W312-W334 HydrophobicContact CZ2-CG 3.91Å
313A87.8Confident90.3Very high74 Ų7465.6 Ų65.661%0.61235%0.352SS*.G310 helixtrans-61.3-32.2-171.300000113K310 E311K310-A313 WeakPolarHBondContact O-CB 3.4Å; K310-A313 PolarHBondContact O-N 3.28Å; E311-A313 VanDerWaalsContact C-N 3.31Å; E311-A313 PolarHBondContact O-N 3.23Å
314N82.3Confident90.2Very high128 Ų12870 Ų7068%0.68437%0.369SS*.G310 helixtrans-96.4-1.1-174.7-62.7-36.6000114.3P279 W312P279-N314 WeakPolarHBondContact O-CB 3.34Å; W312-N314 PolarHBondContact O-N 3.29Å
315L87.3Confident89.8Confident11 Ų1169.6 Ų69.66%0.05836%0.362CS..SBendtrans-82.3143.8177.3-80.7167.9000111.9C277 W305 W312 D319 K320C277-L315 HydrophobicContact CB-CD1 4.38Å; C277-L315 HydrophobicContact CB-CD2 3.71Å; W305-L315 HydrophobicContact CH2-CD1 3.85Å; W305-L315 HydrophobicContact CZ3-CD1 3.46Å; W305-L315 VanDerWaalsContact CZ3-CD1 3.46Å; W305-L315 HydrophobicContact CZ3-CG 4.5Å; W312-L315 HydrophobicContact CE3-CD1 3.52Å; W312-L315 HydrophobicContact CZ3-CD1 3.76Å; W312-L315 PolarHBondContact O-N 2.97Å; L315-D319 HydrophobicContact CD2-CB 4.01Å; L315-K320 HydrophobicContact CB-CG 4.12Å; L315-K320 WeakPolarHBondContact O-CE 3.34Å
316S87.1Confident89.4Confident53 Ų5374.5 Ų74.537%0.37139%0.386SS..  trans-63.6153.617478.80000110.8A318 D319 K320S316-A318 PolarHBondContact O-N 2.87Å; S316-D319 PolarHBondContact O-N 3.21Å; S316-D319 PolarHBondContact OG-N 3.32Å; S316-D319 VanDerWaalsContact OG-N 3.09Å; S316-D319 PolarHBondContact OG-OD2 2.84Å; S316-K320 PolarHBondContact O-N 3.35Å; S316-K320 VanDerWaalsContact O-N 3.08Å
317K87.9Confident89.1Confident162 Ų16280 Ų8070%0.70442%0.415SS*.Hα-helixtrans-57-40.9174.5-174.6177.3177.2-178.80111.5D319 K320 D321K317-D319 VanDerWaalsContact C-N 3.34Å; K317-D319 PolarHBondContact O-N 2.77Å; K317-K320 PolarHBondContact O-N 2.81Å; K317-D321 WeakPolarHBondContact O-CB 3.25Å; K317-D321 PolarHBondContact O-N 2.8Å
318A88.1Confident88.9Confident70 Ų7081 Ų8158%0.57943%0.426SS*.Hα-helixtrans-61.4-39.2177.900000113S316 K322S316-A318 PolarHBondContact O-N 2.87Å; A318-K322 VanDerWaalsContact O-CB 3.29Å; A318-K322 WeakPolarHBondContact O-CB 3.14Å; A318-K322 PolarHBondContact O-N 3.24Å
319D87.8Confident88.7Confident51 Ų5181.2 Ų81.227%0.27342%0.423SS..Hα-helixtrans-69.3-38.4175.9-67.6-50.7000111.8L315 S316 K317 K322 L323L315-D319 HydrophobicContact CD2-CB 4.01Å; S316-D319 PolarHBondContact O-N 3.21Å; S316-D319 PolarHBondContact OG-N 3.32Å; S316-D319 VanDerWaalsContact OG-N 3.09Å; S316-D319 PolarHBondContact OG-OD2 2.84Å; K317-D319 VanDerWaalsContact C-N 3.34Å; K317-D319 PolarHBondContact O-N 2.77Å; D319-K322 PolarHBondContact O-N 3.41Å; D319-L323 WeakPolarHBondContact O-CB 3.29Å; D319-L323 VanDerWaalsContact O-CG 3.31Å; D319-L323 WeakPolarHBondContact O-CG 3.43Å; D319-L323 PolarHBondContact O-N 3.22Å
320K90Very high88.5Confident54 Ų5482 Ų8224%0.23543%0.425CS..Hα-helixtrans-64.5-45175.1-68.4-178.9-175.4-174.30112W312 L315 S316 K317 K322 L323 Q324 H325W312-K320 HydrophobicContact CE3-CG 4.45Å; W312-K320 WeakPolarHBondContact O-CE 3.3Å; W312-K320 PolarHBondContact O-NZ 2.84Å; L315-K320 HydrophobicContact CB-CG 4.12Å; L315-K320 WeakPolarHBondContact O-CE 3.34Å; S316-K320 PolarHBondContact O-N 3.35Å; S316-K320 VanDerWaalsContact O-N 3.08Å; K317-K320 PolarHBondContact O-N 2.81Å; K320-K322 VanDerWaalsContact C-N 3.33Å; K320-K322 PolarHBondContact O-N 3.32Å; K320-L323 CarbonylContact O-C 3.45Å; K320-L323 PolarHBondContact O-N 2.89Å; K320-Q324 PolarHBondContact O-N 2.8Å; K320-H325 HydrophobicContact CB-CB 4.31Å; K320-H325 PolarHBondContact O-N 3Å
321D90.3Very high88.4Confident99 Ų9973.2 Ų73.253%0.52939%0.387SS..Hα-helixtrans-62.9-41.8177.6-65.7-15.1000110.2K317 L323 Q324K317-D321 WeakPolarHBondContact O-CB 3.25Å; K317-D321 PolarHBondContact O-N 2.8Å; D321-L323 VanDerWaalsContact C-N 3.34Å; D321-L323 PolarHBondContact O-N 3.3Å; D321-Q324 PolarHBondContact O-N 3.47Å
322K90.1Very high88.6Confident160 Ų16070.7 Ų70.770%0.69638%0.376SS*.Hα-helixtrans-62.3-38.9175-178.2-177.8178.3-1760112.9A318 D319 K320 Q324A318-K322 VanDerWaalsContact O-CB 3.29Å; A318-K322 WeakPolarHBondContact O-CB 3.14Å; A318-K322 PolarHBondContact O-N 3.24Å; D319-K322 PolarHBondContact O-N 3.41Å; K320-K322 VanDerWaalsContact C-N 3.33Å; K320-K322 PolarHBondContact O-N 3.32Å; K322-Q324 PolarHBondContact O-N 3.06Å
323L91.4Very high88.9Confident8 Ų870.5 Ų70.54%0.04238%0.375CS..THydrogen-bonded Turntrans-81.5-0.7175.3-67.4172.4000112.6C277 L289 W312 D319 K320 D321 H325 W334C277-L323 HydrophobicContact CB-CD1 4.04Å; L289-L323 HydrophobicContact CD1-CD1 3.95Å; W312-L323 HydrophobicContact CH2-CD1 4.08Å; W312-L323 HydrophobicContact CZ3-CB 4.5Å; W312-L323 HydrophobicContact CZ3-CD1 3.72Å; D319-L323 WeakPolarHBondContact O-CB 3.29Å; D319-L323 VanDerWaalsContact O-CG 3.31Å; D319-L323 WeakPolarHBondContact O-CG 3.43Å; D319-L323 PolarHBondContact O-N 3.22Å; K320-L323 CarbonylContact O-C 3.45Å; K320-L323 PolarHBondContact O-N 2.89Å; D321-L323 VanDerWaalsContact C-N 3.34Å; D321-L323 PolarHBondContact O-N 3.3Å; L323-H325 PolarHBondContact O-N 3.26Å; L323-H325 VanDerWaalsContact O-N 3.17Å; L323-W334 HydrophobicContact CB-CZ2 4Å; L323-W334 HydrophobicContact CD2-CH2 3.72Å; L323-W334 HydrophobicContact CD2-CZ2 3.88Å; L323-W334 HydrophobicContact CD2-CZ3 4.22Å; L323-W334 WeakPolarHBondContact O-CZ2 3.45Å; L323-W334 PolarHBondContact O-NE1 3.24Å; L323-W334 VanDerWaalsContact O-NE1 3.11Å
324Q90.9Very high89.3Confident106 Ų10667.4 Ų67.450%0.49535%0.347SS..THydrogen-bonded Turntrans47.743.4-175.5-58.3175-20.200111.3K320 D321 K322 Q326K320-Q324 PolarHBondContact O-N 2.8Å; D321-Q324 PolarHBondContact O-N 3.47Å; K322-Q324 PolarHBondContact O-N 3.06Å; Q324-Q326 PolarHBondContact O-N 2.72Å
325H87.8Confident90Very high46 Ų4661.3 Ų61.321%0.21332%0.315CS..  trans-64.1125.5178.7171.1-117000109.5D307 W312 K320 L323D307-H325 PolarHBondContact O-NE2 3.48Å; W312-H325 AromaticContact CD1-NE2 3.71Å; W312-H325 AromaticContact CD2-CD2 3.8Å; W312-H325 AromaticContact CD2-CG 3.97Å; W312-H325 AromaticContact CD2-NE2 3.97Å; W312-H325 AromaticContact CE2-CD2 3.53Å; W312-H325 AromaticContact CE2-NE2 3.84Å; W312-H325 HydrophobicContact CE3-CB 4.26Å; W312-H325 AromaticContact CE3-CG 3.99Å; W312-H325 AromaticContact CG-NE2 3.92Å; W312-H325 HydrophobicContact CH2-CB 4.25Å; W312-H325 AromaticContact CZ2-CD2 3.75Å; W312-H325 HydrophobicContact CZ3-CB 4.04Å; W312-H325 AromaticContact NE1-CD2 3.81Å; W312-H325 AromaticContact NE1-NE2 3.67Å; K320-H325 HydrophobicContact CB-CB 4.31Å; K320-H325 PolarHBondContact O-N 3Å; L323-H325 PolarHBondContact O-N 3.26Å; L323-H325 VanDerWaalsContact O-N 3.17Å
326Q84.9Confident90.4Very high119 Ų11961.6 Ų61.656%0.55632%0.318SS*.  trans-125.6158.6172.2-59.5-170.91500108D307 Q324D307-Q326 VanDerWaalsContact OD2-O 3.04Å; Q324-Q326 PolarHBondContact O-N 2.72Å
327N88.6Confident90.8Very high120 Ų12059.4 Ų59.464%0.64230%0.302SS*.  trans-120.386.7172178.69.2000106.2D307D307-N327 WeakPolarHBondContact OD2-CA 3.34Å
328A88.6Confident91.2Very high38 Ų3857.5 Ų57.531%0.31430%0.295SS..  trans-147.2138.6-172.800000108.9E300 D307 D330E300-A328 VanDerWaalsContact OE1-O 3.12Å; D307-A328 PolarHBondContact OD2-N 3.48Å; D307-A328 VanDerWaalsContact OD2-N 3.11Å; A328-D330 VanDerWaalsContact C-N 3.32Å; A328-D330 PolarHBondContact O-N 3.45Å
329E87.4Confident91.5Very high132 Ų13255.9 Ų55.962%0.61728%0.277SS*.  trans-82.783.2172.4-174.485.8-15500108.5Q298 V299 E300Q298-E329 HydrophobicContact CB-CG 4.27Å; V299-E329 WeakPolarHBondContact CA-OE1 3.42Å; V299-E329 PolarHBondContact N-OE1 3.29Å; E300-E329 VanDerWaalsContact OE1-CA 3.31Å; E300-E329 WeakPolarHBondContact OE1-CA 3.17Å
330D87.8Confident91.9Very high32 Ų3253.4 Ų53.417%0.17126%0.264CS..SBendtrans-1244.6-178.97012.3000112.9G297 E300 A328 E332G297-D330 CarbonylContact C-O 3.53Å; G297-D330 VanDerWaalsContact CA-O 3.27Å; G297-D330 WeakPolarHBondContact CA-O 3.29Å; G297-D330 CarbonylContact O-C 3.58Å; G297-D330 VanDerWaalsContact O-C 3.28Å; G297-D330 WeakPolarHBondContact O-CA 3.38Å; E300-D330 PolarHBondContact OE1-N 3.36Å; A328-D330 VanDerWaalsContact C-N 3.32Å; A328-D330 PolarHBondContact O-N 3.45Å; D330-E332 VanDerWaalsContact C-N 3.28Å; D330-E332 WeakPolarHBondContact OD1-CA 3.23Å; D330-E332 VanDerWaalsContact OD1-CB 3.23Å; D330-E332 WeakPolarHBondContact OD1-CB 3.46Å; D330-E332 PolarHBondContact OD1-N 2.63Å
331G90Very high92.1Very high0 Ų055 Ų550%027%0.271CS..SBendtrans83.8-6.5-178.600000113.8R293 N294 E300R293-G331 CarbonylContact C-O 3.52Å; R293-G331 WeakPolarHBondContact CA-O 3.44Å; N294-G331 PolarHBondContact N-O 3.31Å; E300-G331 WeakPolarHBondContact OE1-CA 3.37Å; E300-G331 PolarHBondContact OE1-N 3.17Å
332E94.1Very high92.3Very high16 Ų1658.4 Ų58.48%0.07528%0.28CS..EExtended strand (participates in β ladder)trans-92.2134.3176.9-174.2163-96.900111.5R99 T272 R291 L292 R293 D330R99-E332 IonicContact CZ-OE1 3.29Å; R99-E332 IonicContact CZ-OE2 2.7Å; R99-E332 VanDerWaalsContact NE-CD 3.35Å; R99-E332 IonicContact NE-OE1 3.59Å; R99-E332 PolarHBondContact NE-OE1 3.37Å; R99-E332 IonicContact NE-OE2 3.83Å; R99-E332 PolarHBondContact NE-OE2 3.05Å; R99-E332 IonicContact NH2-OE1 3.96Å; R99-E332 IonicContact NH2-OE2 2.78Å; R99-E332 PolarHBondContact NH2-OE2 3.42Å; T272-E332 WeakPolarHBondContact CB-OE1 3.4Å; T272-E332 PolarHBondContact OG1-OE1 2.73Å; R291-E332 VanDerWaalsContact CD-CD 3.41Å; R291-E332 WeakPolarHBondContact CD-OE2 3.48Å; R291-E332 HydrophobicContact CG-CG 3.64Å; R291-E332 IonicContact CZ-OE1 2.8Å; R291-E332 IonicContact CZ-OE2 3.99Å; R291-E332 IonicContact NE-OE1 3.37Å; R291-E332 PolarHBondContact NE-OE1 2.71Å; R291-E332 IonicContact NE-OE2 3.99Å; R291-E332 PolarHBondContact NE-OE2 3.17Å; R291-E332 IonicContact NH1-OE2 3.51Å; L292-E332 CarbonylContact O-C 3.25Å; L292-E332 VanDerWaalsContact O-CA 3.29Å; L292-E332 WeakPolarHBondContact O-CA 3.32Å; R293-E332 HydrophobicContact CB-CB 4.36Å; R293-E332 HydrophobicContact CG-CB 4.26Å; D330-E332 VanDerWaalsContact C-N 3.28Å; D330-E332 WeakPolarHBondContact OD1-CA 3.23Å; D330-E332 VanDerWaalsContact OD1-CB 3.23Å; D330-E332 WeakPolarHBondContact OD1-CB 3.46Å; D330-E332 PolarHBondContact OD1-N 2.63Å
333F96.1Very high92.5Very high1 Ų152.7 Ų52.70%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-151.6157.6179.455.4-92000111.3L263 Y269 R291 L292 E300 W301L263-F333 HydrophobicContact CD2-CE2 4.07Å; L263-F333 HydrophobicContact CD2-CZ 3.74Å; Y269-F333 HydrophobicContact CD1-CE1 4.42Å; Y269-F333 HydrophobicContact CD1-CZ 4.29Å; Y269-F333 HydrophobicContact CE1-CE1 4.08Å; Y269-F333 HydrophobicContact CE1-CZ 4.05Å; R291-F333 WeakPolarHBondContact CA-O 3.27Å; L292-F333 HydrophobicContact CB-CD2 4.41Å; L292-F333 HydrophobicContact CB-CE2 3.88Å; L292-F333 HydrophobicContact CB-CZ 3.94Å; L292-F333 HydrophobicContact CD1-CE2 3.96Å; L292-F333 HydrophobicContact CD1-CZ 4.35Å; L292-F333 HydrophobicContact CG-CE2 4.42Å; L292-F333 PolarHBondContact N-O 3.05Å; L292-F333 PolarHBondContact O-N 2.97Å; E300-F333 HydrophobicContact CB-CB 4.39Å; E300-F333 HydrophobicContact CB-CD1 3.83Å; E300-F333 HydrophobicContact CB-CG 4.39Å; E300-F333 HydrophobicContact CG-CD1 3.95Å; W301-F333 HydrophobicContact CB-CB 4.39Å; W301-F333 HydrophobicContact CB-CD1 4.28Å; W301-F333 HydrophobicContact CB-CD2 3.27Å; W301-F333 HydrophobicContact CB-CE1 4.42Å; W301-F333 HydrophobicContact CB-CE2 3.43Å; W301-F333 VanDerWaalsContact CB-CE2 3.43Å; W301-F333 HydrophobicContact CB-CG 3.73Å; W301-F333 HydrophobicContact CB-CZ 4.02Å; W301-F333 HydrophobicContact CG-CD2 4.1Å; W301-F333 HydrophobicContact CG-CE2 4.3Å
334W97.1Very high92.7Very high9 Ų952.5 Ų52.53%0.03426%0.256CS..EExtended strand (participates in β ladder)trans-96.7150.3169.3-7192000111.4A273 L289 V290 R291 W305 W312 L323A273-W334 HydrophobicContact CB-CH2 3.8Å; A273-W334 HydrophobicContact CB-CZ2 4.24Å; L289-W334 HydrophobicContact CB-CD2 4.49Å; L289-W334 HydrophobicContact CB-CE3 3.48Å; L289-W334 VanDerWaalsContact CB-CE3 3.48Å; L289-W334 HydrophobicContact CB-CZ3 3.76Å; L289-W334 HydrophobicContact CD1-CE3 4.4Å; V290-W334 VanDerWaalsContact C-CE3 3.42Å; V290-W334 WeakPolarHBondContact O-CA 3.42Å; R291-W334 HydrophobicContact CB-CD2 3.7Å; R291-W334 HydrophobicContact CB-CE3 3.7Å; R291-W334 HydrophobicContact CB-CG 4.4Å; R291-W334 HydrophobicContact CB-CH2 3.81Å; R291-W334 HydrophobicContact CB-CZ2 3.77Å; R291-W334 HydrophobicContact CB-CZ3 3.78Å; R291-W334 HydrophobicContact CG-CD2 4.02Å; R291-W334 HydrophobicContact CG-CG 4.31Å; R291-W334 HydrophobicContact CG-CZ2 4.18Å; W305-W334 CarbonylContact C-O 3.58Å; W305-W334 VanDerWaalsContact C-O 3.25Å; W305-W334 HydrophobicContact CB-CB 4.36Å; W312-W334 HydrophobicContact CH2-CB 4.2Å; W312-W334 AromaticContact CH2-CD1 3.8Å; W312-W334 AromaticContact CH2-CG 3.93Å; W312-W334 HydrophobicContact CH2-CG 3.93Å; W312-W334 HydrophobicContact CZ2-CB 3.79Å; W312-W334 AromaticContact CZ2-CD1 3.79Å; W312-W334 AromaticContact CZ2-CG 3.91Å; W312-W334 HydrophobicContact CZ2-CG 3.91Å; L323-W334 HydrophobicContact CB-CZ2 4Å; L323-W334 HydrophobicContact CD2-CH2 3.72Å; L323-W334 HydrophobicContact CD2-CZ2 3.88Å; L323-W334 HydrophobicContact CD2-CZ3 4.22Å; L323-W334 WeakPolarHBondContact O-CZ2 3.45Å; L323-W334 PolarHBondContact O-NE1 3.24Å; L323-W334 VanDerWaalsContact O-NE1 3.11Å
335M97Very high92.8Very high0 Ų049.6 Ų49.60%025%0.246CC..EExtended strand (participates in β ladder)trans-144.2163166.372.1-174.9-26.200111L289 V290 L292 W301 D339 F340 Y344L289-M335 WeakPolarHBondContact CA-O 3.16Å; V290-M335 PolarHBondContact N-O 2.82Å; V290-M335 PolarHBondContact O-N 2.82Å; L292-M335 HydrophobicContact CD1-CG 4.3Å; L292-M335 HydrophobicContact CD1-SD 3.57Å; L292-M335 VanDerWaalsContact CD1-SD 3.57Å; W301-M335 HydrophobicContact CD2-CE 3.84Å; W301-M335 HydrophobicContact CE3-CE 3.87Å; W301-M335 HydrophobicContact CG-CE 4.42Å; W301-M335 HydrophobicContact CH2-CE 4.05Å; W301-M335 HydrophobicContact CZ2-CE 4.01Å; W301-M335 HydrophobicContact CZ3-CE 3.96Å; M335-D339 HydrophobicContact CE-CB 3.88Å; M335-F340 HydrophobicContact CG-CB 4.19Å; M335-F340 HydrophobicContact SD-CB 3.97Å; M335-F340 HydrophobicContact SD-CD2 4.19Å; M335-Y344 HydrophobicContact CE-CE2 4.4Å; M335-Y344 HydrophobicContact SD-CD2 4.3Å; M335-Y344 HydrophobicContact SD-CE2 3.69Å
336S96.1Very high93Very high17 Ų1750.1 Ų50.112%0.11925%0.247CC..EExtended strand (participates in β ladder)trans-67.6148.7173.283.10000111.2E338 D339 F340S336-E338 PolarHBondContact O-N 3.06Å; S336-D339 PolarHBondContact O-N 3.21Å; S336-D339 VanDerWaalsContact O-N 3.16Å; S336-D339 WeakPolarHBondContact OG-CB 3.18Å; S336-D339 VanDerWaalsContact OG-CG 3.23Å; S336-D339 PolarHBondContact OG-N 3.26Å; S336-D339 PolarHBondContact OG-OD2 3.15Å; S336-F340 PolarHBondContact O-N 2.93Å
337F95.9Very high93.4Very high8 Ų844.4 Ų44.44%0.03522%0.221CC..Hα-helixtrans-61.4-29.4176.5-177.6-115.2000112.7L229 Y230 M233 R288 V290 F340 K341L229-F337 HydrophobicContact CB-CZ 4.16Å; L229-F337 HydrophobicContact CD2-CE2 4.38Å; L229-F337 HydrophobicContact CD2-CZ 4.16Å; L229-F337 HydrophobicContact CG-CZ 4.22Å; Y230-F337 HydrophobicContact CD2-CB 4.16Å; Y230-F337 HydrophobicContact CD2-CD1 4.24Å; Y230-F337 AromaticContact CD2-CD2 3.67Å; Y230-F337 HydrophobicContact CD2-CD2 3.67Å; Y230-F337 HydrophobicContact CD2-CE2 4.08Å; Y230-F337 AromaticContact CD2-CG 3.75Å; Y230-F337 HydrophobicContact CD2-CG 3.75Å; Y230-F337 HydrophobicContact CE2-CB 4.45Å; Y230-F337 HydrophobicContact CE2-CD2 4.48Å; Y230-F337 HydrophobicContact CE2-CG 4.49Å; M233-F337 HydrophobicContact SD-CE2 3.84Å; R288-F337 HydrophobicContact CB-CB 3.88Å; R288-F337 PolarHBondContact O-N 2.94Å; V290-F337 HydrophobicContact CG2-CB 4.32Å; V290-F337 HydrophobicContact CG2-CD2 3.78Å; F337-F340 AromaticContact CD2-CD1 3.94Å; F337-F340 HydrophobicContact CD2-CD1 3.94Å; F337-F340 AromaticContact CE2-CD1 3.95Å; F337-F340 HydrophobicContact CE2-CD1 3.95Å; F337-F340 HydrophobicContact CE2-CE1 4.44Å; F337-F340 WeakPolarHBondContact O-CB 3.43Å; F337-F340 PolarHBondContact O-N 3Å; F337-K341 HydrophobicContact CD1-CD 4.13Å; F337-K341 HydrophobicContact CE1-CD 3.58Å; F337-K341 HydrophobicContact CE1-CG 4.16Å; F337-K341 HydrophobicContact CE2-CG 4.32Å; F337-K341 HydrophobicContact CZ-CD 3.84Å; F337-K341 HydrophobicContact CZ-CG 4.02Å; F337-K341 WeakPolarHBondContact O-CG 3.27Å; F337-K341 PolarHBondContact O-N 2.97Å
338E94.4Very high93.6Very high122 Ų12239.2 Ų39.257%0.5719%0.193SC*.Hα-helixtrans-70.3-41.6175.2-62.2-54.1142.200111.7S336 F340 K341 K342S336-E338 PolarHBondContact O-N 3.06Å; E338-F340 VanDerWaalsContact C-N 3.32Å; E338-K341 PolarHBondContact O-N 2.94Å; E338-K342 WeakPolarHBondContact O-CB 3.22Å; E338-K342 PolarHBondContact O-N 2.91Å
339D95.8Very high93.7Very high35 Ų3537.5 Ų37.519%0.18718%0.178CC..Hα-helixtrans-65.7-38.5172.7-68.6-52.1000111W301 M335 S336 K342 N343W301-D339 HydrophobicContact CZ2-CB 4.33Å; M335-D339 HydrophobicContact CE-CB 3.88Å; S336-D339 PolarHBondContact O-N 3.21Å; S336-D339 VanDerWaalsContact O-N 3.16Å; S336-D339 WeakPolarHBondContact OG-CB 3.18Å; S336-D339 VanDerWaalsContact OG-CG 3.23Å; S336-D339 PolarHBondContact OG-N 3.26Å; S336-D339 PolarHBondContact OG-OD2 3.15Å; D339-K342 PolarHBondContact O-N 3.12Å; D339-N343 WeakPolarHBondContact O-CB 3.43Å; D339-N343 PolarHBondContact O-N 3.04Å; D339-N343 PolarHBondContact O-ND2 3.45Å
340F96.2Very high93.9Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-56.1-53.8174.2177.3-114.1000111.2M222 M233 C245 V290 L292 M335 S336 F337 E338 K342 N343 Y344 I347M222-F340 HydrophobicContact CE-CD1 4.15Å; M222-F340 HydrophobicContact CE-CE1 3.28Å; M222-F340 HydrophobicContact CE-CE2 4.48Å; M222-F340 HydrophobicContact CE-CZ 3.48Å; M222-F340 VanDerWaalsContact CE-CZ 3.48Å; M222-F340 HydrophobicContact SD-CE1 4.22Å; M233-F340 HydrophobicContact CE-CE1 3.91Å; M233-F340 HydrophobicContact CE-CZ 4.3Å; M233-F340 HydrophobicContact SD-CE1 4.08Å; C245-F340 HydrophobicContact CB-CE2 3.96Å; C245-F340 HydrophobicContact CB-CZ 3.99Å; V290-F340 HydrophobicContact CG2-CB 4.34Å; V290-F340 HydrophobicContact CG2-CD1 4.26Å; V290-F340 HydrophobicContact CG2-CG 4.29Å; L292-F340 HydrophobicContact CD1-CD2 3.88Å; L292-F340 HydrophobicContact CD1-CE2 4.13Å; L292-F340 HydrophobicContact CD2-CD2 4.43Å; L292-F340 HydrophobicContact CD2-CE2 4.05Å; M335-F340 HydrophobicContact CG-CB 4.19Å; M335-F340 HydrophobicContact SD-CB 3.97Å; M335-F340 HydrophobicContact SD-CD2 4.19Å; S336-F340 PolarHBondContact O-N 2.93Å; F337-F340 AromaticContact CD2-CD1 3.94Å; F337-F340 HydrophobicContact CD2-CD1 3.94Å; F337-F340 AromaticContact CE2-CD1 3.95Å; F337-F340 HydrophobicContact CE2-CD1 3.95Å; F337-F340 HydrophobicContact CE2-CE1 4.44Å; F337-F340 WeakPolarHBondContact O-CB 3.43Å; F337-F340 PolarHBondContact O-N 3Å; E338-F340 VanDerWaalsContact C-N 3.32Å; F340-K342 VanDerWaalsContact C-N 3.26Å; F340-K342 PolarHBondContact O-N 3.12Å; F340-N343 PolarHBondContact O-N 3.23Å; F340-Y344 AromaticContact CD2-CD2 3.34Å; F340-Y344 HydrophobicContact CD2-CD2 3.34Å; F340-Y344 AromaticContact CD2-CE2 3.82Å; F340-Y344 HydrophobicContact CD2-CE2 3.82Å; F340-Y344 AromaticContact CD2-CG 3.82Å; F340-Y344 HydrophobicContact CD2-CG 3.82Å; F340-Y344 HydrophobicContact CE2-CD1 4.18Å; F340-Y344 AromaticContact CE2-CD2 3.68Å; F340-Y344 HydrophobicContact CE2-CD2 3.68Å; F340-Y344 HydrophobicContact CE2-CE2 4.2Å; F340-Y344 AromaticContact CE2-CG 3.67Å; F340-Y344 HydrophobicContact CE2-CG 3.67Å; F340-Y344 HydrophobicContact CG-CD2 4.31Å; F340-Y344 WeakPolarHBondContact O-CB 3.44Å; F340-Y344 WeakPolarHBondContact O-CD2 3.44Å; F340-Y344 PolarHBondContact O-N 3.21Å; F340-I347 HydrophobicContact CZ-CD1 4.48Å
341K94.3Very high93.7Very high88 Ų8830.4 Ų30.438%0.38315%0.145SC..Hα-helixtrans-59.8-33.5176.9-76.8-179.860.9-173.30113.9M222 F337 E338M222-K341 HydrophobicContact SD-CG 4.41Å; F337-K341 HydrophobicContact CD1-CD 4.13Å; F337-K341 HydrophobicContact CE1-CD 3.58Å; F337-K341 HydrophobicContact CE1-CG 4.16Å; F337-K341 HydrophobicContact CE2-CG 4.32Å; F337-K341 HydrophobicContact CZ-CD 3.84Å; F337-K341 HydrophobicContact CZ-CG 4.02Å; F337-K341 WeakPolarHBondContact O-CG 3.27Å; F337-K341 PolarHBondContact O-N 2.97Å; E338-K341 PolarHBondContact O-N 2.94Å
342K93.9Very high93.1Very high169 Ų16930.7 Ų30.774%0.73515%0.146SC*.Hα-helixtrans-75.6-35.7-178.7-179.2178.3174.7-174.80112.5E338 D339 F340E338-K342 WeakPolarHBondContact O-CB 3.22Å; E338-K342 PolarHBondContact O-N 2.91Å; D339-K342 PolarHBondContact O-N 3.12Å; F340-K342 VanDerWaalsContact C-N 3.26Å; F340-K342 PolarHBondContact O-N 3.12Å
343N94.6Very high91.9Very high40 Ų4030.8 Ų30.821%0.21415%0.148CC..Hα-helixtrans-97.4-33.3-171.5-69.1-75.6000113.3I247 L263 D339 F340I247-N343 WeakPolarHBondContact CG2-O 3.39Å; L263-N343 HydrophobicContact CD1-CB 3.66Å; D339-N343 WeakPolarHBondContact O-CB 3.43Å; D339-N343 PolarHBondContact O-N 3.04Å; D339-N343 PolarHBondContact O-ND2 3.45Å; F340-N343 PolarHBondContact O-N 3.23Å
344Y94.6Very high90.2Very high5 Ų532.1 Ų32.12%0.0216%0.156CC..  trans-91.3150.2-178.7-71.4-96000112M222 C245 I247 L263 Y269 L292 M335 F340M222-Y344 WeakPolarHBondContact CB-O 3.2Å; M222-Y344 VanDerWaalsContact CG-O 3.28Å; M222-Y344 WeakPolarHBondContact CG-O 3.26Å; C245-Y344 HydrophobicContact CB-CD1 3.92Å; C245-Y344 HydrophobicContact CB-CE1 4.38Å; C245-Y344 VanDerWaalsContact SG-CE1 3.54Å; I247-Y344 HydrophobicContact CD1-CD1 4.3Å; I247-Y344 HydrophobicContact CD1-CE1 4.09Å; I247-Y344 HydrophobicContact CG1-CD1 3.6Å; I247-Y344 HydrophobicContact CG1-CE1 3.76Å; I247-Y344 HydrophobicContact CG1-CG 4.11Å; L263-Y344 HydrophobicContact CD1-CE2 4.23Å; Y269-Y344 AromaticContact CD2-CE1 3.82Å; Y269-Y344 HydrophobicContact CD2-CE1 3.82Å; Y269-Y344 HydrophobicContact CE2-CE1 4.37Å; Y269-Y344 HydrophobicContact CG-CE1 4.14Å; L292-Y344 HydrophobicContact CD1-CD2 4.4Å; L292-Y344 HydrophobicContact CD1-CE1 4.35Å; L292-Y344 HydrophobicContact CD1-CE2 3.48Å; L292-Y344 VanDerWaalsContact CD1-CE2 3.48Å; L292-Y344 VanDerWaalsContact CD1-CZ 3.45Å; L292-Y344 VanDerWaalsContact CD1-OH 3.26Å; L292-Y344 WeakPolarHBondContact CD1-OH 3.41Å; M335-Y344 HydrophobicContact CE-CE2 4.4Å; M335-Y344 HydrophobicContact SD-CD2 4.3Å; M335-Y344 HydrophobicContact SD-CE2 3.69Å; F340-Y344 AromaticContact CD2-CD2 3.34Å; F340-Y344 HydrophobicContact CD2-CD2 3.34Å; F340-Y344 AromaticContact CD2-CE2 3.82Å; F340-Y344 HydrophobicContact CD2-CE2 3.82Å; F340-Y344 AromaticContact CD2-CG 3.82Å; F340-Y344 HydrophobicContact CD2-CG 3.82Å; F340-Y344 HydrophobicContact CE2-CD1 4.18Å; F340-Y344 AromaticContact CE2-CD2 3.68Å; F340-Y344 HydrophobicContact CE2-CD2 3.68Å; F340-Y344 HydrophobicContact CE2-CE2 4.2Å; F340-Y344 AromaticContact CE2-CG 3.67Å; F340-Y344 HydrophobicContact CE2-CG 3.67Å; F340-Y344 HydrophobicContact CG-CD2 4.31Å; F340-Y344 WeakPolarHBondContact O-CB 3.44Å; F340-Y344 WeakPolarHBondContact O-CD2 3.44Å; F340-Y344 PolarHBondContact O-N 3.21Å
345T93.3Very high88.2Confident45 Ų4537.1 Ų37.128%0.27618%0.184SC..SBendtrans-101.9-31-179.859.80000112.1M222 S246 I247 D248M222-T345 PolarHBondContact N-O 3.41Å; S246-T345 PolarHBondContact O-N 3Å; S246-T345 PolarHBondContact O-OG1 2.9Å; I247-T345 HydrophobicContact CG2-CG2 4.44Å; D248-T345 HydrophobicContact CB-CG2 4.13Å; D248-T345 PolarHBondContact N-OG1 2.84Å; D248-T345 WeakPolarHBondContact OD2-CB 3.32Å; D248-T345 PolarHBondContact OD2-OG1 2.82Å
346K92.3Very high86.1Confident56 Ų5637.5 Ų37.524%0.24319%0.187CC..EExtended strand (participates in β ladder)trans-140.6147.7-174.6-65.3170.8-177.7155.40111.8Y220 C245 S246 D248Y220-K346 WeakPolarHBondContact O-CA 3.2Å; C245-K346 VanDerWaalsContact CA-O 3.29Å; C245-K346 WeakPolarHBondContact CA-O 3.41Å; C245-K346 VanDerWaalsContact CB-O 3.26Å; C245-K346 WeakPolarHBondContact CB-O 3.46Å; S246-K346 PolarHBondContact N-O 3.37Å; S246-K346 VanDerWaalsContact N-O 3.16Å; S246-K346 PolarHBondContact O-N 3.2Å; D248-K346 VanDerWaalsContact CG-NZ 3.33Å; D248-K346 IonicContact OD1-NZ 3.84Å; D248-K346 PolarHBondContact OD1-NZ 3.14Å; D248-K346 WeakPolarHBondContact OD2-CE 3.48Å; D248-K346 IonicContact OD2-NZ 2.74Å; D248-K346 PolarHBondContact OD2-NZ 3.17Å; D248-K346 VanDerWaalsContact OD2-NZ 3.15Å
347I93.4Very high84.2Confident0 Ų038.4 Ų38.40%019%0.19CC..EExtended strand (participates in β ladder)trans-122.9138.7162.9-179.4170.4000108.8F219 Y220 M222 L229 M233 M243 G244 F340 I349F219-I347 CarbonylContact C-O 3.53Å; F219-I347 VanDerWaalsContact CA-O 3.24Å; F219-I347 WeakPolarHBondContact CA-O 3.05Å; Y220-I347 HydrophobicContact CD2-CG2 4Å; Y220-I347 HydrophobicContact CG-CG2 4.25Å; Y220-I347 PolarHBondContact N-O 3.26Å; Y220-I347 PolarHBondContact O-N 3.1Å; M222-I347 HydrophobicContact CE-CB 3.44Å; M222-I347 VanDerWaalsContact CE-CB 3.44Å; M222-I347 HydrophobicContact CE-CG2 3.46Å; M222-I347 VanDerWaalsContact CE-CG2 3.46Å; L229-I347 HydrophobicContact CD1-CG2 4.1Å; L229-I347 HydrophobicContact CD2-CG2 4.26Å; M233-I347 HydrophobicContact CE-CD1 3.65Å; M233-I347 HydrophobicContact CG-CD1 3.49Å; M233-I347 VanDerWaalsContact CG-CD1 3.49Å; M233-I347 HydrophobicContact SD-CD1 3.57Å; M233-I347 VanDerWaalsContact SD-CD1 3.57Å; M243-I347 HydrophobicContact SD-CD1 4.48Å; G244-I347 WeakPolarHBondContact O-CA 3.43Å; G244-I347 WeakPolarHBondContact O-CG1 3.36Å; F340-I347 HydrophobicContact CZ-CD1 4.48Å; I347-I349 HydrophobicContact CD1-CD1 4.43Å; I347-I349 HydrophobicContact CD1-CG1 4.42Å; I347-I349 HydrophobicContact CG1-CG1 4.16Å
348E92.6Very high82.1Confident11 Ų1142.6 Ų42.65%0.05121%0.21CC..EExtended strand (participates in β ladder)trans-120.5127.2-176.4-66.6173.6133.400107.3T205 T206 E218 F219 M243 G244T205-E348 WeakPolarHBondContact CB-OE2 3.25Å; T205-E348 PolarHBondContact OG1-OE2 2.92Å; T206-E348 HydrophobicContact CG2-CB 3.63Å; T206-E348 HydrophobicContact CG2-CG 3.82Å; E218-E348 CarbonylContact O-C 3.51Å; E218-E348 WeakPolarHBondContact O-CA 3.49Å; F219-E348 HydrophobicContact CB-CG 4.48Å; M243-E348 CarbonylContact C-O 3.48Å; M243-E348 VanDerWaalsContact CA-O 3.26Å; M243-E348 WeakPolarHBondContact CA-O 3.33Å; G244-E348 PolarHBondContact N-O 3.22Å; G244-E348 PolarHBondContact O-N 2.88Å
349I90.6Very high79.9Confident1 Ų143.3 Ų43.31%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-126.5123.4-178.2-53.7-173.5000108T217 E218 Y220 I232 A236 L242 M243 I347 N351T217-I349 CarbonylContact C-O 3.5Å; T217-I349 VanDerWaalsContact CA-O 3.3Å; T217-I349 WeakPolarHBondContact CA-O 3.49Å; E218-I349 PolarHBondContact N-O 3.44Å; E218-I349 PolarHBondContact O-N 2.57Å; Y220-I349 HydrophobicContact CD2-CD1 4.37Å; Y220-I349 HydrophobicContact CE2-CD1 3.93Å; Y220-I349 HydrophobicContact CE2-CG1 4.49Å; I232-I349 HydrophobicContact CG2-CD1 4.09Å; A236-I349 HydrophobicContact CB-CG2 3.98Å; L242-I349 CarbonylContact O-C 3.4Å; L242-I349 WeakPolarHBondContact O-CA 3.35Å; M243-I349 HydrophobicContact CG-CB 4.31Å; M243-I349 HydrophobicContact CG-CG1 3.96Å; M243-I349 HydrophobicContact CG-CG2 4.03Å; M243-I349 HydrophobicContact SD-CD1 3.92Å; M243-I349 HydrophobicContact SD-CG1 3.98Å; M243-I349 HydrophobicContact SD-CG2 4.45Å; I347-I349 HydrophobicContact CD1-CD1 4.43Å; I347-I349 HydrophobicContact CD1-CG1 4.42Å; I347-I349 HydrophobicContact CG1-CG1 4.16Å; I349-N351 WeakPolarHBondContact CG2-OD1 3.4Å
350C91.3Very high77.6Confident0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-103.6105.4170.3-170.20000109.1M209 T213 V216 T217 S241 L242M209-C350 HydrophobicContact CB-CB 3.55Å; M209-C350 HydrophobicContact CG-CB 4.25Å; M209-C350 HydrophobicContact SD-CB 3.93Å; T213-C350 PolarHBondContact OG1-SG 2.89Å; T213-C350 VanDerWaalsContact OG1-SG 3.33Å; V216-C350 CarbonylContact O-C 3.54Å; V216-C350 WeakPolarHBondContact O-CA 3.4Å; T217-C350 HydrophobicContact CG2-CB 3.89Å; S241-C350 CarbonylContact C-O 3.18Å; S241-C350 VanDerWaalsContact CA-O 3.26Å; S241-C350 WeakPolarHBondContact CA-O 3.42Å; S241-C350 VanDerWaalsContact CB-O 3.23Å; S241-C350 WeakPolarHBondContact CB-O 3.47Å; L242-C350 HydrophobicContact CB-CB 4.22Å; L242-C350 PolarHBondContact N-O 3.24Å; L242-C350 PolarHBondContact O-N 3.33Å
351N84Confident75.3Confident16 Ų1653.4 Ų53.49%0.08627%0.267CS..EExtended strand (participates in β ladder)trans-83.3139175.6-61.5-52.6000110.1G215 V216 E218 S241 I349G215-N351 CarbonylContact C-O 3.56Å; G215-N351 WeakPolarHBondContact CA-O 3.23Å; V216-N351 HydrophobicContact CG1-CB 3.79Å; V216-N351 PolarHBondContact N-O 2.98Å; V216-N351 PolarHBondContact O-N 3.05Å; E218-N351 PolarHBondContact OE2-ND2 3.32Å; E218-N351 VanDerWaalsContact OE2-ND2 3.1Å; S241-N351 PolarHBondContact OG-OD1 3.25Å; I349-N351 WeakPolarHBondContact CG2-OD1 3.4Å
352L78.6Confident73.1Confident6 Ų656.4 Ų56.43%0.03129%0.286CS..PPolyproline II helixtrans-77.9145.5-177.1-56.8-179.9000111.6L125 T213 G240 A356 L357L125-L352 HydrophobicContact CD1-CD1 3.71Å; L125-L352 HydrophobicContact CD1-CD2 3.48Å; L125-L352 VanDerWaalsContact CD1-CD2 3.48Å; L125-L352 HydrophobicContact CD1-CG 4.22Å; L125-L352 HydrophobicContact CD2-CD2 4.26Å; L125-L352 HydrophobicContact CG-CD1 4.45Å; L125-L352 HydrophobicContact CG-CD2 4.49Å; T213-L352 HydrophobicContact CG2-CD2 3.82Å; G240-L352 WeakPolarHBondContact O-CD1 3.44Å; L352-A356 HydrophobicContact CB-CB 3.76Å; L352-A356 HydrophobicContact CD1-CB 4.36Å; L352-A356 HydrophobicContact CD2-CB 4.28Å; L352-A356 HydrophobicContact CG-CB 4.34Å; L352-L357 HydrophobicContact CB-CD2 4.04Å; L352-L357 HydrophobicContact CB-CG 4.03Å; L352-L357 HydrophobicContact CD1-CD2 3.89Å
353T67.8Low71.3Confident18 Ų1852.9 Ų52.911%0.1127%0.272CS..PPolyproline II helixtrans-72.4164.1168.761.60000110.6G214 D355 A356 V367 F510G214-T353 WeakPolarHBondContact O-CG2 3.45Å; T353-D355 PolarHBondContact O-N 3.4Å; T353-D355 VanDerWaalsContact O-N 3.16Å; T353-A356 WeakPolarHBondContact O-CB 3.47Å; T353-A356 PolarHBondContact O-N 2.94Å; T353-V367 HydrophobicContact CG2-CG2 4.47Å; T353-F510 HydrophobicContact CG2-CE1 3.93Å
354P59.9Low69.8Low28 Ų2855.6 Ų55.618%0.18228%0.282CS..G310 helixtrans-52.5-36176.7-26.734.8000113.6A356 L357 K364 W365P354-A356 PolarHBondContact O-N 2.96Å; P354-L357 PolarHBondContact O-N 2.99Å; P354-K364 HydrophobicContact CB-CB 4.04Å; P354-K364 HydrophobicContact CB-CD 4.17Å; P354-K364 HydrophobicContact CB-CG 4.05Å; P354-K364 HydrophobicContact CG-CB 3.93Å; P354-K364 HydrophobicContact CG-CG 4.48Å; P354-W365 WeakPolarHBondContact CD-O 3.49Å; P354-W365 WeakPolarHBondContact CG-O 3.36Å
355D55.3Low68.7Low115 Ų11556.7 Ų56.762%0.61529%0.286SS*.G310 helixtrans-67.1-17.2-180-49.5-48.8000112.8L26 R128 T353L26-D355 HydrophobicContact CD1-CB 4.35Å; R128-D355 VanDerWaalsContact CZ-O 3.25Å; R128-D355 PolarHBondContact NH1-O 3.08Å; R128-D355 PolarHBondContact NH2-O 3.23Å; T353-D355 PolarHBondContact O-N 3.4Å; T353-D355 VanDerWaalsContact O-N 3.16Å
356A53.6Low68Low7 Ų756.8 Ų56.86%0.05829%0.286CS..G310 helixtrans-98.7-5.1179.800000114.4L125 R128 L352 T353 P354L125-A356 HydrophobicContact CD2-CB 3.83Å; R128-A356 VanDerWaalsContact NH1-CA 3.27Å; L352-A356 HydrophobicContact CB-CB 3.76Å; L352-A356 HydrophobicContact CD1-CB 4.36Å; L352-A356 HydrophobicContact CD2-CB 4.28Å; L352-A356 HydrophobicContact CG-CB 4.34Å; T353-A356 WeakPolarHBondContact O-CB 3.47Å; T353-A356 PolarHBondContact O-N 2.94Å; P354-A356 PolarHBondContact O-N 2.96Å
357L55.3Low67.5Low36 Ų3656.6 Ų56.619%0.18829%0.289CS..SBendtrans-105.7153.1-178.4-66.8167.8000112R239 L352 P354R239-L357 WeakPolarHBondContact O-CD2 3.4Å; L352-L357 HydrophobicContact CB-CD2 4.04Å; L352-L357 HydrophobicContact CB-CG 4.03Å; L352-L357 HydrophobicContact CD1-CD2 3.89Å; P354-L357 PolarHBondContact O-N 2.99Å
358E52.3Low67Low97 Ų9757.6 Ų57.645%0.45330%0.296SS..  trans-70.5147.9171.5-59.8-178.7150.100111.1K124 D360 K361K124-E358 HydrophobicContact CD-CG 4.2Å; K124-E358 VanDerWaalsContact CE-OE1 3.28Å; K124-E358 WeakPolarHBondContact CE-OE1 3.34Å; K124-E358 IonicContact NZ-OE1 3.52Å; K124-E358 PolarHBondContact NZ-OE1 3.01Å; E358-D360 PolarHBondContact O-N 3.24Å; E358-K361 PolarHBondContact O-N 3.05Å
359D49.3Very low66.7Low137 Ų13760.6 Ų60.673%0.73332%0.315SS*.THydrogen-bonded Turntrans-59.2-17.3-172.6-95.5-32.6000115.4K364D359-K364 IonicContact OD1-NZ 3.52Å; D359-K364 PolarHBondContact OD1-NZ 3.35Å; D359-K364 VanDerWaalsContact OD1-NZ 3.11Å
360D46.4Very low66.6Low153 Ų15361.7 Ų61.782%0.81832%0.321SS*.THydrogen-bonded Turntrans-95.310.1-173.9-71.2-23.2000115.3E358E358-D360 PolarHBondContact O-N 3.24Å
361K47.9Very low66.4Low94 Ų9464.6 Ų64.641%0.40934%0.335SS..  trans-106.4128.2179.3-68.9-173.5-176.2175.50113.7E238 E358 H363E238-K361 PolarHBondContact O-NZ 3.04Å; E358-K361 PolarHBondContact O-N 3.05Å; K361-H363 PolarHBondContact O-N 3.43Å; K361-H363 VanDerWaalsContact O-N 3.13Å
362I48.7Very low66.6Low150 Ų15064.5 Ų64.577%0.76934%0.338SS*.SBendtrans-74.22.7-154.6-69.1167.5000116.7
363H55.9Low67.1Low95 Ų9567 Ų6744%0.4435%0.347SS..  trans-141.898.1179.5-59-79.6000112K361K361-H363 PolarHBondContact O-N 3.43Å; K361-H363 VanDerWaalsContact O-N 3.13Å
364K62.5Low68.3Low98 Ų9866.2 Ų66.243%0.42634%0.342SS..PPolyproline II helixtrans-92120.4176.3-70.5-177.9177.7-1750109.1P354 D359 T366P354-K364 HydrophobicContact CB-CB 4.04Å; P354-K364 HydrophobicContact CB-CD 4.17Å; P354-K364 HydrophobicContact CB-CG 4.05Å; P354-K364 HydrophobicContact CG-CB 3.93Å; P354-K364 HydrophobicContact CG-CG 4.48Å; D359-K364 IonicContact OD1-NZ 3.52Å; D359-K364 PolarHBondContact OD1-NZ 3.35Å; D359-K364 VanDerWaalsContact OD1-NZ 3.11Å; K364-T366 PolarHBondContact O-N 2.84Å
365W72.1Confident69.7Low28 Ų2865.5 Ų65.511%0.10634%0.337CS..PPolyproline II helixtrans-63.6130.4171.9-71.298.2000110.5P354 V367 V417 F510 S511 E512P354-W365 WeakPolarHBondContact CD-O 3.49Å; P354-W365 WeakPolarHBondContact CG-O 3.36Å; W365-V367 HydrophobicContact CB-CG2 4.42Å; W365-V417 HydrophobicContact CH2-CG2 4.22Å; W365-V417 HydrophobicContact CZ3-CG2 4.41Å; W365-F510 HydrophobicContact CB-CD1 4.48Å; W365-F510 HydrophobicContact CD2-CB 4.26Å; W365-F510 HydrophobicContact CE3-CB 3.76Å; W365-F510 HydrophobicContact CZ3-CB 4.32Å; W365-S511 CarbonylContact C-O 3.6Å; W365-S511 WeakPolarHBondContact CA-O 3.39Å; W365-E512 HydrophobicContact CZ3-CB 4.45Å
366T77.3Confident71.3Confident47 Ų4765.2 Ų65.229%0.28833%0.327SS..EExtended strand (participates in β ladder)trans-79.6124.8164.9-590000108.5K364 F510 S511K364-T366 PolarHBondContact O-N 2.84Å; T366-F510 CarbonylContact O-C 3.45Å; T366-F510 WeakPolarHBondContact O-CA 3.44Å; T366-S511 PolarHBondContact N-O 3.48Å; T366-S511 PolarHBondContact O-N 2.97Å; T366-S511 PolarHBondContact O-OG 3.42Å
367V82.1Confident72.8Confident51 Ų5164.9 Ų64.931%0.30932%0.324SS..EExtended strand (participates in β ladder)trans-114.2129.7-176.5-168.10000109.9T353 W365 V369 V509 F510T353-V367 HydrophobicContact CG2-CG2 4.47Å; W365-V367 HydrophobicContact CB-CG2 4.42Å; V367-V369 HydrophobicContact CG1-CG2 3.94Å; V367-V509 WeakPolarHBondContact CA-O 3.47Å; V367-F510 HydrophobicContact CB-CD1 4.27Å; V367-F510 HydrophobicContact CB-CE1 4.22Å; V367-F510 HydrophobicContact CG1-CD1 3.94Å; V367-F510 HydrophobicContact CG1-CE1 3.56Å; V367-F510 HydrophobicContact CG1-CZ 3.88Å; V367-F510 HydrophobicContact CG2-CD1 3.46Å; V367-F510 VanDerWaalsContact CG2-CD1 3.46Å; V367-F510 HydrophobicContact CG2-CE1 3.57Å; V367-F510 HydrophobicContact CG2-CG 4.44Å
368S84.5Confident74.3Confident21 Ų2163.5 Ų63.515%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-113.3137.4165.152.10000108.9R508 V509 S517S368-R508 CarbonylContact O-C 3.55Å; S368-R508 VanDerWaalsContact O-CA 3.25Å; S368-R508 WeakPolarHBondContact O-CA 3.25Å; S368-V509 PolarHBondContact N-O 2.83Å; S368-V509 PolarHBondContact O-N 2.88Å; S368-V509 WeakPolarHBondContact OG-CB 3.48Å; S368-V509 PolarHBondContact OG-O 2.65Å; S368-S517 WeakPolarHBondContact OG-CB 3.48Å
369V86.1Confident76.1Confident74 Ų7458.9 Ų58.945%0.44830%0.296SS..EExtended strand (participates in β ladder)trans-126.9120.7-176.6-179.10000108V367 I506 R508V367-V369 HydrophobicContact CG1-CG2 3.94Å; V369-I506 HydrophobicContact CG1-CD1 3.35Å; V369-I506 HydrophobicContact CG1-CG1 3.72Å; V369-R508 HydrophobicContact CG1-CG 4.32Å; V369-R508 HydrophobicContact CG2-CG 4.21Å
370N87.6Confident78.3Confident24 Ų2452.4 Ų52.413%0.12826%0.261CS..EExtended strand (participates in β ladder)trans-123.5129.1179.4-61-74000109.6Y396 I506 L507N370-Y396 HydrophobicContact CB-CD1 3.69Å; N370-Y396 HydrophobicContact CB-CE1 3.36Å; N370-I506 CarbonylContact O-C 3.51Å; N370-I506 WeakPolarHBondContact O-CA 3.4Å; N370-L507 HydrophobicContact CB-CB 4.44Å; N370-L507 PolarHBondContact N-O 3.4Å; N370-L507 PolarHBondContact O-N 2.91Å
371E87.2Confident80.6Confident62 Ų6245.1 Ų45.129%0.2922%0.222SC..EExtended strand (participates in β ladder)trans-91145.6171.5-59.4-162.8139.900109.9R19 Y396 K423R19-E371 IonicContact CZ-OE1 3.91Å; R19-E371 IonicContact CZ-OE2 2.66Å; R19-E371 IonicContact NH1-OE1 3.17Å; R19-E371 PolarHBondContact NH1-OE1 3.05Å; R19-E371 IonicContact NH1-OE2 2.66Å; R19-E371 PolarHBondContact NH1-OE2 3.44Å; R19-E371 IonicContact NH2-OE1 2.73Å; R19-E371 PolarHBondContact NH2-OE1 3.16Å; R19-E371 IonicContact NH2-OE2 3.04Å; R19-E371 PolarHBondContact NH2-OE2 3.07Å; E371-Y396 PolarHBondContact O-OH 3.12Å; E371-K423 IonicContact OE1-NZ 3.84Å; E371-K423 PolarHBondContact OE1-NZ 2.65Å; E371-K423 IonicContact OE2-NZ 2.84Å
372G88Confident82.9Confident14 Ų1440.6 Ų40.614%0.14420%0.203CC..EExtended strand (participates in β ladder)trans-153.3173.4178.800000112.4E504 F505G372-E504 WeakPolarHBondContact O-CA 3.34Å; G372-F505 VanDerWaalsContact C-CE1 3.44Å; G372-F505 PolarHBondContact N-O 3.17Å; G372-F505 PolarHBondContact O-N 2.84Å
373R89.6Confident85.3Confident57 Ų5733.7 Ų33.722%0.21517%0.168CC..EExtended strand (participates in β ladder)trans-145.5151.2177.457.9-179.1174.4-170.7-0.4111.5V375 S379 P394 G503 E504 F505 Q653 D656R373-V375 HydrophobicContact CB-CG2 4.42Å; R373-V375 HydrophobicContact CG-CG2 3.84Å; R373-S379 PolarHBondContact O-OG 2.78Å; R373-P394 WeakPolarHBondContact O-CG 3.38Å; R373-G503 CarbonylContact C-O 3.59Å; R373-G503 WeakPolarHBondContact CA-O 3.45Å; R373-E504 HydrophobicContact CB-CG 4.48Å; R373-F505 VanDerWaalsContact N-CE1 3.35Å; R373-Q653 PolarHBondContact NH2-O 3.22Å; R373-D656 IonicContact CZ-OD2 2.66Å; R373-D656 IonicContact NE-OD2 3.88Å; R373-D656 PolarHBondContact NE-OD2 2.91Å; R373-D656 VanDerWaalsContact NH2-CB 3.29Å; R373-D656 IonicContact NH2-OD2 3.88Å; R373-D656 PolarHBondContact NH2-OD2 2.96Å
374W92.7Very high87.1Confident3 Ų333.1 Ų33.11%0.01116%0.162CC..EExtended strand (participates in β ladder)trans-102.4116.8164.6-57.3-62.7000107.3A380 L420 I438 P494 T496 Q501 E502 G503 F505W374-A380 HydrophobicContact CB-CB 3.91Å; W374-L420 HydrophobicContact CZ2-CD1 4.44Å; W374-L420 HydrophobicContact CZ2-CD2 4.38Å; W374-I438 HydrophobicContact CH2-CB 4.42Å; W374-I438 HydrophobicContact CH2-CG2 3.75Å; W374-I438 HydrophobicContact CZ3-CG2 4.1Å; W374-P494 PolarHBondContact NE1-O 3.39Å; W374-T496 HydrophobicContact CD2-CG2 3.93Å; W374-T496 HydrophobicContact CE3-CG2 3.72Å; W374-T496 HydrophobicContact CH2-CG2 4.34Å; W374-T496 HydrophobicContact CZ3-CG2 3.94Å; W374-Q501 VanDerWaalsContact CB-O 3.26Å; W374-Q501 WeakPolarHBondContact CB-O 3.36Å; W374-E502 VanDerWaalsContact O-CA 3.26Å; W374-E502 WeakPolarHBondContact O-CA 3.47Å; W374-G503 PolarHBondContact N-O 2.99Å; W374-G503 PolarHBondContact O-N 3.39Å; W374-G503 VanDerWaalsContact O-N 3.13Å; W374-F505 AromaticContact CD2-CD1 3.74Å; W374-F505 HydrophobicContact CD2-CD1 3.74Å; W374-F505 HydrophobicContact CD2-CE1 4.06Å; W374-F505 AromaticContact CE2-CD1 3.48Å; W374-F505 VanDerWaalsContact CE2-CD1 3.48Å; W374-F505 AromaticContact CE2-CE1 3.63Å; W374-F505 AromaticContact CE3-CD1 3.95Å; W374-F505 HydrophobicContact CE3-CD1 3.95Å; W374-F505 HydrophobicContact CG-CD1 4.44Å; W374-F505 HydrophobicContact CG-CE1 4.37Å; W374-F505 HydrophobicContact CH2-CB 3.77Å; W374-F505 AromaticContact CH2-CD1 3.74Å; W374-F505 HydrophobicContact CH2-CD1 3.74Å; W374-F505 AromaticContact CH2-CG 3.96Å; W374-F505 HydrophobicContact CH2-CG 3.96Å; W374-F505 HydrophobicContact CZ2-CB 4.3Å; W374-F505 AromaticContact CZ2-CD1 3.5Å; W374-F505 HydrophobicContact CZ2-CD1 3.5Å; W374-F505 AromaticContact CZ2-CE1 3.96Å; W374-F505 HydrophobicContact CZ2-CE1 3.96Å; W374-F505 AromaticContact CZ2-CG 3.96Å; W374-F505 HydrophobicContact CZ2-CG 3.96Å; W374-F505 HydrophobicContact CZ3-CB 4.02Å; W374-F505 AromaticContact CZ3-CD1 3.95Å; W374-F505 HydrophobicContact CZ3-CD1 3.95Å; W374-F505 HydrophobicContact CZ3-CG 4.38Å; W374-F505 AromaticContact NE1-CE1 3.65Å
375V89.9Confident88.7Confident13 Ų1333.5 Ų33.58%0.07917%0.168CC..  trans-113.1129.2178.1-179.70000108.6R373 G377 C378 S379 A380 D656R373-V375 HydrophobicContact CB-CG2 4.42Å; R373-V375 HydrophobicContact CG-CG2 3.84Å; V375-G377 PolarHBondContact O-N 2.73Å; V375-C378 HydrophobicContact CB-CB 4.28Å; V375-C378 HydrophobicContact CG1-CB 4.36Å; V375-C378 PolarHBondContact O-N 3.13Å; V375-C378 VanDerWaalsContact O-N 3.11Å; V375-S379 WeakPolarHBondContact CB-OG 3.46Å; V375-S379 PolarHBondContact N-OG 3.19Å; V375-S379 PolarHBondContact O-N 2.76Å; V375-A380 WeakPolarHBondContact O-CB 3.35Å; V375-A380 PolarHBondContact O-N 2.94Å; V375-D656 HydrophobicContact CB-CB 4.49Å; V375-D656 WeakPolarHBondContact CB-OD1 3.49Å; V375-D656 HydrophobicContact CG1-CB 4.42Å; V375-D656 HydrophobicContact CG2-CB 4.08Å; V375-D656 WeakPolarHBondContact CG2-OD1 3.44Å
376R89Confident89.9Confident109 Ų10935.8 Ų35.841%0.41118%0.178SC..THydrogen-bonded Turntrans-61.7136.2-179-175.6170.1175.3-158.9-4.2110C378 H500 E502 M667R376-C378 PolarHBondContact O-N 3.35Å; R376-H500 HydrophobicContact CG-CB 3.86Å; R376-E502 HydrophobicContact CB-CG 3.65Å; R376-E502 WeakPolarHBondContact CB-OE1 3.33Å; R376-E502 PolarHBondContact N-OE1 2.79Å; R376-E502 VanDerWaalsContact N-OE1 3.15Å; R376-M667 HydrophobicContact CB-CE 4.16Å; R376-M667 HydrophobicContact CB-SD 4.49Å; R376-M667 HydrophobicContact CG-CE 3.78Å; R376-M667 HydrophobicContact CG-CG 4.1Å; R376-M667 HydrophobicContact CG-SD 4.05Å
377G84.3Confident90.7Very high0 Ų035.6 Ų35.60%018%0.177CC..THydrogen-bonded Turntrans80.9-16.8-176.700000114.9V375 S636 Y637V375-G377 PolarHBondContact O-N 2.73Å; G377-S636 WeakPolarHBondContact CA-OG 3.41Å; G377-S636 CarbonylContact O-C 3.59Å; G377-S636 WeakPolarHBondContact O-CB 3.27Å; G377-S636 PolarHBondContact O-OG 2.86Å; G377-Y637 PolarHBondContact N-OH 3.09Å; G377-Y637 PolarHBondContact O-N 3.24Å; G377-Y637 VanDerWaalsContact O-N 3.15Å
378C87.1Confident91.1Very high6 Ų638.1 Ų38.14%0.04119%0.189CC..THydrogen-bonded Turntrans-117.3-68.4-177.5-177.80000112.2V375 R376 T392 D656 T659V375-C378 HydrophobicContact CB-CB 4.28Å; V375-C378 HydrophobicContact CG1-CB 4.36Å; V375-C378 PolarHBondContact O-N 3.13Å; V375-C378 VanDerWaalsContact O-N 3.11Å; R376-C378 PolarHBondContact O-N 3.35Å; C378-T392 VanDerWaalsContact O-CB 3.28Å; C378-T392 WeakPolarHBondContact O-CB 3.38Å; C378-T392 PolarHBondContact O-OG1 2.8Å; C378-D656 PolarHBondContact SG-OD1 2.71Å; C378-T659 HydrophobicContact CB-CG2 4.29Å
379S90.7Very high91.5Very high1 Ų138 Ų381%0.00719%0.187CC..THydrogen-bonded Turntrans-121.3-4.5-167.451.10000113.6R373 V375 G381 T392 N393 D656R373-S379 PolarHBondContact O-OG 2.78Å; V375-S379 WeakPolarHBondContact CB-OG 3.46Å; V375-S379 PolarHBondContact N-OG 3.19Å; V375-S379 PolarHBondContact O-N 2.76Å; S379-G381 VanDerWaalsContact C-N 3.27Å; S379-G381 PolarHBondContact O-N 3.27Å; S379-T392 WeakPolarHBondContact CA-O 3.45Å; S379-N393 WeakPolarHBondContact O-CA 3.11Å; S379-N393 PolarHBondContact O-OD1 2.69Å; S379-D656 PolarHBondContact OG-OD1 2.88Å
380A94.3Very high92Very high0 Ų034.6 Ų34.60%017%0.166CC..  trans-82.77017200000110.7W374 V375 H500 Y637W374-A380 HydrophobicContact CB-CB 3.91Å; V375-A380 WeakPolarHBondContact O-CB 3.35Å; V375-A380 PolarHBondContact O-N 2.94Å; A380-H500 PolarHBondContact O-N 3.26Å; A380-Y637 PolarHBondContact O-OH 2.97Å
381G95.4Very high92.3Very high0 Ų034 Ų340%016%0.162CC..  trans-82.4-14-171.200000115.5S379 T389 F390 N393S379-G381 VanDerWaalsContact C-N 3.27Å; S379-G381 PolarHBondContact O-N 3.27Å; G381-T389 WeakPolarHBondContact CA-O 3.42Å; G381-T389 CarbonylContact O-C 3.19Å; G381-T389 WeakPolarHBondContact O-CB 3.23Å; G381-T389 PolarHBondContact O-OG1 2.9Å; G381-F390 PolarHBondContact O-N 2.65Å; G381-N393 PolarHBondContact N-OD1 2.73Å; G381-N393 VanDerWaalsContact N-OD1 3.17Å
382G97Very high92.6Very high0 Ų031.1 Ų31.10%015%0.149CC..  trans71.4-177-174.200000112.1F390 N393 S495 T496G382-F390 VanDerWaalsContact O-CD2 3.3Å; G382-F390 WeakPolarHBondContact O-CD2 3.24Å; G382-N393 PolarHBondContact O-ND2 2.74Å; G382-S495 WeakPolarHBondContact O-CB 3.1Å; G382-S495 PolarHBondContact O-OG 2.9Å; G382-T496 CarbonylContact C-O 3.6Å; G382-T496 VanDerWaalsContact C-O 3.22Å; G382-T496 WeakPolarHBondContact CA-O 3.18Å
383C97.2Very high92.9Very high4 Ų430.4 Ų30.43%0.02714%0.142CC..  trans-81.1178.8-176.274.40000113.2N385 Y386 Y473 T496 Y497C383-N385 PolarHBondContact O-N 2.95Å; C383-Y386 PolarHBondContact O-N 3.32Å; C383-Y473 HydrophobicContact CB-CD1 4.32Å; C383-Y473 HydrophobicContact CB-CE1 3.64Å; C383-Y473 HydrophobicContact CB-CE2 4.21Å; C383-T496 PolarHBondContact N-O 2.85Å; C383-Y497 PolarHBondContact N-O 3.25Å; C383-Y497 PolarHBondContact SG-O 3.1Å
384R95.4Very high93.1Very high84 Ų8427.9 Ų27.932%0.31713%0.133SC..THydrogen-bonded Turntrans-59.4-14.8-175.4-174.556.6-173.776.9-2.4114.9Y386 F390 Y443 F461R384-Y386 PolarHBondContact O-N 2.82Å; R384-F390 HydrophobicContact CB-CD2 4.32Å; R384-F390 HydrophobicContact CB-CE2 4.27Å; R384-F390 HydrophobicContact CB-CZ 4.39Å; R384-F390 VanDerWaalsContact N-CD2 3.35Å; R384-Y443 WeakPolarHBondContact CD-OH 3.26Å; R384-F461 PolarHBondContact NE-O 3.47Å; R384-F461 PolarHBondContact NH2-O 3.17Å
385N95.9Very high93.2Very high106 Ų10627.8 Ų27.857%0.56713%0.132SC*.THydrogen-bonded Turntrans-66.7-16.8172.4-65-10.4000112.8C383 P387 Y497C383-N385 PolarHBondContact O-N 2.95Å; N385-P387 VanDerWaalsContact C-CD 3.42Å; N385-P387 WeakPolarHBondContact O-CD 3.4Å; N385-Y497 PolarHBondContact ND2-OH 2.75Å
386Y96.3Very high93.4Very high76 Ų7627.1 Ų27.130%0.29813%0.129SC..  trans-112.171.5179.4-58.1-78.3000110.1C383 R384 D388 T389 F390 Y497 E498 P499C383-Y386 PolarHBondContact O-N 3.32Å; R384-Y386 PolarHBondContact O-N 2.82Å; Y386-D388 PolarHBondContact O-N 2.79Å; Y386-D388 VanDerWaalsContact O-N 3.14Å; Y386-T389 PolarHBondContact O-N 3Å; Y386-F390 VanDerWaalsContact O-CB 3.25Å; Y386-F390 WeakPolarHBondContact O-CB 3.33Å; Y386-F390 PolarHBondContact O-N 2.98Å; Y386-Y497 WeakPolarHBondContact CE2-O 3.44Å; Y386-E498 PolarHBondContact OH-OE1 3.07Å; Y386-E498 PolarHBondContact OH-OE2 3.22Å; Y386-P499 HydrophobicContact CD1-CG 4.21Å; Y386-P499 HydrophobicContact CE1-CG 4.43Å; Y386-P499 HydrophobicContact CG-CG 4.28Å
387P94.1Very high93.5Very high42 Ų4222.7 Ų22.727%0.27311%0.112SC..Hα-helixtrans-61.8-24.9-172.625.5-35.2000113.9N385 T389 L462N385-P387 VanDerWaalsContact C-CD 3.42Å; N385-P387 WeakPolarHBondContact O-CD 3.4Å; P387-T389 VanDerWaalsContact C-N 3.27Å; P387-T389 PolarHBondContact O-N 3.38Å; P387-L462 HydrophobicContact CB-CD2 3.9Å
388D90.8Very high93.9Very high104 Ų10422.8 Ų22.856%0.55611%0.112SC*.Hα-helixtrans-67.4-29180-60.8-42.5000112.8Y386 W391 K458Y386-D388 PolarHBondContact O-N 2.79Å; Y386-D388 VanDerWaalsContact O-N 3.14Å; D388-W391 PolarHBondContact O-NE1 3.49Å; D388-K458 WeakPolarHBondContact OD1-CE 3.27Å; D388-K458 IonicContact OD1-NZ 2.88Å; D388-K458 PolarHBondContact OD1-NZ 3.47Å
389T93.2Very high94.1Very high20 Ų2025.9 Ų25.912%0.12312%0.123CC..Hα-helixtrans-121.8-19-175.552.30000113.5G381 Y386 P387 W391 T392 Y637G381-T389 WeakPolarHBondContact CA-O 3.42Å; G381-T389 CarbonylContact O-C 3.19Å; G381-T389 WeakPolarHBondContact O-CB 3.23Å; G381-T389 PolarHBondContact O-OG1 2.9Å; Y386-T389 PolarHBondContact O-N 3Å; P387-T389 VanDerWaalsContact C-N 3.27Å; P387-T389 PolarHBondContact O-N 3.38Å; T389-W391 PolarHBondContact O-N 3.32Å; T389-W391 VanDerWaalsContact O-N 3.12Å; T389-T392 WeakPolarHBondContact O-CB 3.47Å; T389-T392 PolarHBondContact O-N 2.7Å; T389-T392 PolarHBondContact O-OG1 2.96Å; T389-Y637 HydrophobicContact CG2-CD1 4.21Å; T389-Y637 HydrophobicContact CG2-CD2 4.02Å; T389-Y637 HydrophobicContact CG2-CE1 4.3Å; T389-Y637 HydrophobicContact CG2-CE2 4.18Å; T389-Y637 HydrophobicContact CG2-CG 4.05Å
390F96.6Very high94.1Very high2 Ų226 Ų261%0.00912%0.124CC..Hα-helixtrans-52.6-40.3-176.3174.7-105.9000113.5G381 G382 R384 Y386 T392 N393 A441 Y443 F461 V493G381-F390 PolarHBondContact O-N 2.65Å; G382-F390 VanDerWaalsContact O-CD2 3.3Å; G382-F390 WeakPolarHBondContact O-CD2 3.24Å; R384-F390 HydrophobicContact CB-CD2 4.32Å; R384-F390 HydrophobicContact CB-CE2 4.27Å; R384-F390 HydrophobicContact CB-CZ 4.39Å; R384-F390 VanDerWaalsContact N-CD2 3.35Å; Y386-F390 VanDerWaalsContact O-CB 3.25Å; Y386-F390 WeakPolarHBondContact O-CB 3.33Å; Y386-F390 PolarHBondContact O-N 2.98Å; F390-T392 PolarHBondContact O-N 3.28Å; F390-T392 VanDerWaalsContact O-N 3.15Å; F390-N393 PolarHBondContact O-N 2.71Å; F390-N393 PolarHBondContact O-ND2 2.88Å; F390-A441 HydrophobicContact CZ-CB 4.38Å; F390-Y443 HydrophobicContact CE1-CE2 4.06Å; F390-Y443 HydrophobicContact CZ-CE2 4.16Å; F390-F461 HydrophobicContact CD1-CB 4.23Å; F390-F461 HydrophobicContact CD1-CD1 4.22Å; F390-F461 HydrophobicContact CD1-CD2 4.43Å; F390-F461 HydrophobicContact CD1-CG 4.04Å; F390-F461 HydrophobicContact CE1-CB 4.41Å; F390-F461 AromaticContact CE1-CD1 3.7Å; F390-F461 HydrophobicContact CE1-CD1 3.7Å; F390-F461 HydrophobicContact CE1-CE1 4.04Å; F390-F461 AromaticContact CE1-CG 4Å; F390-F461 HydrophobicContact CE1-CG 4Å; F390-V493 HydrophobicContact CE1-CG1 4.23Å; F390-V493 HydrophobicContact CE2-CB 4.42Å; F390-V493 HydrophobicContact CE2-CG1 3.82Å; F390-V493 HydrophobicContact CZ-CB 3.85Å; F390-V493 HydrophobicContact CZ-CG1 3.61Å; F390-V493 HydrophobicContact CZ-CG2 4.34Å
391W94.2Very high93.6Very high11 Ų1131.1 Ų31.14%0.04215%0.15CC..THydrogen-bonded Turntrans-63.9-18.6-178.368.8-83.6000113.1D388 T389 Q395 H455 K458 F461 N641D388-W391 PolarHBondContact O-NE1 3.49Å; T389-W391 PolarHBondContact O-N 3.32Å; T389-W391 VanDerWaalsContact O-N 3.12Å; W391-Q395 PolarHBondContact O-NE2 3.34Å; W391-H455 PolarHBondContact O-CE1 3.36Å; W391-H455 PolarHBondContact O-NE2 2.96Å; W391-K458 HydrophobicContact CB-CB 4.47Å; W391-K458 HydrophobicContact CD2-CB 4.28Å; W391-K458 HydrophobicContact CG-CB 3.9Å; W391-F461 HydrophobicContact CB-CD2 3.53Å; W391-F461 HydrophobicContact CB-CE2 3.71Å; W391-N641 WeakPolarHBondContact CH2-ND2 3.3Å
392T92.6Very high92.9Very high1 Ų135.7 Ų35.71%0.00617%0.172CC..THydrogen-bonded Turntrans-83.2-13.6-178.6700000114.1C378 S379 T389 F390 Y637C378-T392 VanDerWaalsContact O-CB 3.28Å; C378-T392 WeakPolarHBondContact O-CB 3.38Å; C378-T392 PolarHBondContact O-OG1 2.8Å; S379-T392 WeakPolarHBondContact CA-O 3.45Å; T389-T392 WeakPolarHBondContact O-CB 3.47Å; T389-T392 PolarHBondContact O-N 2.7Å; T389-T392 PolarHBondContact O-OG1 2.96Å; F390-T392 PolarHBondContact O-N 3.28Å; F390-T392 VanDerWaalsContact O-N 3.15Å; T392-Y637 HydrophobicContact CG2-CD1 3.82Å; T392-Y637 WeakPolarHBondContact OG1-CD1 3.47Å
393N95.2Very high92.1Very high0 Ų040.4 Ų40.40%019%0.194CC..SBendtrans-57.5152.7173.3-69.6-75.8000110.8S379 G381 G382 F390 Q395 H455 V493 S495S379-N393 WeakPolarHBondContact O-CA 3.11Å; S379-N393 PolarHBondContact O-OD1 2.69Å; G381-N393 PolarHBondContact N-OD1 2.73Å; G381-N393 VanDerWaalsContact N-OD1 3.17Å; G382-N393 PolarHBondContact O-ND2 2.74Å; F390-N393 PolarHBondContact O-N 2.71Å; F390-N393 PolarHBondContact O-ND2 2.88Å; N393-Q395 WeakPolarHBondContact O-CG 3.3Å; N393-H455 PolarHBondContact O-CE1 2.63Å; N393-V493 HydrophobicContact CB-CG1 3.74Å; N393-S495 WeakPolarHBondContact OD1-CB 3.45Å
394P93.9Very high91.1Very high4 Ų441.3 Ų41.33%0.02620%0.198CC..  trans-53.8144.4172.5-25.236.1000111.2R373 Y396 P494 F505R373-P394 WeakPolarHBondContact O-CG 3.38Å; P394-Y396 HydrophobicContact CB-CE2 3.9Å; P394-P494 WeakPolarHBondContact O-CD 3.12Å; P394-F505 HydrophobicContact CB-CZ 4.02Å; P394-F505 HydrophobicContact CG-CE1 4.05Å; P394-F505 HydrophobicContact CG-CZ 3.93Å
395Q94.4Very high89.9Confident0 Ų042.6 Ų42.60%021%0.212CC..  trans-126.7135.1-175.9-57.4-178.39.600109.5W391 N393 H455 M456 V491 V493 I520W391-Q395 PolarHBondContact O-NE2 3.34Å; N393-Q395 WeakPolarHBondContact O-CG 3.3Å; Q395-H455 PolarHBondContact NE2-CD2 3.35Å; Q395-H455 PolarHBondContact NE2-CE1 3.14Å; Q395-H455 VanDerWaalsContact NE2-CE1 3.26Å; Q395-H455 PolarHBondContact NE2-NE2 3.27Å; Q395-M456 PolarHBondContact NE2-O 3.2Å; Q395-V491 HydrophobicContact CB-CG1 3.81Å; Q395-V491 HydrophobicContact CG-CG1 4.36Å; Q395-V493 HydrophobicContact CG-CG2 4.36Å; Q395-I520 HydrophobicContact CB-CB 4.13Å; Q395-I520 HydrophobicContact CB-CD1 3.99Å; Q395-I520 HydrophobicContact CB-CG1 4.33Å; Q395-I520 WeakPolarHBondContact O-CB 3.37Å; Q395-I520 PolarHBondContact O-N 2.95Å
396Y93.4Very high88.5Confident0 Ų041.2 Ų41.20%020%0.204CC..EExtended strand (participates in β ladder)trans-123.1122.2-178.4-60.3-89.2000110N370 E371 P394 V491 I492 P494 F505 L507 E518 E519N370-Y396 HydrophobicContact CB-CD1 3.69Å; N370-Y396 HydrophobicContact CB-CE1 3.36Å; E371-Y396 PolarHBondContact O-OH 3.12Å; P394-Y396 HydrophobicContact CB-CE2 3.9Å; Y396-V491 CarbonylContact O-C 3.47Å; Y396-V491 WeakPolarHBondContact O-CA 3.42Å; Y396-I492 PolarHBondContact N-O 3.47Å; Y396-I492 PolarHBondContact O-N 3.26Å; Y396-P494 HydrophobicContact CD2-CG 3.92Å; Y396-P494 HydrophobicContact CE2-CG 3.6Å; Y396-F505 AromaticContact CE2-CE2 3.87Å; Y396-F505 HydrophobicContact CE2-CE2 3.87Å; Y396-F505 AromaticContact CE2-CZ 4Å; Y396-F505 HydrophobicContact CE2-CZ 4Å; Y396-F505 WeakPolarHBondContact OH-CE2 3.37Å; Y396-F505 WeakPolarHBondContact OH-CZ 3.37Å; Y396-L507 HydrophobicContact CD1-CD2 4.22Å; Y396-L507 HydrophobicContact CD2-CD2 3.31Å; Y396-L507 HydrophobicContact CE2-CD2 3.88Å; Y396-L507 HydrophobicContact CG-CD2 3.49Å; Y396-L507 VanDerWaalsContact CG-CD2 3.49Å; Y396-E518 CarbonylContact C-O 3.59Å; Y396-E518 WeakPolarHBondContact CA-O 3.39Å; Y396-E519 HydrophobicContact CD1-CB 3.85Å; Y396-E519 HydrophobicContact CD1-CG 4.15Å; Y396-E519 HydrophobicContact CE1-CB 3.72Å; Y396-E519 HydrophobicContact CE1-CG 3.78Å
397R91.8Very high86.8Confident16 Ų1643.6 Ų43.66%0.0623%0.229CC..EExtended strand (participates in β ladder)trans-75.2127.2176.8-162.170165.8-147.9-3.1108.3M449 E489 Y490 S517 E518 I520R397-M449 PolarHBondContact NH2-O 3.46Å; R397-E489 IonicContact CZ-OE2 3.49Å; R397-E489 VanDerWaalsContact CZ-OE2 3.26Å; R397-E489 IonicContact NE-OE2 2.73Å; R397-E489 PolarHBondContact NE-OE2 3.28Å; R397-E489 VanDerWaalsContact NE-OE2 3.1Å; R397-E489 IonicContact NH2-OE2 3.53Å; R397-E489 PolarHBondContact NH2-OE2 2.8Å; R397-Y490 CarbonylContact C-O 3.53Å; R397-Y490 WeakPolarHBondContact CA-O 3.39Å; R397-Y490 WeakPolarHBondContact CD-O 3.36Å; R397-S517 CarbonylContact O-C 3.58Å; R397-S517 WeakPolarHBondContact O-CA 3.25Å; R397-E518 PolarHBondContact N-O 3.49Å; R397-E518 PolarHBondContact O-N 3.18Å; R397-I520 HydrophobicContact CB-CD1 4.12Å; R397-I520 HydrophobicContact CB-CG1 3.8Å
398L92.7Very high85.2Confident2 Ų249.3 Ų49.31%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-112.2123.7172.6172.966.1000108.5L400 F416 E489 Y490 I492 V509 T516L398-L400 HydrophobicContact CD1-CD2 3.96Å; L398-L400 HydrophobicContact CD2-CD1 4.47Å; L398-L400 HydrophobicContact CD2-CD2 4.03Å; L398-L400 HydrophobicContact CD2-CG 4.26Å; L398-L400 HydrophobicContact CG-CD2 3.95Å; L398-L400 HydrophobicContact CG-CG 4.17Å; L398-F416 HydrophobicContact CD2-CD2 4.06Å; L398-F416 HydrophobicContact CD2-CE1 4.33Å; L398-F416 HydrophobicContact CD2-CE2 3.58Å; L398-F416 HydrophobicContact CD2-CZ 3.74Å; L398-E489 WeakPolarHBondContact O-CA 3.31Å; L398-Y490 PolarHBondContact N-O 3.08Å; L398-Y490 PolarHBondContact O-N 3.12Å; L398-I492 HydrophobicContact CB-CD1 4.2Å; L398-I492 HydrophobicContact CB-CG1 4.27Å; L398-I492 HydrophobicContact CD2-CD1 4.23Å; L398-V509 HydrophobicContact CD1-CG1 4.05Å; L398-T516 WeakPolarHBondContact CA-O 3.49Å
399R91.6Very high83.9Confident71 Ų7146.6 Ų46.627%0.26824%0.237SC..EExtended strand (participates in β ladder)trans-109.1117.8172.3-61.2-176.5167.4148.4-0.1109.5L401 E489 N515 T516R399-L401 HydrophobicContact CB-CD2 4.29Å; R399-E489 HydrophobicContact CG-CG 4.13Å; R399-E489 IonicContact CZ-OE1 3.41Å; R399-E489 IonicContact NE-OE1 3.45Å; R399-E489 PolarHBondContact NE-OE1 3.26Å; R399-E489 IonicContact NH2-OE1 2.73Å; R399-E489 PolarHBondContact NH2-OE1 2.63Å; R399-N515 VanDerWaalsContact O-CB 3.31Å; R399-N515 WeakPolarHBondContact O-CB 3.31Å; R399-N515 PolarHBondContact O-OD1 3.19Å; R399-T516 PolarHBondContact N-O 3.03Å; R399-T516 PolarHBondContact O-N 3.12Å
400L90.3Very high82.7Confident3 Ų353.5 Ų53.52%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-99.3110.6174.3-59.9-178.3000108.1L398 C414 F416 L485 P487 G488 Y490 N515L398-L400 HydrophobicContact CD1-CD2 3.96Å; L398-L400 HydrophobicContact CD2-CD1 4.47Å; L398-L400 HydrophobicContact CD2-CD2 4.03Å; L398-L400 HydrophobicContact CD2-CG 4.26Å; L398-L400 HydrophobicContact CG-CD2 3.95Å; L398-L400 HydrophobicContact CG-CG 4.17Å; L400-C414 HydrophobicContact CB-CB 4.04Å; L400-C414 HydrophobicContact CD1-CB 4.07Å; L400-C414 HydrophobicContact CD2-CB 4.18Å; L400-C414 HydrophobicContact CG-CB 4.31Å; L400-F416 HydrophobicContact CD1-CD1 4Å; L400-F416 HydrophobicContact CD1-CE1 3.62Å; L400-F416 HydrophobicContact CD1-CZ 4.4Å; L400-F416 HydrophobicContact CD2-CD1 3.99Å; L400-F416 HydrophobicContact CD2-CE1 4.32Å; L400-F416 HydrophobicContact CD2-CG 4.46Å; L400-L485 HydrophobicContact CD1-CB 3.85Å; L400-P487 WeakPolarHBondContact O-CA 3.26Å; L400-G488 PolarHBondContact N-O 2.75Å; L400-G488 PolarHBondContact O-N 2.74Å; L400-Y490 HydrophobicContact CB-CE2 4.39Å; L400-Y490 HydrophobicContact CD1-CD2 3.91Å; L400-Y490 HydrophobicContact CD1-CE2 3.56Å; L400-Y490 HydrophobicContact CG-CD2 4.11Å; L400-Y490 HydrophobicContact CG-CE2 4.05Å; L400-N515 WeakPolarHBondContact CA-OD1 3.28Å; L400-N515 HydrophobicContact CD2-CB 4.21Å
401L84.3Confident81.6Confident107 Ų10759.5 Ų59.556%0.5630%0.302SS*.  trans-104.8-49.9-169.1-59.8177.2000112.3R399 N515R399-L401 HydrophobicContact CB-CD2 4.29Å; L401-N515 PolarHBondContact N-OD1 2.96Å
402E80.5Confident80.9Confident97 Ų9763 Ų6345%0.45333%0.325SS..SBendtrans-113134.5-172.1-70.6175.7-161.600110.7C414 K513E402-C414 PolarHBondContact O-SG 3.27Å; E402-K513 HydrophobicContact CB-CB 3.74Å; E402-K513 HydrophobicContact CB-CG 4.07Å
403E79.9Confident80.6Confident98 Ų9863.7 Ų63.746%0.45833%0.329SS..  trans-72.9156.9174.863.7-170.8171.400112.3V412 V413 K513E403-V412 HydrophobicContact CB-CG1 4.48Å; E403-V412 VanDerWaalsContact OE2-CG1 3.22Å; E403-V412 WeakPolarHBondContact OE2-CG1 3.45Å; E403-V412 WeakPolarHBondContact OE2-CG2 3.38Å; E403-V413 WeakPolarHBondContact CA-O 3.48Å; E403-K513 WeakPolarHBondContact O-CE 3.36Å; E403-K513 WeakPolarHBondContact O-CG 3.4Å
404D76.6Confident80.2Confident23 Ų2363.7 Ų63.712%0.12333%0.329CS..  trans-68.7141.5178.5-55.1-32.6000111.2D406 V413 T415D404-D406 PolarHBondContact O-N 2.95Å; D404-V413 PolarHBondContact N-O 2.87Å; D404-T415 VanDerWaalsContact CG-N 3.3Å; D404-T415 PolarHBondContact OD1-N 3.29Å; D404-T415 WeakPolarHBondContact OD2-CB 3.49Å; D404-T415 PolarHBondContact OD2-N 3.15Å; D404-T415 PolarHBondContact OD2-OG1 3.28Å
405D69.9Low79.7Confident111 Ų11164 Ų6459%0.59433%0.33SS*.  trans-83.361.1175.7-64.5-15.7000110.7P407 K513D405-P407 WeakPolarHBondContact O-CD 3.28Å; D405-K513 VanDerWaalsContact OD1-CE 3.25Å; D405-K513 WeakPolarHBondContact OD1-CE 3.47Å; D405-K513 IonicContact OD1-NZ 2.67Å; D405-K513 PolarHBondContact OD1-NZ 2.83Å; D405-K513 WeakPolarHBondContact OD2-CE 3.39Å; D405-K513 IonicContact OD2-NZ 3.58Å; D405-K513 PolarHBondContact OD2-NZ 2.89Å
406D66.3Low79.4Confident77 Ų7764 Ų6441%0.41233%0.33SS..  trans-104.9101.4174.5-162.2-20.1000111.4D404 E408 D409D404-D406 PolarHBondContact O-N 2.95Å; D406-E408 PolarHBondContact O-N 2.72Å; D406-E408 WeakPolarHBondContact OD1-CB 3.19Å; D406-E408 PolarHBondContact OD1-N 2.87Å; D406-D409 HydrophobicContact CB-CB 3.95Å; D406-D409 PolarHBondContact O-N 2.83Å
407P60.2Low79.3Confident126 Ų12664 Ų6482%0.81833%0.331SS*.THydrogen-bonded Turntrans-68.9-10.4179.128.9-34.1000113.5D405D405-P407 WeakPolarHBondContact O-CD 3.28Å
408E60.1Low79.4Confident162 Ų16263.3 Ų63.376%0.75733%0.328SS*.THydrogen-bonded Turntrans-91.1-7.9172.8-62.8-173.3172.500112.6D406D406-E408 PolarHBondContact O-N 2.72Å; D406-E408 WeakPolarHBondContact OD1-CB 3.19Å; D406-E408 PolarHBondContact OD1-N 2.87Å
409D64.1Low79.4Confident47 Ų4763.2 Ų63.225%0.25133%0.327SS..  trans-110.4128178.9-152.4-33.1000111.8D406 E411 R484D406-D409 HydrophobicContact CB-CB 3.95Å; D406-D409 PolarHBondContact O-N 2.83Å; D409-E411 WeakPolarHBondContact OD1-CB 3.23Å; D409-E411 PolarHBondContact OD1-N 3.4Å; D409-R484 IonicContact OD2-CZ 3.83Å; D409-R484 IonicContact OD2-NH1 3.84Å; D409-R484 PolarHBondContact OD2-NH1 2.88Å; D409-R484 IonicContact OD2-NH2 3.28Å; D409-R484 PolarHBondContact OD2-NH2 3.44Å
410N67.4Low79.6Confident165 Ų16559.8 Ų59.888%0.88231%0.314SS*.  trans-93.7-1.2179.5-66.8-40.1000112.4
411E73.7Confident79.8Confident128 Ų12859.7 Ų59.760%0.59831%0.314SS*.SBendtrans-88.8126.4-179.9-63.6-172.1172.800111.9D409 V413D409-E411 WeakPolarHBondContact OD1-CB 3.23Å; D409-E411 PolarHBondContact OD1-N 3.4Å; E411-V413 HydrophobicContact CB-CG1 3.96Å; E411-V413 HydrophobicContact CB-CG2 4.4Å; E411-V413 PolarHBondContact O-N 3.45Å
412V80.1Confident80.2Confident86 Ų8654.7 Ų54.752%0.52129%0.288SS..  trans-74.387.3172.8174.80000109.3E403 P487E403-V412 HydrophobicContact CB-CG1 4.48Å; E403-V412 VanDerWaalsContact OE2-CG1 3.22Å; E403-V412 WeakPolarHBondContact OE2-CG1 3.45Å; E403-V412 WeakPolarHBondContact OE2-CG2 3.38Å; V412-P487 HydrophobicContact CG1-CG 4.06Å
413V85.3Confident80.7Confident15 Ų1551 Ų519%0.09127%0.27CS..  trans-136.5154-175.4-62.40000111.8E403 D404 E411 R484E403-V413 WeakPolarHBondContact CA-O 3.48Å; D404-V413 PolarHBondContact N-O 2.87Å; E411-V413 HydrophobicContact CB-CG1 3.96Å; E411-V413 HydrophobicContact CB-CG2 4.4Å; E411-V413 PolarHBondContact O-N 3.45Å; V413-R484 HydrophobicContact CB-CB 4.34Å; V413-R484 HydrophobicContact CG2-CB 4.36Å
414C87.1Confident80.7Confident0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-109.2124.1172.2-53.10000108.6L400 E402 R484 L485L400-C414 HydrophobicContact CB-CB 4.04Å; L400-C414 HydrophobicContact CD1-CB 4.07Å; L400-C414 HydrophobicContact CD2-CB 4.18Å; L400-C414 HydrophobicContact CG-CB 4.31Å; E402-C414 PolarHBondContact O-SG 3.27Å; C414-R484 WeakPolarHBondContact O-CA 3.26Å; C414-L485 PolarHBondContact N-O 3.24Å; C414-L485 PolarHBondContact O-N 3.29Å
415T84.6Confident80.9Confident10 Ų1050 Ų506%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-91.4128.2176.2-66.70000110.8D404 R482 F483 E512D404-T415 VanDerWaalsContact CG-N 3.3Å; D404-T415 PolarHBondContact OD1-N 3.29Å; D404-T415 WeakPolarHBondContact OD2-CB 3.49Å; D404-T415 PolarHBondContact OD2-N 3.15Å; D404-T415 PolarHBondContact OD2-OG1 3.28Å; T415-R482 HydrophobicContact CG2-CG 4.26Å; T415-F483 WeakPolarHBondContact CA-O 3.38Å; T415-E512 PolarHBondContact O-N 3.31Å
416F88.4Confident81.3Confident0 Ų045.6 Ų45.60%024%0.24CC..EExtended strand (participates in β ladder)trans-148161176.466.7-80.1000112L398 L400 V418 I442 R482 F483 L485 V509 F510L398-F416 HydrophobicContact CD2-CD2 4.06Å; L398-F416 HydrophobicContact CD2-CE1 4.33Å; L398-F416 HydrophobicContact CD2-CE2 3.58Å; L398-F416 HydrophobicContact CD2-CZ 3.74Å; L400-F416 HydrophobicContact CD1-CD1 4Å; L400-F416 HydrophobicContact CD1-CE1 3.62Å; L400-F416 HydrophobicContact CD1-CZ 4.4Å; L400-F416 HydrophobicContact CD2-CD1 3.99Å; L400-F416 HydrophobicContact CD2-CE1 4.32Å; L400-F416 HydrophobicContact CD2-CG 4.46Å; F416-V418 HydrophobicContact CD2-CG2 3.69Å; F416-V418 HydrophobicContact CE2-CG2 3.53Å; F416-I442 HydrophobicContact CE2-CD1 3.95Å; F416-I442 HydrophobicContact CZ-CD1 4.11Å; F416-R482 WeakPolarHBondContact O-CA 3.27Å; F416-F483 HydrophobicContact CD1-CB 4.29Å; F416-F483 HydrophobicContact CD2-CB 4.48Å; F416-F483 HydrophobicContact CD2-CD2 4.36Å; F416-F483 HydrophobicContact CE1-CB 3.72Å; F416-F483 HydrophobicContact CE2-CB 3.96Å; F416-F483 AromaticContact CE2-CD2 3.79Å; F416-F483 HydrophobicContact CE2-CD2 3.79Å; F416-F483 HydrophobicContact CE2-CG 4.22Å; F416-F483 HydrophobicContact CZ-CB 3.54Å; F416-F483 HydrophobicContact CZ-CD2 4.14Å; F416-F483 HydrophobicContact CZ-CG 4.1Å; F416-F483 PolarHBondContact N-O 2.98Å; F416-F483 PolarHBondContact O-N 3.08Å; F416-L485 HydrophobicContact CE1-CB 4.1Å; F416-L485 HydrophobicContact CE1-CD1 3.9Å; F416-L485 HydrophobicContact CE1-CG 3.95Å; F416-L485 HydrophobicContact CZ-CD1 3.69Å; F416-L485 HydrophobicContact CZ-CG 4.17Å; F416-V509 HydrophobicContact CB-CG1 4.31Å; F416-V509 HydrophobicContact CD2-CG1 3.94Å; F416-F510 CarbonylContact C-O 3.36Å; F416-F510 WeakPolarHBondContact CA-O 3.39Å; F416-F510 VanDerWaalsContact CB-O 3.27Å; F416-F510 WeakPolarHBondContact CB-O 3.46Å
417V90.2Very high81.5Confident1 Ų147.3 Ų47.31%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-123.4127.1177.8-177.50000107.9V216 W365 T480 Q481 R482 V509 F510V216-V417 HydrophobicContact CG2-CB 4.35Å; V216-V417 HydrophobicContact CG2-CG1 3.72Å; W365-V417 HydrophobicContact CH2-CG2 4.22Å; W365-V417 HydrophobicContact CZ3-CG2 4.41Å; V417-T480 HydrophobicContact CG1-CG2 3.22Å; V417-Q481 WeakPolarHBondContact CA-O 3.18Å; V417-R482 HydrophobicContact CG2-CB 4.07Å; V417-R482 HydrophobicContact CG2-CG 4.13Å; V417-V509 WeakPolarHBondContact O-CA 3.13Å; V417-F510 HydrophobicContact CB-CB 4.25Å; V417-F510 PolarHBondContact N-O 3.05Å; V417-F510 PolarHBondContact O-N 3.02Å
418V93.9Very high82.4Confident0 Ų044.2 Ų44.20%022%0.219CC..EExtended strand (participates in β ladder)trans-104.7126.2173.9-178.40000108.4F416 F440 I442 T480 Q481 F483 I492 L507 R508 V509F416-V418 HydrophobicContact CD2-CG2 3.69Å; F416-V418 HydrophobicContact CE2-CG2 3.53Å; V418-F440 HydrophobicContact CB-CE1 4.28Å; V418-F440 HydrophobicContact CB-CE2 3.7Å; V418-F440 HydrophobicContact CB-CZ 3.57Å; V418-F440 HydrophobicContact CG1-CD1 4.25Å; V418-F440 HydrophobicContact CG1-CD2 4.03Å; V418-F440 HydrophobicContact CG1-CE1 3.91Å; V418-F440 HydrophobicContact CG1-CE2 3.67Å; V418-F440 HydrophobicContact CG1-CG 4.31Å; V418-F440 HydrophobicContact CG1-CZ 3.61Å; V418-F440 HydrophobicContact CG2-CE2 4.32Å; V418-I442 HydrophobicContact CG2-CD1 4.18Å; V418-T480 VanDerWaalsContact O-CA 3.29Å; V418-T480 WeakPolarHBondContact O-CA 3.37Å; V418-Q481 PolarHBondContact N-O 3.49Å; V418-Q481 PolarHBondContact O-N 3.37Å; V418-F483 HydrophobicContact CB-CE2 4.15Å; V418-F483 HydrophobicContact CG2-CD2 4.11Å; V418-F483 HydrophobicContact CG2-CE2 4.08Å; V418-I492 HydrophobicContact CG1-CD1 4.4Å; V418-I492 HydrophobicContact CG1-CG2 4.34Å; V418-I492 HydrophobicContact CG2-CD1 4.08Å; V418-L507 HydrophobicContact CG1-CD1 3.6Å; V418-R508 WeakPolarHBondContact CA-O 3.39Å; V418-V509 HydrophobicContact CG2-CG1 4.44Å; V418-V509 HydrophobicContact CG2-CG2 4.37Å
419S93.9Very high83.2Confident0 Ų040.4 Ų40.40%020%0.197CC..EExtended strand (participates in β ladder)trans-118.7121.3178.8130.70000108.7E478 T480 L507 R508S419-E478 WeakPolarHBondContact CB-OE1 3.38Å; S419-E478 VanDerWaalsContact OG-CD 3.25Å; S419-E478 PolarHBondContact OG-OE1 3.42Å; S419-T480 WeakPolarHBondContact CB-OG1 3.29Å; S419-L507 CarbonylContact O-C 3.39Å; S419-L507 WeakPolarHBondContact O-CA 3.39Å; S419-R508 PolarHBondContact N-O 2.8Å; S419-R508 PolarHBondContact O-N 2.9Å; S419-R508 PolarHBondContact OG-NE 2.83Å; S419-R508 PolarHBondContact OG-NH2 3.47Å
420L95.6Very high83.5Confident0 Ų044.8 Ų44.80%021%0.214CC..EExtended strand (participates in β ladder)trans-116.8112.9176.2174.863.6000109.2W374 I438 G439 F440 E478 V479 P494 F505 L507W374-L420 HydrophobicContact CZ2-CD1 4.44Å; W374-L420 HydrophobicContact CZ2-CD2 4.38Å; L420-I438 HydrophobicContact CD2-CB 4.34Å; L420-I438 HydrophobicContact CG-CD1 4.3Å; L420-I438 WeakPolarHBondContact O-CD1 3.14Å; L420-G439 VanDerWaalsContact CD2-O 3.26Å; L420-G439 WeakPolarHBondContact CD2-O 3.21Å; L420-F440 HydrophobicContact CB-CD1 3.89Å; L420-F440 HydrophobicContact CB-CE1 4.35Å; L420-F440 HydrophobicContact CD2-CB 4.39Å; L420-F440 HydrophobicContact CD2-CD1 4.23Å; L420-E478 CarbonylContact O-C 3.53Å; L420-E478 VanDerWaalsContact O-CA 3.3Å; L420-E478 WeakPolarHBondContact O-CA 3.43Å; L420-V479 PolarHBondContact N-O 2.97Å; L420-V479 PolarHBondContact O-N 2.82Å; L420-P494 HydrophobicContact CD1-CB 3.56Å; L420-P494 HydrophobicContact CD2-CB 3.66Å; L420-P494 HydrophobicContact CG-CB 4.22Å; L420-F505 HydrophobicContact CD1-CB 3.98Å; L420-F505 HydrophobicContact CD1-CD2 3.49Å; L420-F505 VanDerWaalsContact CD1-CD2 3.49Å; L420-F505 HydrophobicContact CD1-CE2 4.18Å; L420-F505 HydrophobicContact CD1-CG 3.88Å; L420-L507 HydrophobicContact CB-CD1 4.27Å; L420-L507 HydrophobicContact CD1-CD1 4.33Å
421M93.7Very high83.8Confident0 Ų043.4 Ų43.40%020%0.204CC..EExtended strand (participates in β ladder)trans-120.1130-176.1175.3-169.5-55.300112W149 Y151 E210 R477 E478 F505 I506W149-M421 HydrophobicContact CH2-CE 4.28Å; W149-M421 HydrophobicContact CH2-SD 4.5Å; W149-M421 HydrophobicContact CZ3-CE 3.96Å; W149-M421 HydrophobicContact CZ3-SD 4.17Å; Y151-M421 HydrophobicContact CD1-CG 4.46Å; Y151-M421 HydrophobicContact CD1-SD 3.7Å; Y151-M421 HydrophobicContact CE1-CG 4.42Å; Y151-M421 HydrophobicContact CE1-SD 3.88Å; E210-M421 WeakPolarHBondContact OE2-CE 3.4Å; M421-R477 CarbonylContact C-O 3.51Å; M421-R477 VanDerWaalsContact CA-O 3.29Å; M421-R477 WeakPolarHBondContact CA-O 3.29Å; M421-R477 HydrophobicContact CG-CG 4.23Å; M421-R477 WeakPolarHBondContact CG-O 3.5Å; M421-E478 HydrophobicContact CB-CB 3.94Å; M421-E478 HydrophobicContact CB-CG 4.16Å; M421-E478 HydrophobicContact CE-CB 4.22Å; M421-E478 VanDerWaalsContact CE-OE1 3.27Å; M421-E478 WeakPolarHBondContact CE-OE1 3.21Å; M421-E478 HydrophobicContact CG-CB 4.24Å; M421-F505 CarbonylContact O-C 3.43Å; M421-F505 WeakPolarHBondContact O-CA 3.5Å; M421-F505 VanDerWaalsContact O-CB 3.3Å; M421-F505 WeakPolarHBondContact O-CB 3.23Å; M421-I506 HydrophobicContact CB-CG2 3.61Å; M421-I506 HydrophobicContact CG-CG2 4.12Å; M421-I506 PolarHBondContact N-O 2.87Å; M421-I506 PolarHBondContact O-N 3.37Å; M421-I506 HydrophobicContact SD-CG2 4.14Å
422Q92.9Very high83.8Confident3 Ų340 Ų401%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-86.6140.4174.763.6-174-65.800111.8R425 L435 F436 I438 L476 R477Q422-R425 HydrophobicContact CG-CG 4.34Å; Q422-L435 HydrophobicContact CG-CD2 3.93Å; Q422-F436 PolarHBondContact NE2-O 2.7Å; Q422-I438 HydrophobicContact CB-CD1 4.26Å; Q422-I438 HydrophobicContact CG-CD1 4.26Å; Q422-L476 PolarHBondContact NE2-O 3.27Å; Q422-R477 PolarHBondContact N-O 2.81Å
423K90.2Very high83.6Confident18 Ų1837.1 Ų37.18%0.07819%0.189CC..  trans-93.5154.4-173.4-53.7-169.4-178.7-170.50113.6Y151 E371 R425 E504Y151-K423 HydrophobicContact CD1-CB 4.14Å; Y151-K423 HydrophobicContact CD1-CD 4.31Å; Y151-K423 HydrophobicContact CD1-CG 3.7Å; Y151-K423 HydrophobicContact CD2-CB 4.33Å; Y151-K423 HydrophobicContact CD2-CD 4.33Å; Y151-K423 HydrophobicContact CD2-CG 4.32Å; Y151-K423 HydrophobicContact CE1-CB 4.04Å; Y151-K423 HydrophobicContact CE1-CG 4.08Å; Y151-K423 HydrophobicContact CE2-CB 4.21Å; Y151-K423 HydrophobicContact CG-CB 4.29Å; Y151-K423 HydrophobicContact CG-CD 3.95Å; Y151-K423 HydrophobicContact CG-CG 3.84Å; E371-K423 IonicContact OE1-NZ 3.84Å; E371-K423 PolarHBondContact OE1-NZ 2.65Å; E371-K423 IonicContact OE2-NZ 2.84Å; K423-R425 PolarHBondContact O-N 3.39Å; K423-E504 HydrophobicContact CB-CB 4.1Å; K423-E504 HydrophobicContact CD-CB 4.02Å; K423-E504 HydrophobicContact CG-CB 4.17Å; K423-E504 PolarHBondContact N-O 3.08Å
424N81.3Confident83.4Confident66 Ų6642.8 Ų42.835%0.35322%0.218SC..SBendtrans59.3-1.5165.3-61.9-42.7000119.5Y151 R426 K427Y151-N424 WeakPolarHBondContact CE2-OD1 3.49Å; Y151-N424 PolarHBondContact OH-N 3.21Å; N424-R426 PolarHBondContact O-N 3.47Å; N424-K427 PolarHBondContact O-N 3.12Å
425R80.4Confident83.5Confident36 Ų3644.9 Ų44.914%0.13623%0.229CC..THydrogen-bonded Turntrans-61.1-32.5-175.7-63-59.3169130.6129116.6Q422 K423 K427 E428 R429 L435 F436 E502Q422-R425 HydrophobicContact CG-CG 4.34Å; K423-R425 PolarHBondContact O-N 3.39Å; R425-K427 PolarHBondContact O-N 3.47Å; R425-E428 IonicContact NE-OE2 3.26Å; R425-E428 PolarHBondContact O-N 2.81Å; R425-R429 PolarHBondContact O-N 3.16Å; R425-L435 HydrophobicContact CB-CD2 3.77Å; R425-L435 HydrophobicContact CG-CD2 4.18Å; R425-F436 VanDerWaalsContact CZ-CZ 3.41Å; R425-F436 VanDerWaalsContact NH1-CE2 3.26Å; R425-F436 VanDerWaalsContact NH2-CD1 3.28Å; R425-F436 VanDerWaalsContact NH2-CG 3.33Å; R425-E502 PolarHBondContact NH1-O 3.2Å
426R77.3Confident83.9Confident17 Ų1745.7 Ų45.76%0.06423%0.232CC..THydrogen-bonded Turntrans-65.3-39.6-179.8-170.8174.6-79.5-89.85.7111.8H194 A199 G202 G203 E207 N424 E428 R429H194-R426 HydrophobicContact CB-CG 4.48Å; H194-R426 WeakPolarHBondContact ND1-CD 3.43Å; A199-R426 WeakPolarHBondContact O-CD 3.34Å; A199-R426 WeakPolarHBondContact O-CG 3.03Å; A199-R426 PolarHBondContact O-NH1 2.88Å; G202-R426 PolarHBondContact O-NH1 2.84Å; G202-R426 PolarHBondContact O-NH2 2.97Å; G203-R426 VanDerWaalsContact CA-NH2 3.3Å; E207-R426 IonicContact OE1-NH2 2.63Å; E207-R426 IonicContact OE2-CZ 3.69Å; E207-R426 IonicContact OE2-NE 3.99Å; E207-R426 IonicContact OE2-NH2 2.65Å; E207-R426 PolarHBondContact OE2-NH2 3.29Å; N424-R426 PolarHBondContact O-N 3.47Å; R426-E428 PolarHBondContact O-N 2.84Å; R426-R429 WeakPolarHBondContact O-CB 3.45Å; R426-R429 WeakPolarHBondContact O-CG 3.28Å; R426-R429 PolarHBondContact O-N 3.23Å
427K72.1Confident84.3Confident114 Ų11448.1 Ų48.150%0.49625%0.247SC..G310 helixtrans-63.5-28.9175.9-174.1179.3179.2-179.60112.5N424 R425N424-K427 PolarHBondContact O-N 3.12Å; R425-K427 PolarHBondContact O-N 3.47Å
428E78.3Confident84.6Confident60 Ų6048 Ų4828%0.2825%0.246SC..G310 helixtrans-86.8-3.8-178.3-60.5177166.600113.5R425 R426 K430 M431 G432 A433R425-E428 IonicContact NE-OE2 3.26Å; R425-E428 PolarHBondContact O-N 2.81Å; R426-E428 PolarHBondContact O-N 2.84Å; E428-K430 PolarHBondContact O-N 2.91Å; E428-M431 HydrophobicContact CB-CE 3.81Å; E428-M431 HydrophobicContact CG-CE 3.68Å; E428-M431 CarbonylContact O-C 3.07Å; E428-M431 WeakPolarHBondContact O-CA 3.36Å; E428-M431 WeakPolarHBondContact O-CB 3.37Å; E428-M431 PolarHBondContact O-N 3.46Å; E428-G432 PolarHBondContact O-N 3.36Å; E428-A433 HydrophobicContact CB-CB 3.45Å; E428-A433 VanDerWaalsContact CB-CB 3.45Å; E428-A433 WeakPolarHBondContact O-CB 3.42Å; E428-A433 PolarHBondContact O-N 3.13Å
429R76.4Confident84.8Confident83 Ų8348 Ų4831%0.31325%0.246SC..G310 helixtrans-56.5-32.9176.5-78.5-174.6176-175.53113.2F65 K201 G202 R425 R426 M431 G432F65-R429 HydrophobicContact CZ-CB 4.35Å; K201-R429 PolarHBondContact O-NH1 2.78Å; G202-R429 PolarHBondContact O-NH1 2.93Å; G202-R429 PolarHBondContact O-NH2 2.88Å; R425-R429 PolarHBondContact O-N 3.16Å; R426-R429 WeakPolarHBondContact O-CB 3.45Å; R426-R429 WeakPolarHBondContact O-CG 3.28Å; R426-R429 PolarHBondContact O-N 3.23Å; R429-M431 PolarHBondContact O-N 2.67Å; R429-G432 PolarHBondContact O-N 2.94Å
430K71.4Confident85Confident138 Ų13848 Ų4860%0.625%0.246SC*.G310 helixtrans-60.6-23.9174.169.6-178.8-179.5174.90113F65 E428F65-K430 HydrophobicContact CD1-CB 3.96Å; F65-K430 HydrophobicContact CD2-CB 4.39Å; F65-K430 HydrophobicContact CE1-CB 4.24Å; F65-K430 HydrophobicContact CG-CB 4.05Å; E428-K430 PolarHBondContact O-N 2.91Å
431M73.9Confident85.1Confident137 Ų13748.4 Ų48.468%0.67525%0.249SC*.G310 helixtrans-96.45.5175.4-53.5-172.5-65.200112.4E428 R429E428-M431 HydrophobicContact CB-CE 3.81Å; E428-M431 HydrophobicContact CG-CE 3.68Å; E428-M431 CarbonylContact O-C 3.07Å; E428-M431 WeakPolarHBondContact O-CA 3.36Å; E428-M431 WeakPolarHBondContact O-CB 3.37Å; E428-M431 PolarHBondContact O-N 3.46Å; R429-M431 PolarHBondContact O-N 2.67Å
432G72.7Confident85.3Confident57 Ų5748.4 Ų48.459%0.58825%0.249SC*.THydrogen-bonded Turntrans859.6-179.600000115.1E428 R429E428-G432 PolarHBondContact O-N 3.36Å; R429-G432 PolarHBondContact O-N 2.94Å
433A75.8Confident85.5Confident25 Ų2548.5 Ų48.521%0.20725%0.249CC..  trans-66.1137.4178.700000111.9E428E428-A433 HydrophobicContact CB-CB 3.45Å; E428-A433 VanDerWaalsContact CB-CB 3.45Å; E428-A433 WeakPolarHBondContact O-CB 3.42Å; E428-A433 PolarHBondContact O-N 3.13Å
434N81.8Confident85.8Confident133 Ų13351.6 Ų51.671%0.71126%0.264SS*.  trans-109.5160171.5-71-45000110.3
435L89.4Confident86.4Confident44 Ų4448.6 Ų48.623%0.2325%0.248CC..  trans-64.1135.5168.5-68.8168.1000109.3Q422 R425 N475 R477Q422-L435 HydrophobicContact CG-CD2 3.93Å; R425-L435 HydrophobicContact CB-CD2 3.77Å; R425-L435 HydrophobicContact CG-CD2 4.18Å; L435-N475 HydrophobicContact CB-CB 4.46Å; L435-N475 WeakPolarHBondContact CD1-O 3.46Å; L435-R477 HydrophobicContact CD2-CB 4.41Å
436F92.8Very high87Confident28 Ų2848.6 Ų48.612%0.12325%0.253CS..  trans-70.1149.5170.2-66.8-41.7000110.5Q422 R425 I438 N475 T496 Q501 E502Q422-F436 PolarHBondContact NE2-O 2.7Å; R425-F436 VanDerWaalsContact CZ-CZ 3.41Å; R425-F436 VanDerWaalsContact NH1-CE2 3.26Å; R425-F436 VanDerWaalsContact NH2-CD1 3.28Å; R425-F436 VanDerWaalsContact NH2-CG 3.33Å; F436-I438 HydrophobicContact CB-CG2 3.86Å; F436-I438 PolarHBondContact O-N 2.88Å; F436-N475 WeakPolarHBondContact O-CA 3.33Å; F436-T496 HydrophobicContact CB-CG2 4.11Å; F436-T496 HydrophobicContact CD2-CG2 3.88Å; F436-T496 HydrophobicContact CE2-CG2 4.44Å; F436-T496 HydrophobicContact CG-CG2 4.16Å; F436-Q501 HydrophobicContact CD1-CB 4.25Å; F436-Q501 HydrophobicContact CD1-CG 4.31Å; F436-Q501 HydrophobicContact CD2-CB 4.49Å; F436-Q501 HydrophobicContact CE1-CB 3.85Å; F436-Q501 HydrophobicContact CE1-CG 4.01Å; F436-Q501 HydrophobicContact CE2-CB 4.06Å; F436-Q501 HydrophobicContact CZ-CB 3.71Å; F436-Q501 HydrophobicContact CZ-CG 4.37Å; F436-E502 WeakPolarHBondContact CE2-O 3.4Å; F436-E502 WeakPolarHBondContact CZ-O 3.32Å
437T96.1Very high87.6Confident50 Ų5056.3 Ų56.331%0.30729%0.287SS..  trans-73.9107.1165.8-49.90000108Y473 T496 Y497T437-Y473 WeakPolarHBondContact CG2-O 3.13Å; T437-T496 CarbonylContact O-C 3.22Å; T437-Y497 PolarHBondContact O-N 3.43Å
438I97.6Very high88.4Confident0 Ų059.7 Ų59.70%031%0.305CS..EExtended strand (participates in β ladder)trans-116.2160-175.262.4176.8000111.5W374 L420 Q422 F436 Y473 I474 V479 T496W374-I438 HydrophobicContact CH2-CB 4.42Å; W374-I438 HydrophobicContact CH2-CG2 3.75Å; W374-I438 HydrophobicContact CZ3-CG2 4.1Å; L420-I438 HydrophobicContact CD2-CB 4.34Å; L420-I438 HydrophobicContact CG-CD1 4.3Å; L420-I438 WeakPolarHBondContact O-CD1 3.14Å; Q422-I438 HydrophobicContact CB-CD1 4.26Å; Q422-I438 HydrophobicContact CG-CD1 4.26Å; F436-I438 HydrophobicContact CB-CG2 3.86Å; F436-I438 PolarHBondContact O-N 2.88Å; I438-Y473 VanDerWaalsContact C-CD1 3.48Å; I438-Y473 VanDerWaalsContact O-CA 3.31Å; I438-Y473 WeakPolarHBondContact O-CA 3.3Å; I438-I474 PolarHBondContact N-O 3.38Å; I438-I474 PolarHBondContact O-N 3.04Å; I438-I474 VanDerWaalsContact O-N 3.11Å; I438-V479 HydrophobicContact CD1-CG2 4.26Å; I438-V479 HydrophobicContact CG1-CG2 3.71Å; I438-T496 HydrophobicContact CG2-CG2 4.19Å
439G97.8Very high88.8Confident0 Ų059.5 Ų59.50%030%0.304CS..EExtended strand (participates in β ladder)trans-174.7-178.5176.200000111.3L420 S495L420-G439 VanDerWaalsContact CD2-O 3.26Å; L420-G439 WeakPolarHBondContact CD2-O 3.21Å; G439-S495 PolarHBondContact N-O 2.76Å; G439-S495 PolarHBondContact O-N 2.91Å
440F98.1Very high89.3Confident0 Ų059.2 Ų59.20%031%0.307CS..EExtended strand (participates in β ladder)trans-149.5157-179.958.1-94.5000111.9V418 L420 I442 R469 S470 V479 Q481 F483 I492 V493 P494V418-F440 HydrophobicContact CB-CE1 4.28Å; V418-F440 HydrophobicContact CB-CE2 3.7Å; V418-F440 HydrophobicContact CB-CZ 3.57Å; V418-F440 HydrophobicContact CG1-CD1 4.25Å; V418-F440 HydrophobicContact CG1-CD2 4.03Å; V418-F440 HydrophobicContact CG1-CE1 3.91Å; V418-F440 HydrophobicContact CG1-CE2 3.67Å; V418-F440 HydrophobicContact CG1-CG 4.31Å; V418-F440 HydrophobicContact CG1-CZ 3.61Å; V418-F440 HydrophobicContact CG2-CE2 4.32Å; L420-F440 HydrophobicContact CB-CD1 3.89Å; L420-F440 HydrophobicContact CB-CE1 4.35Å; L420-F440 HydrophobicContact CD2-CB 4.39Å; L420-F440 HydrophobicContact CD2-CD1 4.23Å; F440-I442 HydrophobicContact CD2-CG1 4.3Å; F440-I442 HydrophobicContact CE2-CD1 4.33Å; F440-R469 WeakPolarHBondContact O-CA 3.46Å; F440-R469 WeakPolarHBondContact O-CB 3.38Å; F440-S470 PolarHBondContact N-OG 2.92Å; F440-S470 PolarHBondContact O-N 3.26Å; F440-V479 HydrophobicContact CE1-CG1 4.29Å; F440-Q481 HydrophobicContact CZ-CB 4.05Å; F440-F483 AromaticContact CE2-CE2 3.52Å; F440-F483 HydrophobicContact CE2-CE2 3.52Å; F440-F483 AromaticContact CE2-CZ 3.61Å; F440-F483 HydrophobicContact CE2-CZ 3.61Å; F440-F483 AromaticContact CZ-CE2 3.84Å; F440-F483 HydrophobicContact CZ-CE2 3.84Å; F440-F483 HydrophobicContact CZ-CZ 4.05Å; F440-I492 HydrophobicContact CB-CG2 4.3Å; F440-I492 HydrophobicContact CD2-CG2 4.29Å; F440-V493 VanDerWaalsContact CA-O 3.28Å; F440-V493 WeakPolarHBondContact CA-O 3.47Å; F440-P494 HydrophobicContact CB-CB 4.45Å
441A97.9Very high89.6Confident7 Ų754.7 Ų54.76%0.05830%0.299CS..EExtended strand (participates in β ladder)trans-125.1149.1174.400000110.6F390 Y443 R469 I492 V493F390-A441 HydrophobicContact CZ-CB 4.38Å; A441-Y443 HydrophobicContact CB-CD2 4.4Å; A441-Y443 HydrophobicContact CB-CE2 3.67Å; A441-R469 HydrophobicContact CB-CB 4.36Å; A441-I492 CarbonylContact O-C 3.55Å; A441-I492 WeakPolarHBondContact O-CA 3.39Å; A441-V493 PolarHBondContact N-O 2.78Å; A441-V493 VanDerWaalsContact N-O 3.11Å; A441-V493 PolarHBondContact O-N 2.81Å
442I98.1Very high89.8Confident0 Ų050.7 Ų50.70%028%0.28CS..EExtended strand (participates in β ladder)trans-121.5123.7-179.1-51.5-179.8000108.2F416 V418 F440 S466 K467 A468 F483 L485 Y490 V491 I492F416-I442 HydrophobicContact CE2-CD1 3.95Å; F416-I442 HydrophobicContact CZ-CD1 4.11Å; V418-I442 HydrophobicContact CG2-CD1 4.18Å; F440-I442 HydrophobicContact CD2-CG1 4.3Å; F440-I442 HydrophobicContact CE2-CD1 4.33Å; I442-S466 CarbonylContact O-C 3.57Å; I442-S466 WeakPolarHBondContact O-CA 3.3Å; I442-K467 PolarHBondContact O-N 3.03Å; I442-A468 WeakPolarHBondContact CA-O 3.49Å; I442-A468 HydrophobicContact CB-CB 4.17Å; I442-A468 HydrophobicContact CD1-CB 4.27Å; I442-A468 PolarHBondContact N-O 2.78Å; I442-A468 PolarHBondContact O-N 2.93Å; I442-F483 HydrophobicContact CD1-CD2 3.95Å; I442-F483 HydrophobicContact CD1-CE2 3.87Å; I442-F483 HydrophobicContact CD1-CG 4.33Å; I442-F483 HydrophobicContact CD1-CZ 4.17Å; I442-L485 HydrophobicContact CG2-CD1 4.28Å; I442-Y490 HydrophobicContact CG2-CD1 4.13Å; I442-Y490 HydrophobicContact CG2-CG 4.27Å; I442-V491 CarbonylContact C-O 3.5Å; I442-V491 VanDerWaalsContact CA-O 3.3Å; I442-V491 WeakPolarHBondContact CA-O 3.45Å; I442-I492 HydrophobicContact CG1-CG1 4.31Å
443Y97.1Very high89.9Confident5 Ų553.2 Ų53.22%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-112.8138.5179-69.1-97.3000109.9R384 F390 A441 F460 F461 N464 S465 Y490 V491 V493R384-Y443 WeakPolarHBondContact CD-OH 3.26Å; F390-Y443 HydrophobicContact CE1-CE2 4.06Å; F390-Y443 HydrophobicContact CZ-CE2 4.16Å; A441-Y443 HydrophobicContact CB-CD2 4.4Å; A441-Y443 HydrophobicContact CB-CE2 3.67Å; Y443-F460 HydrophobicContact CD1-CE1 4.41Å; Y443-F460 HydrophobicContact CG-CE1 4.22Å; Y443-F461 HydrophobicContact CD1-CD1 4.28Å; Y443-F461 HydrophobicContact CD2-CD1 4.04Å; Y443-F461 AromaticContact CD2-CE1 3.89Å; Y443-F461 HydrophobicContact CD2-CE1 3.89Å; Y443-F461 HydrophobicContact CE1-CD1 4.08Å; Y443-F461 AromaticContact CE2-CD1 3.83Å; Y443-F461 HydrophobicContact CE2-CD1 3.83Å; Y443-F461 HydrophobicContact CE2-CE1 4.01Å; Y443-F461 HydrophobicContact CG-CD1 4.26Å; Y443-F461 HydrophobicContact CG-CE1 4.29Å; Y443-F461 AromaticContact CZ-CD1 3.86Å; Y443-N464 HydrophobicContact CD1-CB 4.35Å; Y443-N464 WeakPolarHBondContact CE1-O 3.42Å; Y443-S465 WeakPolarHBondContact CD1-O 3.35Å; Y443-Y490 CarbonylContact O-C 3.28Å; Y443-Y490 WeakPolarHBondContact O-CA 3.31Å; Y443-Y490 WeakPolarHBondContact O-CB 3.45Å; Y443-V491 PolarHBondContact N-O 2.8Å; Y443-V491 PolarHBondContact O-N 2.91Å; Y443-V493 HydrophobicContact CD2-CG2 4.48Å
444E96.1Very high90.1Very high84 Ų8456.5 Ų56.539%0.39329%0.286SS..EExtended strand (participates in β ladder)trans-76.6135.6170.7-173.7173.7172.100109K467 Y490E444-K467 HydrophobicContact CB-CB 4.39Å; E444-K467 IonicContact OE2-NZ 2.95Å; E444-K467 PolarHBondContact OE2-NZ 2.8Å; E444-Y490 HydrophobicContact CB-CD1 4.01Å; E444-Y490 HydrophobicContact CB-CE1 3.87Å; E444-Y490 HydrophobicContact CG-CD1 4.36Å; E444-Y490 HydrophobicContact CG-CE1 3.93Å
445V93.7Very high90.4Very high2 Ų250.5 Ų50.51%0.01225%0.254CS..PPolyproline II helixtrans-91.9126.2178.9-172.50000109.3M449 H450 M456 E489 V491V445-M449 HydrophobicContact CG1-CB 3.75Å; V445-H450 PolarHBondContact O-CD2 3.37Å; V445-H450 PolarHBondContact O-NE2 2.99Å; V445-M456 HydrophobicContact CG1-CE 4.14Å; V445-E489 HydrophobicContact CB-CB 4.32Å; V445-E489 WeakPolarHBondContact CB-O 3.26Å; V445-E489 PolarHBondContact N-O 2.59Å; V445-V491 HydrophobicContact CG2-CG2 3.56Å
446P92.4Very high90.4Very high37 Ų3748.8 Ų48.824%0.2425%0.245CC..PPolyproline II helixtrans-52.8141.7172.1-28.535.5000111.9E448 M449 H450 F460P446-E448 PolarHBondContact O-N 2.93Å; P446-E448 VanDerWaalsContact O-N 3.11Å; P446-M449 HydrophobicContact CB-CE 4.04Å; P446-M449 VanDerWaalsContact CD-CE 3.49Å; P446-M449 HydrophobicContact CG-CE 3.56Å; P446-M449 PolarHBondContact O-N 3.05Å; P446-H450 PolarHBondContact O-CD2 2.82Å; P446-H450 PolarHBondContact O-N 2.78Å; P446-F460 HydrophobicContact CG-CE2 4.46Å
447K89.5Confident90.3Very high179 Ų17950.8 Ų50.878%0.77825%0.254SS*.G310 helixtrans-55.8-32.6-177-67.4-176.9177.9-179.30113.1M449 H450K447-M449 PolarHBondContact O-N 2.77Å; K447-H450 WeakPolarHBondContact O-CB 3.38Å; K447-H450 PolarHBondContact O-N 3.22Å
448E89.4Confident90.1Very high185 Ų18551.8 Ų51.886%0.86426%0.255SS*.G310 helixtrans-62.2-25.3176.7-60.1148.9-128.400113.1P446P446-E448 PolarHBondContact O-N 2.93Å; P446-E448 VanDerWaalsContact O-N 3.11Å
449M87.2Confident89.9Confident55 Ų5557 Ų5727%0.27128%0.282SS..G310 helixtrans-106.911.8-179.1-64.4-168.6-70.100112.6R397 V445 P446 K447 N452 F460R397-M449 PolarHBondContact NH2-O 3.46Å; V445-M449 HydrophobicContact CG1-CB 3.75Å; P446-M449 HydrophobicContact CB-CE 4.04Å; P446-M449 VanDerWaalsContact CD-CE 3.49Å; P446-M449 HydrophobicContact CG-CE 3.56Å; P446-M449 PolarHBondContact O-N 3.05Å; K447-M449 PolarHBondContact O-N 2.77Å; M449-N452 VanDerWaalsContact O-CB 3.29Å; M449-N452 WeakPolarHBondContact O-CB 3.04Å; M449-N452 PolarHBondContact O-N 2.94Å; M449-F460 HydrophobicContact CE-CD2 3.65Å; M449-F460 HydrophobicContact CE-CE2 3.71Å
450H86.9Confident89.7Confident78 Ų7857.8 Ų57.836%0.36129%0.286SS..THydrogen-bonded Turntrans-65.2140174.6-74.8-170.4000110.5V445 P446 K447 N452 E489V445-H450 PolarHBondContact O-CD2 3.37Å; V445-H450 PolarHBondContact O-NE2 2.99Å; P446-H450 PolarHBondContact O-CD2 2.82Å; P446-H450 PolarHBondContact O-N 2.78Å; K447-H450 WeakPolarHBondContact O-CB 3.38Å; K447-H450 PolarHBondContact O-N 3.22Å; H450-N452 PolarHBondContact O-N 3.28Å; H450-E489 WeakPolarHBondContact CA-OE2 3.32Å; H450-E489 IonicContact CD2-OE2 2.84Å; H450-E489 IonicContact CG-OE2 3.54Å
451G77.4Confident89.6Confident43 Ų4358 Ų5844%0.44329%0.287SS..THydrogen-bonded Turntrans74.7-8.9-174.500000115.4K453 E489G451-K453 PolarHBondContact O-N 3.18Å; G451-E489 PolarHBondContact N-OE2 3.46Å; G451-E489 VanDerWaalsContact N-OE2 3.1Å
452N78.6Confident89.5Confident53 Ų5361.8 Ų61.828%0.28331%0.306SS..  trans-67.1124.8171.3-169.5-3000110M449 H450 Q454M449-N452 VanDerWaalsContact O-CB 3.29Å; M449-N452 WeakPolarHBondContact O-CB 3.04Å; M449-N452 PolarHBondContact O-N 2.94Å; H450-N452 PolarHBondContact O-N 3.28Å; N452-Q454 VanDerWaalsContact OD1-CB 3.23Å; N452-Q454 WeakPolarHBondContact OD1-CB 3.33Å; N452-Q454 VanDerWaalsContact OD1-CG 3.27Å; N452-Q454 WeakPolarHBondContact OD1-CG 3.48Å; N452-Q454 PolarHBondContact OD1-N 2.78Å
453K74Confident89.3Confident109 Ų10968.9 Ų68.947%0.47434%0.343SS..  trans-97.84.1176.5-64.9-164.7172.3-153.30113.5G451 E518 I520 E521G451-K453 PolarHBondContact O-N 3.18Å; K453-E518 IonicContact NZ-OE2 3.16Å; K453-I520 VanDerWaalsContact O-CG2 3.24Å; K453-I520 WeakPolarHBondContact O-CG2 3.17Å; K453-E521 CarbonylContact O-C 3.57Å; K453-E521 VanDerWaalsContact O-O 3.11Å
454Q81.1Confident89.1Confident94 Ų9471.1 Ų71.144%0.43936%0.355SS..SBendtrans-74.9147.4178-67.7177.6-19.600112.1N452 M456 I520 N522N452-Q454 VanDerWaalsContact OD1-CB 3.23Å; N452-Q454 WeakPolarHBondContact OD1-CB 3.33Å; N452-Q454 VanDerWaalsContact OD1-CG 3.27Å; N452-Q454 WeakPolarHBondContact OD1-CG 3.48Å; N452-Q454 PolarHBondContact OD1-N 2.78Å; Q454-M456 PolarHBondContact O-N 3.4Å; Q454-I520 WeakPolarHBondContact O-CG2 3.21Å; Q454-N522 WeakPolarHBondContact CA-OD1 3.5Å
455H86.7Confident89.1Confident7 Ų772.2 Ų72.23%0.03237%0.372CS..PPolyproline II helixtrans-60.1128172.8-16990.3000111.4W391 N393 Q395 Q457 N522W391-H455 PolarHBondContact O-CE1 3.36Å; W391-H455 PolarHBondContact O-NE2 2.96Å; N393-H455 PolarHBondContact O-CE1 2.63Å; Q395-H455 PolarHBondContact NE2-CD2 3.35Å; Q395-H455 PolarHBondContact NE2-CE1 3.14Å; Q395-H455 VanDerWaalsContact NE2-CE1 3.26Å; Q395-H455 PolarHBondContact NE2-NE2 3.27Å; H455-Q457 PolarHBondContact O-N 3.02Å; H455-Q457 PolarHBondContact O-NE2 2.58Å; H455-N522 PolarHBondContact N-OD1 3.13Å
456M90.6Very high89.2Confident8 Ų873.9 Ų73.94%0.03938%0.384CS..PPolyproline II helixtrans-70.1129.4-179.8-61.6-66.6167.500110.6Q395 V445 Q454 F460 F461 V491Q395-M456 PolarHBondContact NE2-O 3.2Å; V445-M456 HydrophobicContact CG1-CE 4.14Å; Q454-M456 PolarHBondContact O-N 3.4Å; M456-F460 HydrophobicContact CB-CB 4.27Å; M456-F460 HydrophobicContact CB-CD1 3.76Å; M456-F460 HydrophobicContact CB-CE1 4.38Å; M456-F460 HydrophobicContact CB-CG 4.09Å; M456-F460 HydrophobicContact CG-CD1 4.01Å; M456-F460 HydrophobicContact CG-CE1 4.21Å; M456-F460 HydrophobicContact CG-CG 4.32Å; M456-F460 HydrophobicContact SD-CD1 4.35Å; M456-F460 HydrophobicContact SD-CD2 4.11Å; M456-F460 HydrophobicContact SD-CE2 4.35Å; M456-F460 HydrophobicContact SD-CG 4.11Å; M456-F461 HydrophobicContact CB-CE2 3.79Å; M456-F461 HydrophobicContact CB-CZ 3.8Å; M456-V491 HydrophobicContact CE-CG2 4.37Å; M456-V491 HydrophobicContact CG-CG2 4.34Å
457Q90.5Very high89.4Confident70 Ų7077 Ų7733%0.32739%0.394SS..PPolyproline II helixtrans-83.9169.8-176.4-62.4-60-37.100112.5H455 D459 F460 F461 N641H455-Q457 PolarHBondContact O-N 3.02Å; H455-Q457 PolarHBondContact O-NE2 2.58Å; Q457-D459 VanDerWaalsContact C-N 3.3Å; Q457-D459 PolarHBondContact O-N 2.88Å; Q457-F460 WeakPolarHBondContact O-CB 3.41Å; Q457-F460 PolarHBondContact O-N 3.15Å; Q457-F460 VanDerWaalsContact O-N 3.12Å; Q457-F461 WeakPolarHBondContact O-CD2 3.37Å; Q457-N641 PolarHBondContact OE1-OD1 3Å
458K92.1Very high89.7Confident72 Ų7269.1 Ų69.131%0.31336%0.362SS..Hα-helixtrans-47.6-48.7-179.7-173178-177.2175.80113.3D388 W391 F460 F461 L462D388-K458 WeakPolarHBondContact OD1-CE 3.27Å; D388-K458 IonicContact OD1-NZ 2.88Å; D388-K458 PolarHBondContact OD1-NZ 3.47Å; W391-K458 HydrophobicContact CB-CB 4.47Å; W391-K458 HydrophobicContact CD2-CB 4.28Å; W391-K458 HydrophobicContact CG-CB 3.9Å; K458-F460 VanDerWaalsContact C-N 3.26Å; K458-F460 PolarHBondContact O-N 3.06Å; K458-F461 PolarHBondContact O-N 3.29Å; K458-F461 VanDerWaalsContact O-N 3.1Å; K458-L462 HydrophobicContact CG-CD1 4.07Å; K458-L462 HydrophobicContact CG-CG 4.4Å; K458-L462 PolarHBondContact O-N 2.78Å
459D92.7Very high90Very high108 Ų10868.5 Ų68.558%0.57835%0.352SS*.Hα-helixtrans-61.4-33.7-175.6-68.6-16.6000113Q457 F461 L462 L463Q457-D459 VanDerWaalsContact C-N 3.3Å; Q457-D459 PolarHBondContact O-N 2.88Å; D459-F461 VanDerWaalsContact C-N 3.32Å; D459-F461 PolarHBondContact O-N 2.68Å; D459-L462 PolarHBondContact O-N 2.93Å; D459-L463 WeakPolarHBondContact O-CB 3.15Å; D459-L463 VanDerWaalsContact O-CG 3.26Å; D459-L463 WeakPolarHBondContact O-CG 3.39Å; D459-L463 PolarHBondContact O-N 2.87Å
460F94.4Very high90.3Very high18 Ų1866 Ų668%0.07934%0.34CS..Hα-helixtrans-56.6-47.3175.3172.8-97.6000111.2Y443 P446 M449 M456 Q457 K458 L462 L463 N464Y443-F460 HydrophobicContact CD1-CE1 4.41Å; Y443-F460 HydrophobicContact CG-CE1 4.22Å; P446-F460 HydrophobicContact CG-CE2 4.46Å; M449-F460 HydrophobicContact CE-CD2 3.65Å; M449-F460 HydrophobicContact CE-CE2 3.71Å; M456-F460 HydrophobicContact CB-CB 4.27Å; M456-F460 HydrophobicContact CB-CD1 3.76Å; M456-F460 HydrophobicContact CB-CE1 4.38Å; M456-F460 HydrophobicContact CB-CG 4.09Å; M456-F460 HydrophobicContact CG-CD1 4.01Å; M456-F460 HydrophobicContact CG-CE1 4.21Å; M456-F460 HydrophobicContact CG-CG 4.32Å; M456-F460 HydrophobicContact SD-CD1 4.35Å; M456-F460 HydrophobicContact SD-CD2 4.11Å; M456-F460 HydrophobicContact SD-CE2 4.35Å; M456-F460 HydrophobicContact SD-CG 4.11Å; Q457-F460 WeakPolarHBondContact O-CB 3.41Å; Q457-F460 PolarHBondContact O-N 3.15Å; Q457-F460 VanDerWaalsContact O-N 3.12Å; K458-F460 VanDerWaalsContact C-N 3.26Å; K458-F460 PolarHBondContact O-N 3.06Å; F460-L462 VanDerWaalsContact C-N 3.35Å; F460-L463 PolarHBondContact O-N 3.2Å; F460-N464 WeakPolarHBondContact CD2-ND2 3.39Å; F460-N464 VanDerWaalsContact O-CB 3.31Å; F460-N464 WeakPolarHBondContact O-CB 3.4Å; F460-N464 PolarHBondContact O-N 3.48Å; F460-N464 PolarHBondContact O-ND2 3.21Å
461F95.8Very high90.4Very high5 Ų568.8 Ų68.82%0.02235%0.351CS..Hα-helixtrans-78-19.1-178.2-60-71.8000113.8R384 F390 W391 Y443 M456 Q457 K458 D459 V493R384-F461 PolarHBondContact NE-O 3.47Å; R384-F461 PolarHBondContact NH2-O 3.17Å; F390-F461 HydrophobicContact CD1-CB 4.23Å; F390-F461 HydrophobicContact CD1-CD1 4.22Å; F390-F461 HydrophobicContact CD1-CD2 4.43Å; F390-F461 HydrophobicContact CD1-CG 4.04Å; F390-F461 HydrophobicContact CE1-CB 4.41Å; F390-F461 AromaticContact CE1-CD1 3.7Å; F390-F461 HydrophobicContact CE1-CD1 3.7Å; F390-F461 HydrophobicContact CE1-CE1 4.04Å; F390-F461 AromaticContact CE1-CG 4Å; F390-F461 HydrophobicContact CE1-CG 4Å; W391-F461 HydrophobicContact CB-CD2 3.53Å; W391-F461 HydrophobicContact CB-CE2 3.71Å; Y443-F461 HydrophobicContact CD1-CD1 4.28Å; Y443-F461 HydrophobicContact CD2-CD1 4.04Å; Y443-F461 AromaticContact CD2-CE1 3.89Å; Y443-F461 HydrophobicContact CD2-CE1 3.89Å; Y443-F461 HydrophobicContact CE1-CD1 4.08Å; Y443-F461 AromaticContact CE2-CD1 3.83Å; Y443-F461 HydrophobicContact CE2-CD1 3.83Å; Y443-F461 HydrophobicContact CE2-CE1 4.01Å; Y443-F461 HydrophobicContact CG-CD1 4.26Å; Y443-F461 HydrophobicContact CG-CE1 4.29Å; Y443-F461 AromaticContact CZ-CD1 3.86Å; M456-F461 HydrophobicContact CB-CE2 3.79Å; M456-F461 HydrophobicContact CB-CZ 3.8Å; Q457-F461 WeakPolarHBondContact O-CD2 3.37Å; K458-F461 PolarHBondContact O-N 3.29Å; K458-F461 VanDerWaalsContact O-N 3.1Å; D459-F461 VanDerWaalsContact C-N 3.32Å; D459-F461 PolarHBondContact O-N 2.68Å; F461-V493 HydrophobicContact CE1-CG2 3.75Å; F461-V493 HydrophobicContact CZ-CG2 3.91Å
462L94.3Very high91Very high86 Ų8670.4 Ų70.445%0.4536%0.356SS..Hα-helixtrans-76.5-39.2171.8-69.1179.5000111.6P387 K458 D459 F460P387-L462 HydrophobicContact CB-CD2 3.9Å; K458-L462 HydrophobicContact CG-CD1 4.07Å; K458-L462 HydrophobicContact CG-CG 4.4Å; K458-L462 PolarHBondContact O-N 2.78Å; D459-L462 PolarHBondContact O-N 2.93Å; F460-L462 VanDerWaalsContact C-N 3.35Å
463L94.2Very high91.8Very high148 Ų14870.6 Ų70.678%0.77535%0.353SS*.Hα-helixtrans-85.4-26.2-176.5-65.3170.9000113.5D459 F460D459-L463 WeakPolarHBondContact O-CB 3.15Å; D459-L463 VanDerWaalsContact O-CG 3.26Å; D459-L463 WeakPolarHBondContact O-CG 3.39Å; D459-L463 PolarHBondContact O-N 2.87Å; F460-L463 PolarHBondContact O-N 3.2Å
464N94.3Very high92.6Very high53 Ų5368.6 Ų68.628%0.28335%0.346SS..SBendtrans-109138.4-176.6-62.7-85000111.7Y443 F460Y443-N464 HydrophobicContact CD1-CB 4.35Å; Y443-N464 WeakPolarHBondContact CE1-O 3.42Å; F460-N464 WeakPolarHBondContact CD2-ND2 3.39Å; F460-N464 VanDerWaalsContact O-CB 3.31Å; F460-N464 WeakPolarHBondContact O-CB 3.4Å; F460-N464 PolarHBondContact O-N 3.48Å; F460-N464 PolarHBondContact O-ND2 3.21Å
465S94.6Very high93.1Very high106 Ų10668.7 Ų68.774%0.74135%0.35SS*.  trans-86.3150.9171.259.90000111Y443 K467Y443-S465 WeakPolarHBondContact CD1-O 3.35Å; S465-K467 PolarHBondContact O-N 3.26Å
466S96Very high93.2Very high38 Ų3870.3 Ų70.327%0.26636%0.359SS..  trans-66.2127.6174.959.70000109.6I442I442-S466 CarbonylContact O-C 3.57Å; I442-S466 WeakPolarHBondContact O-CA 3.3Å
467K96.6Very high93.2Very high102 Ų10270.5 Ų70.544%0.44336%0.359SS..SBendtrans-69.8-38.4174.3-169.970.5169.3-141.20111.5I442 E444 S465 L485 Y490I442-K467 PolarHBondContact O-N 3.03Å; E444-K467 HydrophobicContact CB-CB 4.39Å; E444-K467 IonicContact OE2-NZ 2.95Å; E444-K467 PolarHBondContact OE2-NZ 2.8Å; S465-K467 PolarHBondContact O-N 3.26Å; K467-L485 HydrophobicContact CG-CD2 3.84Å; K467-Y490 HydrophobicContact CG-CE1 4.22Å
468A96.2Very high93.2Very high14 Ų1468 Ų6812%0.11635%0.347CS..EExtended strand (participates in β ladder)trans-148.9165.7176.200000110.4I442 F483 L485I442-A468 WeakPolarHBondContact CA-O 3.49Å; I442-A468 HydrophobicContact CB-CB 4.17Å; I442-A468 HydrophobicContact CD1-CB 4.27Å; I442-A468 PolarHBondContact N-O 2.78Å; I442-A468 PolarHBondContact O-N 2.93Å; A468-F483 HydrophobicContact CB-CD1 3.65Å; A468-F483 HydrophobicContact CB-CE1 3.74Å; A468-F483 HydrophobicContact CB-CG 4.49Å; A468-L485 HydrophobicContact CB-CD2 4.44Å
469R95.8Very high93.3Very high171 Ų17165 Ų6565%0.64534%0.335SS*.EExtended strand (participates in β ladder)trans-162.3163.2178.257.7-176.5-176.3-1731.8110.5F440 A441 F483F440-R469 WeakPolarHBondContact O-CA 3.46Å; F440-R469 WeakPolarHBondContact O-CB 3.38Å; A441-R469 HydrophobicContact CB-CB 4.36Å; R469-F483 WeakPolarHBondContact O-CE1 3.28Å; R469-F483 WeakPolarHBondContact O-CZ 3.42Å
470S94.3Very high93.3Very high4 Ų460.2 Ų60.23%0.02831%0.31CS..  trans-57.3143.616764.30000109.9F440 S472F440-S470 PolarHBondContact N-OG 2.92Å; F440-S470 PolarHBondContact O-N 3.26Å; S470-S472 PolarHBondContact O-N 2.78Å; S470-S472 PolarHBondContact OG-O 2.72Å
471K88.9Confident93.1Very high135 Ų13561.6 Ų61.659%0.58732%0.316SS*.SBendtrans-54.7-37.6-178.5-82-176.3174.5-165.50112.4E224E224-K471 IonicContact OE2-NZ 3.27Å; E224-K471 PolarHBondContact OE2-NZ 2.82Å
472S89.4Confident92.8Very high78 Ų7865.2 Ų65.255%0.54533%0.33SS..  trans-150.8159.2178.8-65.20000110S470S470-S472 PolarHBondContact O-N 2.78Å; S470-S472 PolarHBondContact OG-O 2.72Å
473Y94.7Very high92.6Very high57 Ų5762.2 Ų62.222%0.22431%0.313CS..  trans-85.3121.8161.9-87.7-111.3000106.9C383 T437 I438 S495 Y497C383-Y473 HydrophobicContact CB-CD1 4.32Å; C383-Y473 HydrophobicContact CB-CE1 3.64Å; C383-Y473 HydrophobicContact CB-CE2 4.21Å; T437-Y473 WeakPolarHBondContact CG2-O 3.13Å; I438-Y473 VanDerWaalsContact C-CD1 3.48Å; I438-Y473 VanDerWaalsContact O-CA 3.31Å; I438-Y473 WeakPolarHBondContact O-CA 3.3Å; Y473-S495 WeakPolarHBondContact CE1-O 3.49Å; Y473-S495 PolarHBondContact OH-OG 2.99Å; Y473-Y497 HydrophobicContact CD1-CD2 4.01Å; Y473-Y497 HydrophobicContact CD1-CG 4.45Å; Y473-Y497 AromaticContact CG-CD2 3.87Å; Y473-Y497 HydrophobicContact CG-CD2 3.87Å
474I91.8Very high92.3Very high66 Ų6660 Ų6034%0.33830%0.295SS..BIsolated β-bridgetrans-138.5148.1-173.4-166.4171.9000110.7I438 L476 V479I438-I474 PolarHBondContact N-O 3.38Å; I438-I474 PolarHBondContact O-N 3.04Å; I438-I474 VanDerWaalsContact O-N 3.11Å; I474-L476 HydrophobicContact CD1-CD1 3.95Å; I474-L476 HydrophobicContact CD1-CG 3.97Å; I474-L476 HydrophobicContact CG1-CD1 4.42Å; I474-L476 HydrophobicContact CG1-CG 3.99Å; I474-L476 HydrophobicContact CG2-CB 4.24Å; I474-L476 HydrophobicContact CG2-CD1 3.95Å; I474-L476 HydrophobicContact CG2-CG 3.91Å; I474-L476 PolarHBondContact O-N 3.45Å; I474-V479 HydrophobicContact CG2-CG2 3.46Å; I474-V479 VanDerWaalsContact CG2-CG2 3.46Å
475N90.5Very high92.3Very high96 Ų9658.3 Ų58.351%0.51329%0.285SS..  trans-83.853.7-179.462.9-26.9000112.6L435 F436L435-N475 HydrophobicContact CB-CB 4.46Å; L435-N475 WeakPolarHBondContact CD1-O 3.46Å; F436-N475 WeakPolarHBondContact O-CA 3.33Å
476L89.1Confident92.2Very high42 Ų4255.6 Ų55.622%0.2227%0.267CS..SBendtrans-102.7159.2173.6-65-178.7000111.1Q422 I474 E478Q422-L476 PolarHBondContact NE2-O 3.27Å; I474-L476 HydrophobicContact CD1-CD1 3.95Å; I474-L476 HydrophobicContact CD1-CG 3.97Å; I474-L476 HydrophobicContact CG1-CD1 4.42Å; I474-L476 HydrophobicContact CG1-CG 3.99Å; I474-L476 HydrophobicContact CG2-CB 4.24Å; I474-L476 HydrophobicContact CG2-CD1 3.95Å; I474-L476 HydrophobicContact CG2-CG 3.91Å; I474-L476 PolarHBondContact O-N 3.45Å; L476-E478 WeakPolarHBondContact CB-O 3.47Å; L476-E478 PolarHBondContact O-N 3.24Å
477R91.1Very high92Very high12 Ų1256.4 Ų56.45%0.04527%0.271CS..SBendtrans-58-40.4173.2-171.1-176.481.5161.810111E207 E210 D211 M421 Q422 L435E207-R477 VanDerWaalsContact CA-NH2 3.32Å; E207-R477 HydrophobicContact CG-CB 4.16Å; E207-R477 PolarHBondContact O-NH1 3.26Å; E207-R477 PolarHBondContact O-NH2 3.21Å; E210-R477 IonicContact OE2-CZ 2.73Å; E210-R477 IonicContact OE2-NE 2.73Å; E210-R477 IonicContact OE2-NH2 3.11Å; E210-R477 PolarHBondContact OE2-NH2 3.16Å; D211-R477 IonicContact OD1-CZ 3.91Å; D211-R477 IonicContact OD1-NH1 3.51Å; D211-R477 PolarHBondContact OD1-NH1 2.98Å; D211-R477 IonicContact OD1-NH2 2.94Å; D211-R477 PolarHBondContact OD1-NH2 3.08Å; D211-R477 VanDerWaalsContact OD1-NH2 3.08Å; D211-R477 IonicContact OD2-NH1 2.73Å; D211-R477 PolarHBondContact OD2-NH1 2.99Å; M421-R477 CarbonylContact C-O 3.51Å; M421-R477 VanDerWaalsContact CA-O 3.29Å; M421-R477 WeakPolarHBondContact CA-O 3.29Å; M421-R477 HydrophobicContact CG-CG 4.23Å; M421-R477 WeakPolarHBondContact CG-O 3.5Å; Q422-R477 PolarHBondContact N-O 2.81Å; L435-R477 HydrophobicContact CD2-CB 4.41Å
478E91.7Very high91.8Very high16 Ų1652.6 Ų52.68%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-133.5142.6177.4175.2169.2-89.800110.9T217 S419 L420 M421 L476 T480 R508T217-E478 PolarHBondContact OG1-OE2 3.31Å; S419-E478 WeakPolarHBondContact CB-OE1 3.38Å; S419-E478 VanDerWaalsContact OG-CD 3.25Å; S419-E478 PolarHBondContact OG-OE1 3.42Å; L420-E478 CarbonylContact O-C 3.53Å; L420-E478 VanDerWaalsContact O-CA 3.3Å; L420-E478 WeakPolarHBondContact O-CA 3.43Å; M421-E478 HydrophobicContact CB-CB 3.94Å; M421-E478 HydrophobicContact CB-CG 4.16Å; M421-E478 HydrophobicContact CE-CB 4.22Å; M421-E478 VanDerWaalsContact CE-OE1 3.27Å; M421-E478 WeakPolarHBondContact CE-OE1 3.21Å; M421-E478 HydrophobicContact CG-CB 4.24Å; L476-E478 WeakPolarHBondContact CB-O 3.47Å; L476-E478 PolarHBondContact O-N 3.24Å; E478-T480 VanDerWaalsContact CG-OG1 3.25Å; E478-T480 WeakPolarHBondContact CG-OG1 3.33Å; E478-T480 PolarHBondContact OE2-OG1 2.96Å; E478-R508 IonicContact OE1-CZ 3.93Å; E478-R508 IonicContact OE1-NE 3.34Å; E478-R508 IonicContact OE1-NH2 3.55Å; E478-R508 PolarHBondContact OE1-NH2 3.27Å; E478-R508 IonicContact OE2-NH2 2.75Å
479V92.8Very high91.6Very high9 Ų953 Ų536%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-116119.1167.6177.40000108.7L420 I438 F440 I474L420-V479 PolarHBondContact N-O 2.97Å; L420-V479 PolarHBondContact O-N 2.82Å; I438-V479 HydrophobicContact CD1-CG2 4.26Å; I438-V479 HydrophobicContact CG1-CG2 3.71Å; F440-V479 HydrophobicContact CE1-CG1 4.29Å; I474-V479 HydrophobicContact CG2-CG2 3.46Å; I474-V479 VanDerWaalsContact CG2-CG2 3.46Å
480T92.6Very high91.6Very high9 Ų944.9 Ų44.96%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-125.4139.1-177.5-58.50000111.5V216 T217 V417 V418 S419 E478V216-T480 HydrophobicContact CG2-CG2 4.2Å; T217-T480 WeakPolarHBondContact O-CB 3.46Å; T217-T480 WeakPolarHBondContact O-CG2 3.16Å; V417-T480 HydrophobicContact CG1-CG2 3.22Å; V418-T480 VanDerWaalsContact O-CA 3.29Å; V418-T480 WeakPolarHBondContact O-CA 3.37Å; S419-T480 WeakPolarHBondContact CB-OG1 3.29Å; E478-T480 VanDerWaalsContact CG-OG1 3.25Å; E478-T480 WeakPolarHBondContact CG-OG1 3.33Å; E478-T480 PolarHBondContact OE2-OG1 2.96Å
481Q90.9Very high91.7Very high46 Ų4644.7 Ų44.722%0.21523%0.228CC..EExtended strand (participates in β ladder)trans-147.8135.2179-176.261.749.900110.9V417 V418 F440 F483V417-Q481 WeakPolarHBondContact CA-O 3.18Å; V418-Q481 PolarHBondContact N-O 3.49Å; V418-Q481 PolarHBondContact O-N 3.37Å; F440-Q481 HydrophobicContact CZ-CB 4.05Å; Q481-F483 HydrophobicContact CB-CE1 4.38Å; Q481-F483 HydrophobicContact CB-CE2 3.66Å; Q481-F483 HydrophobicContact CB-CZ 3.55Å; Q481-F483 HydrophobicContact CG-CD1 4.31Å; Q481-F483 HydrophobicContact CG-CD2 4.44Å; Q481-F483 HydrophobicContact CG-CE1 3.56Å; Q481-F483 HydrophobicContact CG-CE2 3.71Å; Q481-F483 HydrophobicContact CG-CZ 3.22Å; Q481-F483 WeakPolarHBondContact O-CD2 3.26Å; Q481-F483 VanDerWaalsContact O-CE2 3.24Å; Q481-F483 WeakPolarHBondContact O-CE2 3.3Å
482R88.9Confident92.1Very high82 Ų8238.3 Ų38.331%0.30920%0.2SC..EExtended strand (participates in β ladder)trans-84.8139.2171-176.5179.3-68.4-105.20110.7E218 T415 F416 V417E218-R482 IonicContact OE1-CZ 3.8Å; E218-R482 IonicContact OE1-NE 3.89Å; E218-R482 PolarHBondContact OE1-NE 3.14Å; E218-R482 IonicContact OE1-NH2 2.65Å; E218-R482 PolarHBondContact OE1-NH2 2.84Å; E218-R482 IonicContact OE2-CZ 2.75Å; E218-R482 IonicContact OE2-NE 2.62Å; E218-R482 IonicContact OE2-NH2 3.12Å; E218-R482 PolarHBondContact OE2-NH2 2.83Å; T415-R482 HydrophobicContact CG2-CG 4.26Å; F416-R482 WeakPolarHBondContact O-CA 3.27Å; V417-R482 HydrophobicContact CG2-CB 4.07Å; V417-R482 HydrophobicContact CG2-CG 4.13Å
483F90.1Very high92.5Very high22 Ų2234.6 Ų34.610%0.09617%0.174CC..EExtended strand (participates in β ladder)trans-132.3155.2178.2-58.4-76.8000111.2T415 F416 V418 F440 I442 A468 R469 Q481T415-F483 WeakPolarHBondContact CA-O 3.38Å; F416-F483 HydrophobicContact CD1-CB 4.29Å; F416-F483 HydrophobicContact CD2-CB 4.48Å; F416-F483 HydrophobicContact CD2-CD2 4.36Å; F416-F483 HydrophobicContact CE1-CB 3.72Å; F416-F483 HydrophobicContact CE2-CB 3.96Å; F416-F483 AromaticContact CE2-CD2 3.79Å; F416-F483 HydrophobicContact CE2-CD2 3.79Å; F416-F483 HydrophobicContact CE2-CG 4.22Å; F416-F483 HydrophobicContact CZ-CB 3.54Å; F416-F483 HydrophobicContact CZ-CD2 4.14Å; F416-F483 HydrophobicContact CZ-CG 4.1Å; F416-F483 PolarHBondContact N-O 2.98Å; F416-F483 PolarHBondContact O-N 3.08Å; V418-F483 HydrophobicContact CB-CE2 4.15Å; V418-F483 HydrophobicContact CG2-CD2 4.11Å; V418-F483 HydrophobicContact CG2-CE2 4.08Å; F440-F483 AromaticContact CE2-CE2 3.52Å; F440-F483 HydrophobicContact CE2-CE2 3.52Å; F440-F483 AromaticContact CE2-CZ 3.61Å; F440-F483 HydrophobicContact CE2-CZ 3.61Å; F440-F483 AromaticContact CZ-CE2 3.84Å; F440-F483 HydrophobicContact CZ-CE2 3.84Å; F440-F483 HydrophobicContact CZ-CZ 4.05Å; I442-F483 HydrophobicContact CD1-CD2 3.95Å; I442-F483 HydrophobicContact CD1-CE2 3.87Å; I442-F483 HydrophobicContact CD1-CG 4.33Å; I442-F483 HydrophobicContact CD1-CZ 4.17Å; A468-F483 HydrophobicContact CB-CD1 3.65Å; A468-F483 HydrophobicContact CB-CE1 3.74Å; A468-F483 HydrophobicContact CB-CG 4.49Å; R469-F483 WeakPolarHBondContact O-CE1 3.28Å; R469-F483 WeakPolarHBondContact O-CZ 3.42Å; Q481-F483 HydrophobicContact CB-CE1 4.38Å; Q481-F483 HydrophobicContact CB-CE2 3.66Å; Q481-F483 HydrophobicContact CB-CZ 3.55Å; Q481-F483 HydrophobicContact CG-CD1 4.31Å; Q481-F483 HydrophobicContact CG-CD2 4.44Å; Q481-F483 HydrophobicContact CG-CE1 3.56Å; Q481-F483 HydrophobicContact CG-CE2 3.71Å; Q481-F483 HydrophobicContact CG-CZ 3.22Å; Q481-F483 WeakPolarHBondContact O-CD2 3.26Å; Q481-F483 VanDerWaalsContact O-CE2 3.24Å; Q481-F483 WeakPolarHBondContact O-CE2 3.3Å
484R89.3Confident92.7Very high103 Ų10331.9 Ų31.939%0.38916%0.164SC..EExtended strand (participates in β ladder)trans-129.2116.1167.5-56-176.474.6-172.310.4106.6D409 V413 C414D409-R484 IonicContact OD2-CZ 3.83Å; D409-R484 IonicContact OD2-NH1 3.84Å; D409-R484 PolarHBondContact OD2-NH1 2.88Å; D409-R484 IonicContact OD2-NH2 3.28Å; D409-R484 PolarHBondContact OD2-NH2 3.44Å; V413-R484 HydrophobicContact CB-CB 4.34Å; V413-R484 HydrophobicContact CG2-CB 4.36Å; C414-R484 WeakPolarHBondContact O-CA 3.26Å
485L93Very high93Very high16 Ų1628.7 Ų28.78%0.08415%0.147CC..EExtended strand (participates in β ladder)trans-132154.9179.4-64.6179.4000109.4L400 C414 F416 I442 K467 A468 Y490L400-L485 HydrophobicContact CD1-CB 3.85Å; C414-L485 PolarHBondContact N-O 3.24Å; C414-L485 PolarHBondContact O-N 3.29Å; F416-L485 HydrophobicContact CE1-CB 4.1Å; F416-L485 HydrophobicContact CE1-CD1 3.9Å; F416-L485 HydrophobicContact CE1-CG 3.95Å; F416-L485 HydrophobicContact CZ-CD1 3.69Å; F416-L485 HydrophobicContact CZ-CG 4.17Å; I442-L485 HydrophobicContact CG2-CD1 4.28Å; K467-L485 HydrophobicContact CG-CD2 3.84Å; A468-L485 HydrophobicContact CB-CD2 4.44Å; L485-Y490 HydrophobicContact CB-CE1 4.45Å; L485-Y490 HydrophobicContact CB-CE2 4.41Å; L485-Y490 HydrophobicContact CD1-CD1 3.98Å; L485-Y490 HydrophobicContact CD1-CE1 3.76Å; L485-Y490 HydrophobicContact CD1-CE2 4.46Å; L485-Y490 HydrophobicContact CD1-CG 4.44Å
486S92.2Very high93.3Very high50 Ų5024.1 Ų24.135%0.3512%0.123SC..  trans-64.6153.5174.3510000111.4G488 Y490S486-G488 PolarHBondContact O-N 2.89Å; S486-Y490 WeakPolarHBondContact O-CE2 3.39Å; S486-Y490 PolarHBondContact O-OH 3.12Å; S486-Y490 PolarHBondContact OG-OH 2.74Å
487P91.8Very high93.7Very high55 Ų5526.1 Ų26.136%0.35713%0.128SC..SBendtrans-51.3138.4170.9-25.933.5000112L400 V412L400-P487 WeakPolarHBondContact O-CA 3.26Å; V412-P487 HydrophobicContact CG1-CG 4.06Å
488G92.1Very high94Very high22 Ų2229.2 Ų29.223%0.22714%0.143CC..EExtended strand (participates in β ladder)trans158-176.3-174.200000114.1L400 S486L400-G488 PolarHBondContact N-O 2.75Å; L400-G488 PolarHBondContact O-N 2.74Å; S486-G488 PolarHBondContact O-N 2.89Å
489E93.9Very high94.1Very high23 Ų2329.4 Ų29.411%0.10715%0.146CC..EExtended strand (participates in β ladder)trans-105134.7175.5-58.1-158.515500111.2R397 L398 R399 V445 H450 G451R397-E489 IonicContact CZ-OE2 3.49Å; R397-E489 VanDerWaalsContact CZ-OE2 3.26Å; R397-E489 IonicContact NE-OE2 2.73Å; R397-E489 PolarHBondContact NE-OE2 3.28Å; R397-E489 VanDerWaalsContact NE-OE2 3.1Å; R397-E489 IonicContact NH2-OE2 3.53Å; R397-E489 PolarHBondContact NH2-OE2 2.8Å; L398-E489 WeakPolarHBondContact O-CA 3.31Å; R399-E489 HydrophobicContact CG-CG 4.13Å; R399-E489 IonicContact CZ-OE1 3.41Å; R399-E489 IonicContact NE-OE1 3.45Å; R399-E489 PolarHBondContact NE-OE1 3.26Å; R399-E489 IonicContact NH2-OE1 2.73Å; R399-E489 PolarHBondContact NH2-OE1 2.63Å; V445-E489 HydrophobicContact CB-CB 4.32Å; V445-E489 WeakPolarHBondContact CB-O 3.26Å; V445-E489 PolarHBondContact N-O 2.59Å; H450-E489 WeakPolarHBondContact CA-OE2 3.32Å; H450-E489 IonicContact CD2-OE2 2.84Å; H450-E489 IonicContact CG-OE2 3.54Å; G451-E489 PolarHBondContact N-OE2 3.46Å; G451-E489 VanDerWaalsContact N-OE2 3.1Å
490Y95.1Very high94Very high0 Ų033.1 Ų33.10%016%0.162CC..EExtended strand (participates in β ladder)trans-132.5161.7-177.3-58.8-90.7000110.7R397 L398 L400 I442 Y443 E444 K467 L485 S486R397-Y490 CarbonylContact C-O 3.53Å; R397-Y490 WeakPolarHBondContact CA-O 3.39Å; R397-Y490 WeakPolarHBondContact CD-O 3.36Å; L398-Y490 PolarHBondContact N-O 3.08Å; L398-Y490 PolarHBondContact O-N 3.12Å; L400-Y490 HydrophobicContact CB-CE2 4.39Å; L400-Y490 HydrophobicContact CD1-CD2 3.91Å; L400-Y490 HydrophobicContact CD1-CE2 3.56Å; L400-Y490 HydrophobicContact CG-CD2 4.11Å; L400-Y490 HydrophobicContact CG-CE2 4.05Å; I442-Y490 HydrophobicContact CG2-CD1 4.13Å; I442-Y490 HydrophobicContact CG2-CG 4.27Å; Y443-Y490 CarbonylContact O-C 3.28Å; Y443-Y490 WeakPolarHBondContact O-CA 3.31Å; Y443-Y490 WeakPolarHBondContact O-CB 3.45Å; E444-Y490 HydrophobicContact CB-CD1 4.01Å; E444-Y490 HydrophobicContact CB-CE1 3.87Å; E444-Y490 HydrophobicContact CG-CD1 4.36Å; E444-Y490 HydrophobicContact CG-CE1 3.93Å; K467-Y490 HydrophobicContact CG-CE1 4.22Å; L485-Y490 HydrophobicContact CB-CE1 4.45Å; L485-Y490 HydrophobicContact CB-CE2 4.41Å; L485-Y490 HydrophobicContact CD1-CD1 3.98Å; L485-Y490 HydrophobicContact CD1-CE1 3.76Å; L485-Y490 HydrophobicContact CD1-CE2 4.46Å; L485-Y490 HydrophobicContact CD1-CG 4.44Å; S486-Y490 WeakPolarHBondContact O-CE2 3.39Å; S486-Y490 PolarHBondContact O-OH 3.12Å; S486-Y490 PolarHBondContact OG-OH 2.74Å
491V95.9Very high94Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-120.8125.3169.8-179.10000109.6Q395 Y396 I442 Y443 V445 M456 V493 I520Q395-V491 HydrophobicContact CB-CG1 3.81Å; Q395-V491 HydrophobicContact CG-CG1 4.36Å; Y396-V491 CarbonylContact O-C 3.47Å; Y396-V491 WeakPolarHBondContact O-CA 3.42Å; I442-V491 CarbonylContact C-O 3.5Å; I442-V491 VanDerWaalsContact CA-O 3.3Å; I442-V491 WeakPolarHBondContact CA-O 3.45Å; Y443-V491 PolarHBondContact N-O 2.8Å; Y443-V491 PolarHBondContact O-N 2.91Å; V445-V491 HydrophobicContact CG2-CG2 3.56Å; M456-V491 HydrophobicContact CE-CG2 4.37Å; M456-V491 HydrophobicContact CG-CG2 4.34Å; V491-V493 HydrophobicContact CG1-CG2 4.04Å; V491-I520 HydrophobicContact CB-CD1 4.32Å; V491-I520 HydrophobicContact CG1-CD1 3.79Å; V491-I520 HydrophobicContact CG2-CD1 3.61Å
492I97.4Very high94Very high0 Ų037.8 Ų37.80%018%0.183CC..EExtended strand (participates in β ladder)trans-94.1126.4171.1-49.2175000108.1Y396 L398 V418 F440 A441 I442 P494 L507 V509Y396-I492 PolarHBondContact N-O 3.47Å; Y396-I492 PolarHBondContact O-N 3.26Å; L398-I492 HydrophobicContact CB-CD1 4.2Å; L398-I492 HydrophobicContact CB-CG1 4.27Å; L398-I492 HydrophobicContact CD2-CD1 4.23Å; V418-I492 HydrophobicContact CG1-CD1 4.4Å; V418-I492 HydrophobicContact CG1-CG2 4.34Å; V418-I492 HydrophobicContact CG2-CD1 4.08Å; F440-I492 HydrophobicContact CB-CG2 4.3Å; F440-I492 HydrophobicContact CD2-CG2 4.29Å; A441-I492 CarbonylContact O-C 3.55Å; A441-I492 WeakPolarHBondContact O-CA 3.39Å; I442-I492 HydrophobicContact CG1-CG1 4.31Å; I492-P494 WeakPolarHBondContact O-CD 3.38Å; I492-L507 HydrophobicContact CB-CD2 4.36Å; I492-L507 HydrophobicContact CD1-CD2 4.45Å; I492-L507 HydrophobicContact CG2-CD1 4.31Å; I492-L507 HydrophobicContact CG2-CD2 4.08Å; I492-V509 HydrophobicContact CD1-CG2 3.73Å
493V97.9Very high94Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-116.395.9176.4-172.50000109F390 N393 Q395 F440 A441 Y443 F461 V491F390-V493 HydrophobicContact CE1-CG1 4.23Å; F390-V493 HydrophobicContact CE2-CB 4.42Å; F390-V493 HydrophobicContact CE2-CG1 3.82Å; F390-V493 HydrophobicContact CZ-CB 3.85Å; F390-V493 HydrophobicContact CZ-CG1 3.61Å; F390-V493 HydrophobicContact CZ-CG2 4.34Å; N393-V493 HydrophobicContact CB-CG1 3.74Å; Q395-V493 HydrophobicContact CG-CG2 4.36Å; F440-V493 VanDerWaalsContact CA-O 3.28Å; F440-V493 WeakPolarHBondContact CA-O 3.47Å; A441-V493 PolarHBondContact N-O 2.78Å; A441-V493 VanDerWaalsContact N-O 3.11Å; A441-V493 PolarHBondContact O-N 2.81Å; Y443-V493 HydrophobicContact CD2-CG2 4.48Å; F461-V493 HydrophobicContact CE1-CG2 3.75Å; F461-V493 HydrophobicContact CZ-CG2 3.91Å; V491-V493 HydrophobicContact CG1-CG2 4.04Å
494P97.9Very high94.1Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-76.4134.4170.730.5-34.8000111.7W374 P394 Y396 L420 F440 I492 F505W374-P494 PolarHBondContact NE1-O 3.39Å; P394-P494 WeakPolarHBondContact O-CD 3.12Å; Y396-P494 HydrophobicContact CD2-CG 3.92Å; Y396-P494 HydrophobicContact CE2-CG 3.6Å; L420-P494 HydrophobicContact CD1-CB 3.56Å; L420-P494 HydrophobicContact CD2-CB 3.66Å; L420-P494 HydrophobicContact CG-CB 4.22Å; F440-P494 HydrophobicContact CB-CB 4.45Å; I492-P494 WeakPolarHBondContact O-CD 3.38Å; P494-F505 HydrophobicContact CB-CE2 4.19Å; P494-F505 HydrophobicContact CB-CZ 4.35Å; P494-F505 HydrophobicContact CG-CE2 3.66Å; P494-F505 HydrophobicContact CG-CZ 3.67Å
495S98.1Very high94.3Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-149.1159.4178.666.70000112.6G382 N393 G439 Y473G382-S495 WeakPolarHBondContact O-CB 3.1Å; G382-S495 PolarHBondContact O-OG 2.9Å; N393-S495 WeakPolarHBondContact OD1-CB 3.45Å; G439-S495 PolarHBondContact N-O 2.76Å; G439-S495 PolarHBondContact O-N 2.91Å; Y473-S495 WeakPolarHBondContact CE1-O 3.49Å; Y473-S495 PolarHBondContact OH-OG 2.99Å
496T97.8Very high94.3Very high0 Ų032.7 Ų32.70%017%0.171CC..EExtended strand (participates in β ladder)trans-72.8161.4157.851.40000110.2W374 G382 C383 F436 T437 I438 E498 Q501W374-T496 HydrophobicContact CD2-CG2 3.93Å; W374-T496 HydrophobicContact CE3-CG2 3.72Å; W374-T496 HydrophobicContact CH2-CG2 4.34Å; W374-T496 HydrophobicContact CZ3-CG2 3.94Å; G382-T496 CarbonylContact C-O 3.6Å; G382-T496 VanDerWaalsContact C-O 3.22Å; G382-T496 WeakPolarHBondContact CA-O 3.18Å; C383-T496 PolarHBondContact N-O 2.85Å; F436-T496 HydrophobicContact CB-CG2 4.11Å; F436-T496 HydrophobicContact CD2-CG2 3.88Å; F436-T496 HydrophobicContact CE2-CG2 4.44Å; F436-T496 HydrophobicContact CG-CG2 4.16Å; T437-T496 CarbonylContact O-C 3.22Å; I438-T496 HydrophobicContact CG2-CG2 4.19Å; T496-E498 PolarHBondContact OG1-O 3.17Å; T496-Q501 HydrophobicContact CG2-CB 3.85Å
497Y97.2Very high94.3Very high84 Ų8430.3 Ų30.333%0.32916%0.155SC..SBendtrans-65.1-53.8176.7-173.6-93000110.8C383 N385 Y386 T437 Y473C383-Y497 PolarHBondContact N-O 3.25Å; C383-Y497 PolarHBondContact SG-O 3.1Å; N385-Y497 PolarHBondContact ND2-OH 2.75Å; Y386-Y497 WeakPolarHBondContact CE2-O 3.44Å; T437-Y497 PolarHBondContact O-N 3.43Å; Y473-Y497 HydrophobicContact CD1-CD2 4.01Å; Y473-Y497 HydrophobicContact CD1-CG 4.45Å; Y473-Y497 AromaticContact CG-CD2 3.87Å; Y473-Y497 HydrophobicContact CG-CD2 3.87Å
498E97Very high94.4Very high76 Ų7627.8 Ų27.836%0.35514%0.138SC..SBendtrans-88.3146.6177.4-61.8-60.4159.900110.9Y386 T496 Q501Y386-E498 PolarHBondContact OH-OE1 3.07Å; Y386-E498 PolarHBondContact OH-OE2 3.22Å; T496-E498 PolarHBondContact OG1-O 3.17Å; E498-Q501 HydrophobicContact CB-CG 4.26Å
499P94.7Very high94.3Very high21 Ų2126.8 Ų26.814%0.13613%0.128CC..THydrogen-bonded Turntrans-67.4169.1170.730.8-35000111.5Y386 Q501Y386-P499 HydrophobicContact CD1-CG 4.21Å; Y386-P499 HydrophobicContact CE1-CG 4.43Å; Y386-P499 HydrophobicContact CG-CG 4.28Å; P499-Q501 PolarHBondContact O-N 2.8Å
500H91.3Very high94Very high86 Ų8625.8 Ų25.840%0.39812%0.123SC..THydrogen-bonded Turntrans64.58174.3-43.8-53.3000115.8R376 A380 Y637R376-H500 HydrophobicContact CG-CB 3.86Å; A380-H500 PolarHBondContact O-N 3.26Å; H500-Y637 AromaticContact CE1-CE2 3.49Å; H500-Y637 VanDerWaalsContact CE1-CE2 3.49Å; H500-Y637 WeakPolarHBondContact CE1-CE2 3.44Å; H500-Y637 AromaticContact CE1-CZ 3.79Å; H500-Y637 PolarHBondContact CE1-OH 2.86Å; H500-Y637 AromaticContact ND1-CE2 3.72Å; H500-Y637 AromaticContact ND1-CZ 3.66Å; H500-Y637 PolarHBondContact ND1-OH 2.99Å
501Q92.4Very high93.5Very high51 Ų5125.9 Ų25.924%0.23812%0.124CC..  trans-81.7117.5174.6-69.9-166.3-35.300110.6W374 F436 T496 E498 P499W374-Q501 VanDerWaalsContact CB-O 3.26Å; W374-Q501 WeakPolarHBondContact CB-O 3.36Å; F436-Q501 HydrophobicContact CD1-CB 4.25Å; F436-Q501 HydrophobicContact CD1-CG 4.31Å; F436-Q501 HydrophobicContact CD2-CB 4.49Å; F436-Q501 HydrophobicContact CE1-CB 3.85Å; F436-Q501 HydrophobicContact CE1-CG 4.01Å; F436-Q501 HydrophobicContact CE2-CB 4.06Å; F436-Q501 HydrophobicContact CZ-CB 3.71Å; F436-Q501 HydrophobicContact CZ-CG 4.37Å; T496-Q501 HydrophobicContact CG2-CB 3.85Å; E498-Q501 HydrophobicContact CB-CG 4.26Å; P499-Q501 PolarHBondContact O-N 2.8Å
502E90.2Very high92.5Very high102 Ų10228.8 Ų28.848%0.47714%0.137SC..  trans-91.9129.2-176.7-60.4-172.6128.800112.6W374 R376 R425 F436W374-E502 VanDerWaalsContact O-CA 3.26Å; W374-E502 WeakPolarHBondContact O-CA 3.47Å; R376-E502 HydrophobicContact CB-CG 3.65Å; R376-E502 WeakPolarHBondContact CB-OE1 3.33Å; R376-E502 PolarHBondContact N-OE1 2.79Å; R376-E502 VanDerWaalsContact N-OE1 3.15Å; R425-E502 PolarHBondContact NH1-O 3.2Å; F436-E502 WeakPolarHBondContact CE2-O 3.4Å; F436-E502 WeakPolarHBondContact CZ-O 3.32Å
503G89.6Confident91.6Very high14 Ų1430.8 Ų30.814%0.14415%0.146CC..EExtended strand (participates in β ladder)trans-176.5158.5176.900000113.2R373 W374R373-G503 CarbonylContact C-O 3.59Å; R373-G503 WeakPolarHBondContact CA-O 3.45Å; W374-G503 PolarHBondContact N-O 2.99Å; W374-G503 PolarHBondContact O-N 3.39Å; W374-G503 VanDerWaalsContact O-N 3.13Å
504E91.1Very high90.6Very high102 Ų10239.4 Ų39.448%0.47718%0.178SC..EExtended strand (participates in β ladder)trans-93.7149.1173.3-62176.6161.800110.3G372 R373 K423G372-E504 WeakPolarHBondContact O-CA 3.34Å; R373-E504 HydrophobicContact CB-CG 4.48Å; K423-E504 HydrophobicContact CB-CB 4.1Å; K423-E504 HydrophobicContact CD-CB 4.02Å; K423-E504 HydrophobicContact CG-CB 4.17Å; K423-E504 PolarHBondContact N-O 3.08Å
505F93.2Very high89.5Confident0 Ų039.7 Ų39.70%018%0.18CC..EExtended strand (participates in β ladder)trans-139.9166.5176.267.4-94.4000112.2G372 R373 W374 P394 Y396 L420 M421 P494 L507G372-F505 VanDerWaalsContact C-CE1 3.44Å; G372-F505 PolarHBondContact N-O 3.17Å; G372-F505 PolarHBondContact O-N 2.84Å; R373-F505 VanDerWaalsContact N-CE1 3.35Å; W374-F505 AromaticContact CD2-CD1 3.74Å; W374-F505 HydrophobicContact CD2-CD1 3.74Å; W374-F505 HydrophobicContact CD2-CE1 4.06Å; W374-F505 AromaticContact CE2-CD1 3.48Å; W374-F505 VanDerWaalsContact CE2-CD1 3.48Å; W374-F505 AromaticContact CE2-CE1 3.63Å; W374-F505 AromaticContact CE3-CD1 3.95Å; W374-F505 HydrophobicContact CE3-CD1 3.95Å; W374-F505 HydrophobicContact CG-CD1 4.44Å; W374-F505 HydrophobicContact CG-CE1 4.37Å; W374-F505 HydrophobicContact CH2-CB 3.77Å; W374-F505 AromaticContact CH2-CD1 3.74Å; W374-F505 HydrophobicContact CH2-CD1 3.74Å; W374-F505 AromaticContact CH2-CG 3.96Å; W374-F505 HydrophobicContact CH2-CG 3.96Å; W374-F505 HydrophobicContact CZ2-CB 4.3Å; W374-F505 AromaticContact CZ2-CD1 3.5Å; W374-F505 HydrophobicContact CZ2-CD1 3.5Å; W374-F505 AromaticContact CZ2-CE1 3.96Å; W374-F505 HydrophobicContact CZ2-CE1 3.96Å; W374-F505 AromaticContact CZ2-CG 3.96Å; W374-F505 HydrophobicContact CZ2-CG 3.96Å; W374-F505 HydrophobicContact CZ3-CB 4.02Å; W374-F505 AromaticContact CZ3-CD1 3.95Å; W374-F505 HydrophobicContact CZ3-CD1 3.95Å; W374-F505 HydrophobicContact CZ3-CG 4.38Å; W374-F505 AromaticContact NE1-CE1 3.65Å; P394-F505 HydrophobicContact CB-CZ 4.02Å; P394-F505 HydrophobicContact CG-CE1 4.05Å; P394-F505 HydrophobicContact CG-CZ 3.93Å; Y396-F505 AromaticContact CE2-CE2 3.87Å; Y396-F505 HydrophobicContact CE2-CE2 3.87Å; Y396-F505 AromaticContact CE2-CZ 4Å; Y396-F505 HydrophobicContact CE2-CZ 4Å; Y396-F505 WeakPolarHBondContact OH-CE2 3.37Å; Y396-F505 WeakPolarHBondContact OH-CZ 3.37Å; L420-F505 HydrophobicContact CD1-CB 3.98Å; L420-F505 HydrophobicContact CD1-CD2 3.49Å; L420-F505 VanDerWaalsContact CD1-CD2 3.49Å; L420-F505 HydrophobicContact CD1-CE2 4.18Å; L420-F505 HydrophobicContact CD1-CG 3.88Å; M421-F505 CarbonylContact O-C 3.43Å; M421-F505 WeakPolarHBondContact O-CA 3.5Å; M421-F505 VanDerWaalsContact O-CB 3.3Å; M421-F505 WeakPolarHBondContact O-CB 3.23Å; P494-F505 HydrophobicContact CB-CE2 4.19Å; P494-F505 HydrophobicContact CB-CZ 4.35Å; P494-F505 HydrophobicContact CG-CE2 3.66Å; P494-F505 HydrophobicContact CG-CZ 3.67Å; F505-L507 HydrophobicContact CD2-CB 4.41Å; F505-L507 HydrophobicContact CE2-CB 4.26Å
506I92.6Very high88.5Confident0 Ų041.9 Ų41.90%019%0.193CC..EExtended strand (participates in β ladder)trans-124.4128.4167.4-176.8169.9000107.6W149 Y151 V369 N370 M421 R508W149-I506 HydrophobicContact CH2-CD1 4.47Å; W149-I506 HydrophobicContact CZ2-CD1 4.46Å; Y151-I506 VanDerWaalsContact C-CD1 3.47Å; Y151-I506 VanDerWaalsContact O-CD1 3.26Å; Y151-I506 WeakPolarHBondContact O-CD1 3.34Å; V369-I506 HydrophobicContact CG1-CD1 3.35Å; V369-I506 HydrophobicContact CG1-CG1 3.72Å; N370-I506 CarbonylContact O-C 3.51Å; N370-I506 WeakPolarHBondContact O-CA 3.4Å; M421-I506 HydrophobicContact CB-CG2 3.61Å; M421-I506 HydrophobicContact CG-CG2 4.12Å; M421-I506 PolarHBondContact N-O 2.87Å; M421-I506 PolarHBondContact O-N 3.37Å; M421-I506 HydrophobicContact SD-CG2 4.14Å; I506-R508 HydrophobicContact CD1-CG 4.18Å; I506-R508 HydrophobicContact CG1-CG 3.94Å
507L94Very high87.5Confident0 Ų042.2 Ų42.20%020%0.196CC..EExtended strand (participates in β ladder)trans-107.2119.1173.5-178.772.7000108.3N370 Y396 V418 S419 L420 I492 F505N370-L507 HydrophobicContact CB-CB 4.44Å; N370-L507 PolarHBondContact N-O 3.4Å; N370-L507 PolarHBondContact O-N 2.91Å; Y396-L507 HydrophobicContact CD1-CD2 4.22Å; Y396-L507 HydrophobicContact CD2-CD2 3.31Å; Y396-L507 HydrophobicContact CE2-CD2 3.88Å; Y396-L507 HydrophobicContact CG-CD2 3.49Å; Y396-L507 VanDerWaalsContact CG-CD2 3.49Å; V418-L507 HydrophobicContact CG1-CD1 3.6Å; S419-L507 CarbonylContact O-C 3.39Å; S419-L507 WeakPolarHBondContact O-CA 3.39Å; L420-L507 HydrophobicContact CB-CD1 4.27Å; L420-L507 HydrophobicContact CD1-CD1 4.33Å; I492-L507 HydrophobicContact CB-CD2 4.36Å; I492-L507 HydrophobicContact CD1-CD2 4.45Å; I492-L507 HydrophobicContact CG2-CD1 4.31Å; I492-L507 HydrophobicContact CG2-CD2 4.08Å; F505-L507 HydrophobicContact CD2-CB 4.41Å; F505-L507 HydrophobicContact CE2-CB 4.26Å
508R92.2Very high86.7Confident3 Ų342.5 Ų42.51%0.01120%0.2CC..EExtended strand (participates in β ladder)trans-115.7134.2178.1-57.3-179-71.2167.7-0.4109.9E210 G214 G215 S368 V369 V418 S419 E478 I506 F510E210-R508 IonicContact OE1-CZ 3.12Å; E210-R508 IonicContact OE1-NH2 3.46Å; E210-R508 PolarHBondContact OE1-NH2 3.22Å; G214-R508 PolarHBondContact O-NH1 3.5Å; G215-R508 PolarHBondContact O-NH1 2.83Å; S368-R508 CarbonylContact O-C 3.55Å; S368-R508 VanDerWaalsContact O-CA 3.25Å; S368-R508 WeakPolarHBondContact O-CA 3.25Å; V369-R508 HydrophobicContact CG1-CG 4.32Å; V369-R508 HydrophobicContact CG2-CG 4.21Å; V418-R508 WeakPolarHBondContact CA-O 3.39Å; S419-R508 PolarHBondContact N-O 2.8Å; S419-R508 PolarHBondContact O-N 2.9Å; S419-R508 PolarHBondContact OG-NE 2.83Å; S419-R508 PolarHBondContact OG-NH2 3.47Å; E478-R508 IonicContact OE1-CZ 3.93Å; E478-R508 IonicContact OE1-NE 3.34Å; E478-R508 IonicContact OE1-NH2 3.55Å; E478-R508 PolarHBondContact OE1-NH2 3.27Å; E478-R508 IonicContact OE2-NH2 2.75Å; I506-R508 HydrophobicContact CD1-CG 4.18Å; I506-R508 HydrophobicContact CG1-CG 3.94Å; R508-F510 HydrophobicContact CB-CD2 4.29Å; R508-F510 HydrophobicContact CB-CE2 3.48Å; R508-F510 VanDerWaalsContact CB-CE2 3.48Å; R508-F510 HydrophobicContact CB-CZ 4.02Å; R508-F510 HydrophobicContact CG-CE2 4.49Å
509V91.1Very high85.7Confident1 Ų141.3 Ų41.31%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-119.8117.8172.1-170.90000109.2V367 S368 L398 F416 V417 V418 I492V367-V509 WeakPolarHBondContact CA-O 3.47Å; S368-V509 PolarHBondContact N-O 2.83Å; S368-V509 PolarHBondContact O-N 2.88Å; S368-V509 WeakPolarHBondContact OG-CB 3.48Å; S368-V509 PolarHBondContact OG-O 2.65Å; L398-V509 HydrophobicContact CD1-CG1 4.05Å; F416-V509 HydrophobicContact CB-CG1 4.31Å; F416-V509 HydrophobicContact CD2-CG1 3.94Å; V417-V509 WeakPolarHBondContact O-CA 3.13Å; V418-V509 HydrophobicContact CG2-CG1 4.44Å; V418-V509 HydrophobicContact CG2-CG2 4.37Å; I492-V509 HydrophobicContact CD1-CG2 3.73Å
510F86.8Confident84.6Confident2 Ų240.5 Ų40.51%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-101.9123.7176.2-58.7-99.4000108.1V216 T353 W365 T366 V367 F416 V417 R508V216-F510 HydrophobicContact CB-CD1 3.85Å; V216-F510 HydrophobicContact CB-CD2 3.68Å; V216-F510 HydrophobicContact CB-CE1 3.73Å; V216-F510 HydrophobicContact CB-CE2 3.51Å; V216-F510 HydrophobicContact CB-CG 3.86Å; V216-F510 HydrophobicContact CB-CZ 3.56Å; V216-F510 HydrophobicContact CG1-CD1 3.97Å; V216-F510 HydrophobicContact CG1-CD2 4.37Å; V216-F510 HydrophobicContact CG1-CE1 4.23Å; V216-F510 HydrophobicContact CG1-CG 4.09Å; V216-F510 HydrophobicContact CG2-CD1 4.45Å; V216-F510 HydrophobicContact CG2-CD2 3.41Å; V216-F510 VanDerWaalsContact CG2-CD2 3.41Å; V216-F510 HydrophobicContact CG2-CE2 3.48Å; V216-F510 VanDerWaalsContact CG2-CE2 3.48Å; V216-F510 HydrophobicContact CG2-CG 3.95Å; V216-F510 HydrophobicContact CG2-CZ 4.09Å; T353-F510 HydrophobicContact CG2-CE1 3.93Å; W365-F510 HydrophobicContact CB-CD1 4.48Å; W365-F510 HydrophobicContact CD2-CB 4.26Å; W365-F510 HydrophobicContact CE3-CB 3.76Å; W365-F510 HydrophobicContact CZ3-CB 4.32Å; T366-F510 CarbonylContact O-C 3.45Å; T366-F510 WeakPolarHBondContact O-CA 3.44Å; V367-F510 HydrophobicContact CB-CD1 4.27Å; V367-F510 HydrophobicContact CB-CE1 4.22Å; V367-F510 HydrophobicContact CG1-CD1 3.94Å; V367-F510 HydrophobicContact CG1-CE1 3.56Å; V367-F510 HydrophobicContact CG1-CZ 3.88Å; V367-F510 HydrophobicContact CG2-CD1 3.46Å; V367-F510 VanDerWaalsContact CG2-CD1 3.46Å; V367-F510 HydrophobicContact CG2-CE1 3.57Å; V367-F510 HydrophobicContact CG2-CG 4.44Å; F416-F510 CarbonylContact C-O 3.36Å; F416-F510 WeakPolarHBondContact CA-O 3.39Å; F416-F510 VanDerWaalsContact CB-O 3.27Å; F416-F510 WeakPolarHBondContact CB-O 3.46Å; V417-F510 HydrophobicContact CB-CB 4.25Å; V417-F510 PolarHBondContact N-O 3.05Å; V417-F510 PolarHBondContact O-N 3.02Å; R508-F510 HydrophobicContact CB-CD2 4.29Å; R508-F510 HydrophobicContact CB-CE2 3.48Å; R508-F510 VanDerWaalsContact CB-CE2 3.48Å; R508-F510 HydrophobicContact CB-CZ 4.02Å; R508-F510 HydrophobicContact CG-CE2 4.49Å
511S84.3Confident83.4Confident2 Ų239.4 Ų39.41%0.01418%0.184CC..EExtended strand (participates in β ladder)trans-126.3142.9-178.843.60000111.4W365 T366 K513 N515W365-S511 CarbonylContact C-O 3.6Å; W365-S511 WeakPolarHBondContact CA-O 3.39Å; T366-S511 PolarHBondContact N-O 3.48Å; T366-S511 PolarHBondContact O-N 2.97Å; T366-S511 PolarHBondContact O-OG 3.42Å; S511-K513 VanDerWaalsContact C-N 3.33Å; S511-K513 VanDerWaalsContact CB-O 3.29Å; S511-K513 WeakPolarHBondContact CB-O 3.08Å; S511-K513 PolarHBondContact OG-O 3.11Å; S511-N515 WeakPolarHBondContact CB-ND2 3.37Å
512E76.8Confident82Confident61 Ų6137.8 Ų37.829%0.28518%0.177SC..SBendtrans-68.3-37.7-179.4-176.7160.4174.100111.6W365 T415W365-E512 HydrophobicContact CZ3-CB 4.45Å; T415-E512 PolarHBondContact O-N 3.31Å
513K77.5Confident81.1Confident41 Ų4141.3 Ų41.318%0.17819%0.186CC..SBendtrans-108.2169.1172.5-63.8-64.1-165.3151.60112.2E402 E403 D405 S511 N515E402-K513 HydrophobicContact CB-CB 3.74Å; E402-K513 HydrophobicContact CB-CG 4.07Å; E403-K513 WeakPolarHBondContact O-CE 3.36Å; E403-K513 WeakPolarHBondContact O-CG 3.4Å; D405-K513 VanDerWaalsContact OD1-CE 3.25Å; D405-K513 WeakPolarHBondContact OD1-CE 3.47Å; D405-K513 IonicContact OD1-NZ 2.67Å; D405-K513 PolarHBondContact OD1-NZ 2.83Å; D405-K513 WeakPolarHBondContact OD2-CE 3.39Å; D405-K513 IonicContact OD2-NZ 3.58Å; D405-K513 PolarHBondContact OD2-NZ 2.89Å; S511-K513 VanDerWaalsContact C-N 3.33Å; S511-K513 VanDerWaalsContact CB-O 3.29Å; S511-K513 WeakPolarHBondContact CB-O 3.08Å; S511-K513 PolarHBondContact OG-O 3.11Å; K513-N515 PolarHBondContact O-N 2.76Å; K513-N515 PolarHBondContact O-ND2 3.11Å
514R75.9Confident80.8Confident181 Ų18145 Ų4568%0.68320%0.201SC*.  trans-65.2105.7-178.9-171.6-179.4-175-177.31.7110.4
515N75.9Confident80.4Confident7 Ų743.8 Ų43.84%0.03720%0.196CC..  trans-125.4159173.5-66.4-42.2000110.1R399 L400 L401 S511 K513R399-N515 VanDerWaalsContact O-CB 3.31Å; R399-N515 WeakPolarHBondContact O-CB 3.31Å; R399-N515 PolarHBondContact O-OD1 3.19Å; L400-N515 WeakPolarHBondContact CA-OD1 3.28Å; L400-N515 HydrophobicContact CD2-CB 4.21Å; L401-N515 PolarHBondContact N-OD1 2.96Å; S511-N515 WeakPolarHBondContact CB-ND2 3.37Å; K513-N515 PolarHBondContact O-N 2.76Å; K513-N515 PolarHBondContact O-ND2 3.11Å
516T77.9Confident80Confident45 Ų4544.6 Ų44.628%0.27620%0.202SC..EExtended strand (participates in β ladder)trans-117132.9179.859.10000110.4L398 R399L398-T516 WeakPolarHBondContact CA-O 3.49Å; R399-T516 PolarHBondContact N-O 3.03Å; R399-T516 PolarHBondContact O-N 3.12Å
517S75.7Confident79.2Confident8 Ų848.7 Ų48.76%0.05622%0.224CC..EExtended strand (participates in β ladder)trans-120.8120.4164-168.20000109.8S368 R397S368-S517 WeakPolarHBondContact OG-CB 3.48Å; R397-S517 CarbonylContact O-C 3.58Å; R397-S517 WeakPolarHBondContact O-CA 3.25Å
518E79.9Confident77.8Confident89 Ų8954.6 Ų54.642%0.41625%0.251SS..EExtended strand (participates in β ladder)trans-129.2146-178.3-65.9176.2-167.700109.5Y396 R397 K453 I520Y396-E518 CarbonylContact C-O 3.59Å; Y396-E518 WeakPolarHBondContact CA-O 3.39Å; R397-E518 PolarHBondContact N-O 3.49Å; R397-E518 PolarHBondContact O-N 3.18Å; K453-E518 IonicContact NZ-OE2 3.16Å; E518-I520 PolarHBondContact O-N 3.05Å
519E76.1Confident75.6Confident51 Ų5158 Ų5824%0.23827%0.274CS..EExtended strand (participates in β ladder)trans-61.3136.2171.6-168.1170.3173.700110.6Y396 E521 N652Y396-E519 HydrophobicContact CD1-CB 3.85Å; Y396-E519 HydrophobicContact CD1-CG 4.15Å; Y396-E519 HydrophobicContact CE1-CB 3.72Å; Y396-E519 HydrophobicContact CE1-CG 3.78Å; E519-E521 HydrophobicContact CB-CG 4.12Å; E519-E521 HydrophobicContact CG-CG 3.79Å; E519-E521 PolarHBondContact O-N 2.78Å; E519-E521 VanDerWaalsContact O-N 3.12Å; E519-N652 PolarHBondContact OE1-ND2 2.73Å
520I72.3Confident73.1Confident4 Ų463.3 Ų63.32%0.02131%0.306CS..  trans-79.193.8169.8-59.9-178.2000106.5Q395 R397 K453 Q454 V491 E518Q395-I520 HydrophobicContact CB-CB 4.13Å; Q395-I520 HydrophobicContact CB-CD1 3.99Å; Q395-I520 HydrophobicContact CB-CG1 4.33Å; Q395-I520 WeakPolarHBondContact O-CB 3.37Å; Q395-I520 PolarHBondContact O-N 2.95Å; R397-I520 HydrophobicContact CB-CD1 4.12Å; R397-I520 HydrophobicContact CB-CG1 3.8Å; K453-I520 VanDerWaalsContact O-CG2 3.24Å; K453-I520 WeakPolarHBondContact O-CG2 3.17Å; Q454-I520 WeakPolarHBondContact O-CG2 3.21Å; V491-I520 HydrophobicContact CB-CD1 4.32Å; V491-I520 HydrophobicContact CG1-CD1 3.79Å; V491-I520 HydrophobicContact CG2-CD1 3.61Å; E518-I520 PolarHBondContact O-N 3.05Å
521E66.3Low70.9Confident64 Ų6466.9 Ų66.930%0.29933%0.329SS..  trans-106.6133172.2-63.5-161.9137.900110.2K453 E519 R523 N651K453-E521 CarbonylContact O-C 3.57Å; K453-E521 VanDerWaalsContact O-O 3.11Å; E519-E521 HydrophobicContact CB-CG 4.12Å; E519-E521 HydrophobicContact CG-CG 3.79Å; E519-E521 PolarHBondContact O-N 2.78Å; E519-E521 VanDerWaalsContact O-N 3.12Å; E521-R523 PolarHBondContact O-N 3.24Å; E521-N651 HydrophobicContact CB-CB 4.18Å; E521-N651 HydrophobicContact CG-CB 4.29Å; E521-N651 PolarHBondContact OE1-ND2 2.84Å
522N62.3Low68.4Low16 Ų1670.6 Ų70.69%0.08636%0.36CS..  trans-62.2137.1161.5-59.2-36.9000107.7Q454 H455 I524 R649 L650Q454-N522 WeakPolarHBondContact CA-OD1 3.5Å; H455-N522 PolarHBondContact N-OD1 3.13Å; N522-I524 PolarHBondContact O-N 3.07Å; N522-R649 HydrophobicContact CB-CB 4.45Å; N522-L650 WeakPolarHBondContact CB-O 3.29Å; N522-L650 PolarHBondContact ND2-O 2.61Å
523R72.3Confident66.4Low177 Ų17773.5 Ų73.567%0.66838%0.384SS*.  trans-59.3137.3168.1-73.4-176.6166.5-179.8-6.9109.1E521 E525 R649E521-R523 PolarHBondContact O-N 3.24Å; R523-E525 HydrophobicContact CB-CG 3.9Å; R523-E525 WeakPolarHBondContact CB-OE1 3.36Å; R523-E525 WeakPolarHBondContact CD-OE1 3.44Å; R523-E525 PolarHBondContact O-N 2.94Å; R523-R649 WeakPolarHBondContact O-CB 3.5Å
524I83.5Confident64.6Low90 Ų9076 Ų7646%0.46241%0.413SS..  trans-71.5100.8176-59.2172.3000107.3N522 R649 N651 L654 F685N522-I524 PolarHBondContact O-N 3.07Å; I524-R649 CarbonylContact C-O 3.45Å; I524-R649 VanDerWaalsContact CA-O 3.25Å; I524-R649 WeakPolarHBondContact CA-O 3.26Å; I524-N651 HydrophobicContact CG1-CB 4.43Å; I524-L654 HydrophobicContact CD1-CD1 3.89Å; I524-L654 HydrophobicContact CG1-CD1 4.12Å; I524-L654 HydrophobicContact CG2-CD1 4.24Å; I524-F685 HydrophobicContact CG2-CE1 3.82Å; I524-F685 HydrophobicContact CG2-CZ 3.56Å
525E82.6Confident62.8Low78 Ų7872.5 Ų72.536%0.36442%0.416SS..EExtended strand (participates in β ladder)trans-141.2145.9-174.2-67.3174.2-172.700108.9R523 R649R523-E525 HydrophobicContact CB-CG 3.9Å; R523-E525 WeakPolarHBondContact CB-OE1 3.36Å; R523-E525 WeakPolarHBondContact CD-OE1 3.44Å; R523-E525 PolarHBondContact O-N 2.94Å; E525-R649 HydrophobicContact CB-CB 4.43Å; E525-R649 PolarHBondContact N-O 3.15Å; E525-R649 PolarHBondContact O-N 2.93Å
526A83.2Confident61Low16 Ų1679.8 Ų79.813%0.13246%0.46CS..EExtended strand (participates in β ladder)trans-121.5127.8169.100000107.5H528 G647 F648 F685A526-H528 PolarHBondContact O-N 3.33Å; A526-H528 VanDerWaalsContact O-N 3.15Å; A526-G647 CarbonylContact C-O 3.57Å; A526-G647 WeakPolarHBondContact CA-O 3.48Å; A526-F648 HydrophobicContact CB-CD1 3.7Å; A526-F648 HydrophobicContact CB-CE1 3.88Å; A526-F685 HydrophobicContact CB-CB 4.38Å; A526-F685 HydrophobicContact CB-CD1 3.93Å; A526-F685 HydrophobicContact CB-CD2 3.88Å; A526-F685 HydrophobicContact CB-CE1 4.09Å; A526-F685 HydrophobicContact CB-CE2 4.06Å; A526-F685 HydrophobicContact CB-CG 3.81Å; A526-F685 HydrophobicContact CB-CZ 4.15Å
527D76.9Confident59.5Low86 Ų8680.3 Ų80.346%0.4648%0.475SS..  trans-61.1118173.6-69.9-17.3000107.2P529 G647 R649D527-P529 WeakPolarHBondContact O-CD 3.31Å; D527-G647 PolarHBondContact N-O 3.4Å; D527-R649 IonicContact OD1-CZ 3.67Å; D527-R649 IonicContact OD1-NE 3.57Å; D527-R649 IonicContact OD1-NH2 2.71Å; D527-R649 PolarHBondContact OD1-NH2 2.9Å; D527-R649 IonicContact OD2-NH2 3.18Å
528H64Low58.3Low125 Ų12589.5 Ų89.558%0.57952%0.517SS*.  trans-82.6115.1178.7-67147.3000110.5A526 V530 Q689A526-H528 PolarHBondContact O-N 3.33Å; A526-H528 VanDerWaalsContact O-N 3.15Å; H528-V530 HydrophobicContact CB-CG2 4.33Å; H528-Q689 VanDerWaalsContact NE2-CD 3.27Å; H528-Q689 PolarHBondContact NE2-NE2 3.31Å; H528-Q689 PolarHBondContact NE2-OE1 2.99Å
529P46.3Very low56.9Low74 Ų7489 Ų8948%0.48152%0.515SS..  trans-91.589.5135.231.6-24.5000105.6D527 P531D527-P529 WeakPolarHBondContact O-CD 3.31Å; P529-P531 WeakPolarHBondContact O-CD 3.25Å; P529-P531 VanDerWaalsContact O-N 3.11Å
530V38.8Very low56.4Low112 Ų11289 Ų8968%0.67952%0.52SS*.PPolyproline II helixtrans-56.5116.2150.7176.90000103.5H528 A532H528-V530 HydrophobicContact CB-CG2 4.33Å; V530-A532 PolarHBondContact O-N 3Å
531P41.1Very low55.8Low77 Ų7796.9 Ų96.950%0.556%0.557SS.*PPolyproline II helixtrans-58.1116170.5-13.227.4000104.5P529P529-P531 WeakPolarHBondContact O-CD 3.25Å; P529-P531 VanDerWaalsContact O-N 3.11Å
532A31.1Very low55.4Low80 Ų80100.3 Ų100.366%0.66157%0.573SS**PPolyproline II helixtrans-49.6130.6164.400000105.5V530 A534V530-A532 PolarHBondContact O-N 3Å; A532-A534 PolarHBondContact O-N 3.1Å
533P36Very low55.4Low122 Ų122102.4 Ų102.479%0.79258%0.584SS**PPolyproline II helixtrans-49120.4177.716.8-27.9000106.1S535P533-S535 PolarHBondContact O-N 3.32Å
534A38.7Very low55.2Low94 Ų9498.8 Ų98.878%0.77758%0.575SS**  trans-47108.7-173.200000107.1A532 V536A532-A534 PolarHBondContact O-N 3.1Å; A534-V536 PolarHBondContact O-N 2.83Å
535S38.2Very low54.4Low107 Ų107101 Ų10175%0.74858%0.583SS**  trans-55.9131.4170.352.60000105.1P533 G537P533-S535 PolarHBondContact O-N 3.32Å; S535-G537 PolarHBondContact O-N 3.25Å
536V37.2Very low53.7Low160 Ų16098.9 Ų98.997%0.9757%0.573SS**  trans-61.878.7176-172.40000107.9A534A534-V536 PolarHBondContact O-N 2.83Å
537G48.2Very low53.1Low57 Ų57103.9 Ų103.959%0.58859%0.588SS**PPolyproline II helixtrans-104157.8174.500000109.2S535 E539S535-G537 PolarHBondContact O-N 3.25Å; G537-E539 PolarHBondContact O-N 3.35Å
538E48.7Very low53Low200 Ų200103.4 Ų103.494%0.93559%0.588SS**PPolyproline II helixtrans-54.6131179.8-66.7178.816000110.9S540E538-S540 PolarHBondContact O-N 3.01Å
539E52.1Low53.4Low80 Ų80101.3 Ų101.337%0.37458%0.581SS.*PPolyproline II helixtrans-57.7121178.3-167.7177.8-134.200109.5G537 D543 Q544 R547G537-E539 PolarHBondContact O-N 3.35Å; E539-D543 HydrophobicContact CG-CB 3.65Å; E539-Q544 HydrophobicContact CG-CG 4.09Å; E539-Q544 PolarHBondContact OE2-NE2 2.99Å; E539-R547 WeakPolarHBondContact OE1-CD 3.11Å; E539-R547 IonicContact OE1-CZ 2.98Å; E539-R547 IonicContact OE1-NE 3.19Å; E539-R547 PolarHBondContact OE1-NE 3.3Å; E539-R547 IonicContact OE1-NH1 2.62Å; E539-R547 PolarHBondContact OE1-NH1 3.14Å; E539-R547 IonicContact OE1-NH2 3.85Å; E539-R547 IonicContact OE2-NH1 3.86Å
540S65.1Low54.9Low49 Ų4997.8 Ų97.834%0.34356%0.558SS.*PPolyproline II helixtrans-72.3160.4-177.672.20000111.6E538 E542 D543 Q544E538-S540 PolarHBondContact O-N 3.01Å; S540-E542 PolarHBondContact O-N 3.4Å; S540-D543 WeakPolarHBondContact CB-OD2 3.21Å; S540-D543 PolarHBondContact N-OD2 2.77Å; S540-D543 WeakPolarHBondContact O-CB 3.38Å; S540-D543 PolarHBondContact O-N 2.92Å; S540-D543 PolarHBondContact OG-N 3.41Å; S540-D543 VanDerWaalsContact OG-N 3.17Å; S540-D543 PolarHBondContact OG-OD2 2.78Å; S540-Q544 PolarHBondContact O-N 3.07Å; S540-Q544 VanDerWaalsContact O-N 3.14Å
541E59.8Low56.8Low170 Ų17097.5 Ų97.579%0.79455%0.549SS*.Hα-helixtrans-58.6-29.9173.7-72.4-171.4160.200112.3Q545E541-Q545 PolarHBondContact O-N 2.96Å; E541-Q545 VanDerWaalsContact O-N 3.16Å
542E58Low58.5Low137 Ų137101.5 Ų101.564%0.6456%0.561SS**Hα-helixtrans-67.9-42.7172.9-70.4-170.8153.600111.2S540 Q544 Q545 F546S540-E542 PolarHBondContact O-N 3.4Å; E542-Q544 VanDerWaalsContact C-N 3.29Å; E542-Q544 PolarHBondContact O-N 3.45Å; E542-Q545 PolarHBondContact O-N 3.5Å; E542-F546 WeakPolarHBondContact O-CB 3.44Å; E542-F546 VanDerWaalsContact O-CD2 3.27Å; E542-F546 WeakPolarHBondContact O-CD2 3.29Å; E542-F546 PolarHBondContact O-N 3.12Å
543D61.4Low60.8Low60 Ų6099 Ų9932%0.32154%0.536SS..Hα-helixtrans-61.8-36.5177.9-62.7-45.8000112.1E539 S540 F546 R547E539-D543 HydrophobicContact CG-CB 3.65Å; S540-D543 WeakPolarHBondContact CB-OD2 3.21Å; S540-D543 PolarHBondContact N-OD2 2.77Å; S540-D543 WeakPolarHBondContact O-CB 3.38Å; S540-D543 PolarHBondContact O-N 2.92Å; S540-D543 PolarHBondContact OG-N 3.41Å; S540-D543 VanDerWaalsContact OG-N 3.17Å; S540-D543 PolarHBondContact OG-OD2 2.78Å; D543-F546 PolarHBondContact O-N 3.16Å; D543-R547 WeakPolarHBondContact O-CB 3.39Å; D543-R547 PolarHBondContact O-N 3.47Å
544Q67.4Low62.9Low101 Ų10193.4 Ų93.447%0.47250%0.5SS..Hα-helixtrans-70.1-40.1175.6-76.5177.7-4.100112.8E539 S540 E542 R547 T548E539-Q544 HydrophobicContact CG-CG 4.09Å; E539-Q544 PolarHBondContact OE2-NE2 2.99Å; S540-Q544 PolarHBondContact O-N 3.07Å; S540-Q544 VanDerWaalsContact O-N 3.14Å; E542-Q544 VanDerWaalsContact C-N 3.29Å; E542-Q544 PolarHBondContact O-N 3.45Å; Q544-R547 PolarHBondContact O-N 3Å; Q544-T548 PolarHBondContact O-N 3.32Å; Q544-T548 VanDerWaalsContact O-N 3.09Å; Q544-T548 PolarHBondContact O-OG1 3.35Å
545Q68.2Low64.9Low136 Ų13690.6 Ų90.664%0.63648%0.48SS*.Hα-helixtrans-63.7-42.4171.5-81.2-175-2.800111.5E541 E542 T548 I549E541-Q545 PolarHBondContact O-N 2.96Å; E541-Q545 VanDerWaalsContact O-N 3.16Å; E542-Q545 PolarHBondContact O-N 3.5Å; Q545-T548 PolarHBondContact O-N 3.2Å; Q545-I549 VanDerWaalsContact O-CG1 3.32Å; Q545-I549 WeakPolarHBondContact O-CG1 3.42Å; Q545-I549 PolarHBondContact O-N 3.19Å
546F67.5Low66.7Low33 Ų3393.9 Ų93.915%0.14549%0.49CS..Hα-helixtrans-63.7-40.7177.1-94-76.7000112.7E542 D543 T548 I549 F550 W613E542-F546 WeakPolarHBondContact O-CB 3.44Å; E542-F546 VanDerWaalsContact O-CD2 3.27Å; E542-F546 WeakPolarHBondContact O-CD2 3.29Å; E542-F546 PolarHBondContact O-N 3.12Å; D543-F546 PolarHBondContact O-N 3.16Å; F546-T548 VanDerWaalsContact C-N 3.34Å; F546-T548 PolarHBondContact O-N 2.89Å; F546-I549 PolarHBondContact O-N 3.06Å; F546-F550 VanDerWaalsContact O-CB 3.27Å; F546-F550 WeakPolarHBondContact O-CB 3.2Å; F546-F550 PolarHBondContact O-N 2.95Å; F546-W613 AromaticContact CE1-CD1 3.25Å; F546-W613 HydrophobicContact CE1-CD2 4.27Å; F546-W613 AromaticContact CE1-CG 3.79Å; F546-W613 HydrophobicContact CE1-CG 3.79Å; F546-W613 AromaticContact CE1-NE1 3.39Å; F546-W613 AromaticContact CZ-CD1 3.29Å; F546-W613 HydrophobicContact CZ-CG 4.26Å; F546-W613 AromaticContact CZ-NE1 3.28Å; F546-W613 VanDerWaalsContact CZ-NE1 3.28Å
547R71.1Confident68.7Low121 Ų12189.9 Ų89.946%0.45746%0.463SS..Hα-helixtrans-60.3-42.3172.8-92.7-177170.3-176.5-1.9112.7E539 D543 Q544 F550 Q551 L606E539-R547 WeakPolarHBondContact OE1-CD 3.11Å; E539-R547 IonicContact OE1-CZ 2.98Å; E539-R547 IonicContact OE1-NE 3.19Å; E539-R547 PolarHBondContact OE1-NE 3.3Å; E539-R547 IonicContact OE1-NH1 2.62Å; E539-R547 PolarHBondContact OE1-NH1 3.14Å; E539-R547 IonicContact OE1-NH2 3.85Å; E539-R547 IonicContact OE2-NH1 3.86Å; D543-R547 WeakPolarHBondContact O-CB 3.39Å; D543-R547 PolarHBondContact O-N 3.47Å; Q544-R547 PolarHBondContact O-N 3Å; R547-F550 PolarHBondContact O-N 2.71Å; R547-Q551 WeakPolarHBondContact O-CB 3.19Å; R547-Q551 WeakPolarHBondContact O-CG 3.48Å; R547-Q551 PolarHBondContact O-N 2.66Å; R547-L606 HydrophobicContact CG-CD1 4.05Å; R547-L606 HydrophobicContact CG-CD2 3.47Å; R547-L606 VanDerWaalsContact CG-CD2 3.47Å; R547-L606 HydrophobicContact CG-CG 4.4Å; R547-L606 VanDerWaalsContact NE-CD2 3.32Å
548T73.8Confident70.4Confident76 Ų7690.9 Ų90.947%0.46645%0.453SS..Hα-helixtrans-65.6-45.2179.4-51.10000110.6Q544 Q545 F546 Q551 E552Q544-T548 PolarHBondContact O-N 3.32Å; Q544-T548 VanDerWaalsContact O-N 3.09Å; Q544-T548 PolarHBondContact O-OG1 3.35Å; Q545-T548 PolarHBondContact O-N 3.2Å; F546-T548 VanDerWaalsContact C-N 3.34Å; F546-T548 PolarHBondContact O-N 2.89Å; T548-Q551 PolarHBondContact O-N 3.22Å; T548-E552 PolarHBondContact O-N 3.07Å; T548-E552 VanDerWaalsContact O-N 3.09Å
549I72.1Confident72.2Confident82 Ų8284.2 Ų84.242%0.42142%0.422SS..Hα-helixtrans-62.6-44.1175.5-67.2165.7000110.5Q545 F546 Q551 E552 I553Q545-I549 VanDerWaalsContact O-CG1 3.32Å; Q545-I549 WeakPolarHBondContact O-CG1 3.42Å; Q545-I549 PolarHBondContact O-N 3.19Å; F546-I549 PolarHBondContact O-N 3.06Å; I549-Q551 PolarHBondContact O-N 2.93Å; I549-E552 PolarHBondContact O-N 3.41Å; I549-I553 HydrophobicContact CG2-CD1 3.6Å; I549-I553 WeakPolarHBondContact O-CD1 3.47Å; I549-I553 WeakPolarHBondContact O-CG1 3.49Å; I549-I553 PolarHBondContact O-N 2.94Å
550F77.8Confident73.8Confident0 Ų080.4 Ų80.40%040%0.404CS..Hα-helixtrans-60.4-44.3177-179.8-88.8000112.1F546 R547 E552 I553 A554 M558 I560 L606 F609F546-F550 VanDerWaalsContact O-CB 3.27Å; F546-F550 WeakPolarHBondContact O-CB 3.2Å; F546-F550 PolarHBondContact O-N 2.95Å; R547-F550 PolarHBondContact O-N 2.71Å; F550-E552 VanDerWaalsContact C-N 3.34Å; F550-E552 PolarHBondContact O-N 2.84Å; F550-I553 PolarHBondContact O-N 3.34Å; F550-I553 VanDerWaalsContact O-N 3.08Å; F550-A554 HydrophobicContact CD1-CB 4.21Å; F550-A554 HydrophobicContact CE1-CB 3.82Å; F550-A554 HydrophobicContact CZ-CB 4.07Å; F550-A554 WeakPolarHBondContact O-CB 3.24Å; F550-A554 PolarHBondContact O-N 2.62Å; F550-M558 HydrophobicContact CD1-CE 4.12Å; F550-M558 HydrophobicContact CE1-CE 4.01Å; F550-M558 VanDerWaalsContact CE1-O 3.31Å; F550-M558 WeakPolarHBondContact CE1-O 3.48Å; F550-M558 VanDerWaalsContact CZ-O 3.27Å; F550-M558 WeakPolarHBondContact CZ-O 3.12Å; F550-I560 HydrophobicContact CD2-CD1 3.42Å; F550-I560 VanDerWaalsContact CD2-CD1 3.42Å; F550-I560 HydrophobicContact CD2-CG1 4.09Å; F550-I560 HydrophobicContact CE2-CD1 3.34Å; F550-I560 HydrophobicContact CE2-CG1 3.58Å; F550-I560 HydrophobicContact CG-CD1 4.44Å; F550-I560 HydrophobicContact CZ-CD1 4.3Å; F550-I560 HydrophobicContact CZ-CG1 4.09Å; F550-L606 HydrophobicContact CB-CD1 3.57Å; F550-L606 HydrophobicContact CD1-CB 4.21Å; F550-L606 HydrophobicContact CD1-CD1 3.74Å; F550-L606 HydrophobicContact CD2-CB 4.49Å; F550-L606 HydrophobicContact CD2-CD1 3.81Å; F550-L606 HydrophobicContact CE1-CB 4.01Å; F550-L606 HydrophobicContact CE1-CD1 4.39Å; F550-L606 HydrophobicContact CE2-CB 4.29Å; F550-L606 HydrophobicContact CE2-CD1 4.44Å; F550-L606 HydrophobicContact CG-CB 4.46Å; F550-L606 HydrophobicContact CG-CD1 3.42Å; F550-L606 VanDerWaalsContact CG-CD1 3.42Å; F550-L606 HydrophobicContact CZ-CB 4.06Å; F550-F609 HydrophobicContact CD2-CB 3.9Å; F550-F609 AromaticContact CD2-CD1 3.68Å; F550-F609 HydrophobicContact CD2-CD1 3.68Å; F550-F609 HydrophobicContact CD2-CE1 4.42Å; F550-F609 AromaticContact CD2-CG 3.87Å; F550-F609 HydrophobicContact CD2-CG 3.87Å; F550-F609 HydrophobicContact CE2-CB 3.78Å; F550-F609 HydrophobicContact CE2-CD1 4.42Å; F550-F609 HydrophobicContact CE2-CG 4.16Å
551Q79Confident75Confident105 Ų10579.7 Ų79.749%0.49140%0.398SS..Hα-helixtrans-61.9-39.3176.8-80.6176.8-13.400112.6R547 T548 I549 I553 G555 M558R547-Q551 WeakPolarHBondContact O-CB 3.19Å; R547-Q551 WeakPolarHBondContact O-CG 3.48Å; R547-Q551 PolarHBondContact O-N 2.66Å; T548-Q551 PolarHBondContact O-N 3.22Å; I549-Q551 PolarHBondContact O-N 2.93Å; Q551-I553 PolarHBondContact O-N 2.9Å; Q551-G555 PolarHBondContact O-N 3.1Å; Q551-M558 HydrophobicContact CG-CE 3.93Å; Q551-M558 HydrophobicContact CG-SD 3.67Å
552E78Confident76.4Confident161 Ų16172.3 Ų72.375%0.75237%0.366SS*.Hα-helixtrans-64.9-24.9174.7-74.1-173.5171.100113.1T548 I549 F550T548-E552 PolarHBondContact O-N 3.07Å; T548-E552 VanDerWaalsContact O-N 3.09Å; I549-E552 PolarHBondContact O-N 3.41Å; F550-E552 VanDerWaalsContact C-N 3.34Å; F550-E552 PolarHBondContact O-N 2.84Å
553I78.6Confident77.8Confident28 Ų2869.7 Ų69.714%0.14436%0.356CS..Hα-helixtrans-91.5-49.4-176.5-64.8162.9000111.6I549 F550 Q551 I560 E564 V568 F609I549-I553 HydrophobicContact CG2-CD1 3.6Å; I549-I553 WeakPolarHBondContact O-CD1 3.47Å; I549-I553 WeakPolarHBondContact O-CG1 3.49Å; I549-I553 PolarHBondContact O-N 2.94Å; F550-I553 PolarHBondContact O-N 3.34Å; F550-I553 VanDerWaalsContact O-N 3.08Å; Q551-I553 PolarHBondContact O-N 2.9Å; I553-I560 HydrophobicContact CB-CD1 4.4Å; I553-I560 HydrophobicContact CG2-CD1 3.78Å; I553-I560 HydrophobicContact CG2-CG1 3.96Å; I553-I560 HydrophobicContact CG2-CG2 4.36Å; I553-E564 HydrophobicContact CG2-CB 4.11Å; I553-V568 HydrophobicContact CB-CG2 4.08Å; I553-V568 HydrophobicContact CD1-CB 4.12Å; I553-V568 HydrophobicContact CD1-CG1 3.58Å; I553-V568 HydrophobicContact CD1-CG2 3.45Å; I553-V568 VanDerWaalsContact CD1-CG2 3.45Å; I553-V568 HydrophobicContact CG1-CG1 4.45Å; I553-V568 HydrophobicContact CG1-CG2 3.41Å; I553-V568 VanDerWaalsContact CG1-CG2 3.41Å; I553-V568 HydrophobicContact CG2-CG2 3.51Å; I553-F609 HydrophobicContact CD1-CZ 4.49Å
554A79.5Confident79.2Confident4 Ų469.7 Ų69.73%0.03335%0.354CS..Hα-helixtrans-77.2-25.3-176.400000112F550 I560F550-A554 HydrophobicContact CD1-CB 4.21Å; F550-A554 HydrophobicContact CE1-CB 3.82Å; F550-A554 HydrophobicContact CZ-CB 4.07Å; F550-A554 WeakPolarHBondContact O-CB 3.24Å; F550-A554 PolarHBondContact O-N 2.62Å; A554-I560 HydrophobicContact CB-CG1 3.94Å
555G80.9Confident80.2Confident35 Ų3564.9 Ų64.936%0.36133%0.332SS..G310 helixtrans64.6-147.2-175.300000112Q551 D557 M558Q551-G555 PolarHBondContact O-N 3.1Å; G555-D557 PolarHBondContact O-N 3.42Å; G555-M558 PolarHBondContact O-N 2.82Å
556D76.9Confident81.3Confident176 Ų17662.3 Ų62.394%0.94132%0.317SS*.G310 helixtrans-74-21.6-168.4-64.5-30.2000114.3M558D556-M558 VanDerWaalsContact C-N 3.34Å
557D79.3Confident82.2Confident76 Ų7665.1 Ų65.141%0.40633%0.333SS..G310 helixtrans-84.9-8.5-179.770.42.8000113.1G555 E559 R603G555-D557 PolarHBondContact O-N 3.42Å; D557-E559 PolarHBondContact O-N 2.75Å; D557-E559 VanDerWaalsContact O-N 3.13Å; D557-E559 PolarHBondContact OD1-N 3.34Å; D557-R603 IonicContact OD2-CZ 3.84Å; D557-R603 IonicContact OD2-NH1 2.79Å; D557-R603 PolarHBondContact OD2-NH1 3.12Å
558M83.1Confident82.8Confident79 Ų7960.6 Ų60.639%0.38932%0.319SS..  trans54.825.4177.8-67.3-70.5-65.900113.8F550 Q551 G555 D556F550-M558 HydrophobicContact CD1-CE 4.12Å; F550-M558 HydrophobicContact CE1-CE 4.01Å; F550-M558 VanDerWaalsContact CE1-O 3.31Å; F550-M558 WeakPolarHBondContact CE1-O 3.48Å; F550-M558 VanDerWaalsContact CZ-O 3.27Å; F550-M558 WeakPolarHBondContact CZ-O 3.12Å; Q551-M558 HydrophobicContact CG-CE 3.93Å; Q551-M558 HydrophobicContact CG-SD 3.67Å; G555-M558 PolarHBondContact O-N 2.82Å; D556-M558 VanDerWaalsContact C-N 3.34Å
559E85.7Confident83.4Confident60 Ų6057.1 Ų57.128%0.2830%0.297SS..  trans-133.1131.7178.6-70.9-179.1166.600110.8D557 R603 L604D557-E559 PolarHBondContact O-N 2.75Å; D557-E559 VanDerWaalsContact O-N 3.13Å; D557-E559 PolarHBondContact OD1-N 3.34Å; E559-R603 HydrophobicContact CB-CB 4.03Å; E559-R603 WeakPolarHBondContact OE2-CD 3.46Å; E559-R603 IonicContact OE2-NE 3.87Å; E559-L604 WeakPolarHBondContact CA-O 3.44Å
560I86.2Confident84Confident0 Ų055 Ų550%029%0.287CS..BIsolated β-bridgetrans-90.3125-178-62.6178.5000110.5F550 I553 A554 E564 L565 L604 F609F550-I560 HydrophobicContact CD2-CD1 3.42Å; F550-I560 VanDerWaalsContact CD2-CD1 3.42Å; F550-I560 HydrophobicContact CD2-CG1 4.09Å; F550-I560 HydrophobicContact CE2-CD1 3.34Å; F550-I560 HydrophobicContact CE2-CG1 3.58Å; F550-I560 HydrophobicContact CG-CD1 4.44Å; F550-I560 HydrophobicContact CZ-CD1 4.3Å; F550-I560 HydrophobicContact CZ-CG1 4.09Å; I553-I560 HydrophobicContact CB-CD1 4.4Å; I553-I560 HydrophobicContact CG2-CD1 3.78Å; I553-I560 HydrophobicContact CG2-CG1 3.96Å; I553-I560 HydrophobicContact CG2-CG2 4.36Å; A554-I560 HydrophobicContact CB-CG1 3.94Å; I560-E564 HydrophobicContact CG2-CB 3.93Å; I560-L565 HydrophobicContact CG2-CB 3.79Å; I560-L604 HydrophobicContact CB-CB 4.27Å; I560-L604 PolarHBondContact N-O 2.96Å; I560-L604 PolarHBondContact O-N 2.95Å; I560-F609 HydrophobicContact CD1-CB 4.33Å; I560-F609 HydrophobicContact CD1-CD1 4.34Å; I560-F609 HydrophobicContact CD1-CD2 3.55Å; I560-F609 HydrophobicContact CD1-CE2 3.85Å; I560-F609 HydrophobicContact CD1-CG 3.81Å; I560-F609 HydrophobicContact CD1-CZ 4.37Å
561T89.8Confident84.3Confident33 Ų3364.5 Ų64.520%0.20232%0.323CS..  trans-82.6163170.369.30000112.4N563 E564 L565T561-N563 PolarHBondContact O-N 3.47Å; T561-N563 VanDerWaalsContact O-N 3.16Å; T561-E564 VanDerWaalsContact CB-OE2 3.29Å; T561-E564 WeakPolarHBondContact CB-OE2 3.47Å; T561-E564 WeakPolarHBondContact CG2-OE2 3.42Å; T561-E564 PolarHBondContact N-OE2 2.52Å; T561-E564 PolarHBondContact O-N 2.99Å; T561-E564 VanDerWaalsContact O-N 3.13Å; T561-E564 PolarHBondContact OG1-N 3.45Å; T561-E564 PolarHBondContact OG1-OE2 3Å; T561-L565 WeakPolarHBondContact O-CB 3.49Å; T561-L565 PolarHBondContact O-N 2.81Å
562A89.3Confident84.3Confident16 Ų1661.9 Ų61.913%0.13231%0.314CS..Hα-helixtrans-57.9-32.2178.400000113.7R566 L586 C589 R590 I593A562-R566 WeakPolarHBondContact O-CB 3.38Å; A562-R566 PolarHBondContact O-N 3.31Å; A562-R566 VanDerWaalsContact O-N 3.07Å; A562-L586 HydrophobicContact CB-CD1 3.99Å; A562-C589 HydrophobicContact CB-CB 4.47Å; A562-R590 HydrophobicContact CB-CG 3.65Å; A562-I593 VanDerWaalsContact CA-CD1 3.45Å; A562-I593 HydrophobicContact CB-CD1 3.91Å
563N89.1Confident84.3Confident81 Ų8154.8 Ų54.843%0.43328%0.281SS..Hα-helixtrans-72.4-42177.5-81-47.7000111.9T561 R566 N567 L586T561-N563 PolarHBondContact O-N 3.47Å; T561-N563 VanDerWaalsContact O-N 3.16Å; N563-R566 PolarHBondContact O-N 3.27Å; N563-N567 PolarHBondContact O-N 2.93Å; N563-N567 PolarHBondContact O-ND2 3.16Å; N563-N567 PolarHBondContact O-OD1 2.72Å; N563-L586 VanDerWaalsContact OD1-CD1 3.27Å; N563-L586 WeakPolarHBondContact OD1-CD1 3.44Å
564E89.7Confident84.3Confident60 Ų6058.3 Ų58.328%0.2830%0.304SS..Hα-helixtrans-64.7-45.7176-75.1147.9177.300110.7I553 I560 T561 R566 N567 V568I553-E564 HydrophobicContact CG2-CB 4.11Å; I560-E564 HydrophobicContact CG2-CB 3.93Å; T561-E564 VanDerWaalsContact CB-OE2 3.29Å; T561-E564 WeakPolarHBondContact CB-OE2 3.47Å; T561-E564 WeakPolarHBondContact CG2-OE2 3.42Å; T561-E564 PolarHBondContact N-OE2 2.52Å; T561-E564 PolarHBondContact O-N 2.99Å; T561-E564 VanDerWaalsContact O-N 3.13Å; T561-E564 PolarHBondContact OG1-N 3.45Å; T561-E564 PolarHBondContact OG1-OE2 3Å; E564-R566 VanDerWaalsContact C-N 3.32Å; E564-R566 PolarHBondContact O-N 2.81Å; E564-N567 PolarHBondContact O-N 2.82Å; E564-V568 WeakPolarHBondContact O-CG2 3.38Å; E564-V568 PolarHBondContact O-N 3.17Å
565L88.6Confident84.1Confident1 Ų162.9 Ų62.91%0.00533%0.332CS..Hα-helixtrans-55.6-47.4175.4-175.661.3000111.4I560 T561 N567 V568 L569 C589 M592 I593 L604 F609 L612I560-L565 HydrophobicContact CG2-CB 3.79Å; T561-L565 WeakPolarHBondContact O-CB 3.49Å; T561-L565 PolarHBondContact O-N 2.81Å; L565-N567 PolarHBondContact O-N 3.45Å; L565-V568 PolarHBondContact O-N 3.23Å; L565-L569 HydrophobicContact CD1-CD1 3.76Å; L565-L569 HydrophobicContact CD1-CG 4Å; L565-L569 HydrophobicContact CD2-CD1 4.38Å; L565-L569 HydrophobicContact CG-CD1 3.69Å; L565-L569 HydrophobicContact CG-CG 4.32Å; L565-L569 WeakPolarHBondContact O-CB 3.48Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.25Å; L565-L569 PolarHBondContact O-N 3.11Å; L565-C589 HydrophobicContact CB-CB 4.47Å; L565-C589 HydrophobicContact CD2-CB 4.1Å; L565-C589 HydrophobicContact CG-CB 4.37Å; L565-M592 HydrophobicContact CD2-CB 4.28Å; L565-I593 HydrophobicContact CD2-CD1 4.22Å; L565-I593 HydrophobicContact CD2-CG1 3.78Å; L565-L604 HydrophobicContact CD1-CD1 4.29Å; L565-L604 HydrophobicContact CD2-CD1 3.89Å; L565-F609 HydrophobicContact CD1-CD2 4.14Å; L565-F609 HydrophobicContact CD1-CE2 3.85Å; L565-L612 HydrophobicContact CD1-CD2 4.39Å; L565-L612 HydrophobicContact CD2-CD2 4.11Å
566R90.6Very high83.8Confident82 Ų8263.9 Ų63.931%0.30933%0.327SS..Hα-helixtrans-58.8-48.2177.4-171.4-168.969.8-177.4-1.1112A562 N563 E564 V568 N570 F584 C589A562-R566 WeakPolarHBondContact O-CB 3.38Å; A562-R566 PolarHBondContact O-N 3.31Å; A562-R566 VanDerWaalsContact O-N 3.07Å; N563-R566 PolarHBondContact O-N 3.27Å; E564-R566 VanDerWaalsContact C-N 3.32Å; E564-R566 PolarHBondContact O-N 2.81Å; R566-V568 VanDerWaalsContact C-N 3.3Å; R566-V568 PolarHBondContact O-N 3.39Å; R566-N570 VanDerWaalsContact O-CB 3.26Å; R566-N570 WeakPolarHBondContact O-CB 3.38Å; R566-N570 VanDerWaalsContact O-CG 3.22Å; R566-N570 PolarHBondContact O-N 2.86Å; R566-F584 WeakPolarHBondContact CG-O 3.34Å; R566-C589 WeakPolarHBondContact CA-SG 3.49Å; R566-C589 HydrophobicContact CB-CB 4.34Å
567N86.5Confident83.5Confident91 Ų9164.4 Ų64.449%0.48732%0.321SS..Hα-helixtrans-62.7-40.9-176.8-67.6-18.5000111.2N563 E564 L565 R571N563-N567 PolarHBondContact O-N 2.93Å; N563-N567 PolarHBondContact O-ND2 3.16Å; N563-N567 PolarHBondContact O-OD1 2.72Å; E564-N567 PolarHBondContact O-N 2.82Å; L565-N567 PolarHBondContact O-N 3.45Å; N567-R571 VanDerWaalsContact O-CB 3.32Å; N567-R571 WeakPolarHBondContact O-CB 3.24Å; N567-R571 PolarHBondContact O-N 3.17Å
568V85.1Confident83.2Confident26 Ų2663.7 Ų63.716%0.15832%0.317CS..Hα-helixtrans-69.3-51.6179.4171.50000111.6I553 E564 L565 R566 N570 R571 V572I553-V568 HydrophobicContact CB-CG2 4.08Å; I553-V568 HydrophobicContact CD1-CB 4.12Å; I553-V568 HydrophobicContact CD1-CG1 3.58Å; I553-V568 HydrophobicContact CD1-CG2 3.45Å; I553-V568 VanDerWaalsContact CD1-CG2 3.45Å; I553-V568 HydrophobicContact CG1-CG1 4.45Å; I553-V568 HydrophobicContact CG1-CG2 3.41Å; I553-V568 VanDerWaalsContact CG1-CG2 3.41Å; I553-V568 HydrophobicContact CG2-CG2 3.51Å; E564-V568 WeakPolarHBondContact O-CG2 3.38Å; E564-V568 PolarHBondContact O-N 3.17Å; L565-V568 PolarHBondContact O-N 3.23Å; R566-V568 VanDerWaalsContact C-N 3.3Å; R566-V568 PolarHBondContact O-N 3.39Å; V568-N570 VanDerWaalsContact C-N 3.27Å; V568-N570 PolarHBondContact O-N 3.08Å; V568-R571 WeakPolarHBondContact O-CB 3.39Å; V568-R571 PolarHBondContact O-N 2.8Å; V568-R571 VanDerWaalsContact O-N 3.17Å; V568-V572 WeakPolarHBondContact O-CG2 3.48Å; V568-V572 PolarHBondContact O-N 3.36Å
569L84.6Confident82.7Confident4 Ų459.9 Ų59.92%0.02130%0.298CS..Hα-helixtrans-60.5-40.6-179.1-69.9170.5000110.9L565 V572 I573 F584 M592 W613 I616L565-L569 HydrophobicContact CD1-CD1 3.76Å; L565-L569 HydrophobicContact CD1-CG 4Å; L565-L569 HydrophobicContact CD2-CD1 4.38Å; L565-L569 HydrophobicContact CG-CD1 3.69Å; L565-L569 HydrophobicContact CG-CG 4.32Å; L565-L569 WeakPolarHBondContact O-CB 3.48Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.25Å; L565-L569 PolarHBondContact O-N 3.11Å; L569-V572 PolarHBondContact O-N 3.21Å; L569-I573 WeakPolarHBondContact O-CB 3.27Å; L569-I573 WeakPolarHBondContact O-CG1 3.28Å; L569-I573 PolarHBondContact O-N 3.26Å; L569-F584 HydrophobicContact CB-CD2 3.39Å; L569-F584 HydrophobicContact CB-CE2 3.7Å; L569-F584 HydrophobicContact CB-CG 4.4Å; L569-F584 HydrophobicContact CD1-CD2 3.81Å; L569-F584 HydrophobicContact CD1-CE2 3.96Å; L569-F584 HydrophobicContact CD1-CG 4.25Å; L569-F584 HydrophobicContact CD2-CE2 4.08Å; L569-F584 HydrophobicContact CG-CD2 4.13Å; L569-F584 HydrophobicContact CG-CE2 4.16Å; L569-M592 HydrophobicContact CD1-SD 4.07Å; L569-W613 HydrophobicContact CD2-CE3 3.94Å; L569-W613 HydrophobicContact CD2-CZ3 3.53Å; L569-I616 HydrophobicContact CD1-CD1 4.33Å; L569-I616 HydrophobicContact CD2-CD1 3.82Å
570N86.4Confident82.1Confident37 Ų3762.4 Ų62.420%0.19831%0.313CS..Hα-helixtrans-69-37.4177.9-70.2-7.7000112.2R566 V568 V572 I573 T574 G583 F584R566-N570 VanDerWaalsContact O-CB 3.26Å; R566-N570 WeakPolarHBondContact O-CB 3.38Å; R566-N570 VanDerWaalsContact O-CG 3.22Å; R566-N570 PolarHBondContact O-N 2.86Å; V568-N570 VanDerWaalsContact C-N 3.27Å; V568-N570 PolarHBondContact O-N 3.08Å; N570-V572 VanDerWaalsContact C-N 3.28Å; N570-V572 PolarHBondContact O-N 3Å; N570-I573 PolarHBondContact O-N 2.78Å; N570-T574 VanDerWaalsContact O-CG2 3.25Å; N570-T574 WeakPolarHBondContact O-CG2 3.4Å; N570-T574 PolarHBondContact O-N 3.15Å; N570-T574 PolarHBondContact O-OG1 3.19Å; N570-G583 WeakPolarHBondContact OD1-CA 3.33Å; N570-F584 PolarHBondContact ND2-O 2.85Å; N570-F584 VanDerWaalsContact ND2-O 3.1Å; N570-F584 PolarHBondContact OD1-N 2.9Å
571R82.6Confident81.7Confident199 Ų19964 Ų6475%0.75132%0.323SS*.Hα-helixtrans-60.1-40.2172.9-173.1176.1173.5-174.7-4.9111.3N567 V568 T574N567-R571 VanDerWaalsContact O-CB 3.32Å; N567-R571 WeakPolarHBondContact O-CB 3.24Å; N567-R571 PolarHBondContact O-N 3.17Å; V568-R571 WeakPolarHBondContact O-CB 3.39Å; V568-R571 PolarHBondContact O-N 2.8Å; V568-R571 VanDerWaalsContact O-N 3.17Å; R571-T574 PolarHBondContact O-OG1 3.15Å
572V79.5Confident81.2Confident50 Ų5072.2 Ų72.230%0.30336%0.359SS..Hα-helixtrans-72-44.7176.8178.70000111.8V568 L569 N570 T574 T575 W613V568-V572 WeakPolarHBondContact O-CG2 3.48Å; V568-V572 PolarHBondContact O-N 3.36Å; L569-V572 PolarHBondContact O-N 3.21Å; N570-V572 VanDerWaalsContact C-N 3.28Å; N570-V572 PolarHBondContact O-N 3Å; V572-T574 VanDerWaalsContact C-N 3.27Å; V572-T574 PolarHBondContact O-N 2.9Å; V572-T575 WeakPolarHBondContact O-CB 3.37Å; V572-T575 PolarHBondContact O-N 3.47Å; V572-T575 PolarHBondContact O-OG1 3.17Å; V572-W613 HydrophobicContact CB-CH2 3.89Å; V572-W613 HydrophobicContact CG1-CH2 3.78Å; V572-W613 HydrophobicContact CG1-CZ2 4.17Å; V572-W613 HydrophobicContact CG2-CH2 3.61Å; V572-W613 HydrophobicContact CG2-CZ2 4.41Å; V572-W613 HydrophobicContact CG2-CZ3 4.48Å
573I79.1Confident81Confident13 Ų1372 Ų727%0.06736%0.358CS..Hα-helixtrans-57.5-38.7177.8-79.5179.9000112.2L569 N570 T575 H576 T581 F584 F671L569-I573 WeakPolarHBondContact O-CB 3.27Å; L569-I573 WeakPolarHBondContact O-CG1 3.28Å; L569-I573 PolarHBondContact O-N 3.26Å; N570-I573 PolarHBondContact O-N 2.78Å; I573-T575 PolarHBondContact O-N 2.75Å; I573-H576 CarbonylContact O-C 3.55Å; I573-H576 WeakPolarHBondContact O-CA 3.22Å; I573-H576 WeakPolarHBondContact O-CB 3.47Å; I573-H576 PolarHBondContact O-N 2.89Å; I573-T581 HydrophobicContact CG2-CG2 3.3Å; I573-F584 HydrophobicContact CD1-CD2 3.32Å; I573-F584 HydrophobicContact CD1-CE2 3.14Å; I573-F584 HydrophobicContact CD1-CG 4.29Å; I573-F584 HydrophobicContact CD1-CZ 3.9Å; I573-F584 HydrophobicContact CG1-CD2 4.45Å; I573-F584 HydrophobicContact CG1-CE2 4.09Å; I573-F671 HydrophobicContact CD1-CD1 3.87Å; I573-F671 HydrophobicContact CD1-CE1 3.81Å; I573-F671 HydrophobicContact CG1-CE1 4.31Å
574T76.8Confident81Confident101 Ų10168.4 Ų68.462%0.6234%0.339SS*.THydrogen-bonded Turntrans-60.8-19.4179.158.60000113.7N570 R571 V572 H576N570-T574 VanDerWaalsContact O-CG2 3.25Å; N570-T574 WeakPolarHBondContact O-CG2 3.4Å; N570-T574 PolarHBondContact O-N 3.15Å; N570-T574 PolarHBondContact O-OG1 3.19Å; R571-T574 PolarHBondContact O-OG1 3.15Å; V572-T574 VanDerWaalsContact C-N 3.27Å; V572-T574 PolarHBondContact O-N 2.9Å; T574-H576 VanDerWaalsContact C-N 3.33Å
575T76.7Confident81Confident101 Ų10167.8 Ų67.862%0.6234%0.341SS*.THydrogen-bonded Turntrans-77.2-20172.7720000113V572 I573 K577V572-T575 WeakPolarHBondContact O-CB 3.37Å; V572-T575 PolarHBondContact O-N 3.47Å; V572-T575 PolarHBondContact O-OG1 3.17Å; I573-T575 PolarHBondContact O-N 2.75Å; T575-K577 PolarHBondContact O-N 2.75Å
576H74.1Confident81.1Confident55 Ų5569.6 Ų69.626%0.25535%0.35SS..  trans-99.171.7177.7-67.6-66.3000111.2I573 T574 D578 L579 Q620 K624I573-H576 CarbonylContact O-C 3.55Å; I573-H576 WeakPolarHBondContact O-CA 3.22Å; I573-H576 WeakPolarHBondContact O-CB 3.47Å; I573-H576 PolarHBondContact O-N 2.89Å; T574-H576 VanDerWaalsContact C-N 3.33Å; H576-D578 VanDerWaalsContact CA-OD1 3.32Å; H576-D578 WeakPolarHBondContact CA-OD1 3.43Å; H576-D578 WeakPolarHBondContact CB-OD1 3.4Å; H576-D578 IonicContact ND1-OD1 3.99Å; H576-D578 PolarHBondContact O-N 3.41Å; H576-L579 HydrophobicContact CB-CD1 3.8Å; H576-L579 HydrophobicContact CB-CG 4.07Å; H576-L579 PolarHBondContact O-N 3.18Å; H576-L579 VanDerWaalsContact O-N 3.07Å; H576-Q620 PolarHBondContact CD2-NE2 3.06Å; H576-Q620 VanDerWaalsContact CD2-NE2 3.29Å; H576-Q620 PolarHBondContact NE2-NE2 2.92Å; H576-K624 PolarHBondContact ND1-NZ 3.46Å
577K71.4Confident80.9Confident188 Ų18871.1 Ų71.182%0.81736%0.361SS*.G310 helixtrans-59.1-20.7179.7-65.7-173.9178.3-1780113.8T575 L579 N580T575-K577 PolarHBondContact O-N 2.75Å; K577-L579 VanDerWaalsContact C-N 3.26Å; K577-L579 PolarHBondContact O-N 3.04Å; K577-N580 PolarHBondContact O-N 3.22Å
578D71.4Confident81Confident60 Ų6067.3 Ų67.332%0.32134%0.341SS..G310 helixtrans-70.1-17.3177.258.7-45.4000114H576 K624H576-D578 VanDerWaalsContact CA-OD1 3.32Å; H576-D578 WeakPolarHBondContact CA-OD1 3.43Å; H576-D578 WeakPolarHBondContact CB-OD1 3.4Å; H576-D578 IonicContact ND1-OD1 3.99Å; H576-D578 PolarHBondContact O-N 3.41Å; D578-K624 IonicContact OD1-NZ 3.52Å; D578-K624 WeakPolarHBondContact OD2-CD 3.38Å; D578-K624 WeakPolarHBondContact OD2-CE 3.43Å; D578-K624 IonicContact OD2-NZ 2.7Å; D578-K624 PolarHBondContact OD2-NZ 3.48Å
579L74.4Confident81.3Confident0 Ų066 Ų660%033%0.334CS..G310 helixtrans-82.1-15.9177.6-70176.4000113.9H576 K577 T581 Q620 F623 K624 G632 F671H576-L579 HydrophobicContact CB-CD1 3.8Å; H576-L579 HydrophobicContact CB-CG 4.07Å; H576-L579 PolarHBondContact O-N 3.18Å; H576-L579 VanDerWaalsContact O-N 3.07Å; K577-L579 VanDerWaalsContact C-N 3.26Å; K577-L579 PolarHBondContact O-N 3.04Å; L579-T581 HydrophobicContact CB-CG2 3.89Å; L579-T581 PolarHBondContact O-N 3.31Å; L579-T581 VanDerWaalsContact O-N 3.09Å; L579-Q620 HydrophobicContact CD1-CG 4.29Å; L579-Q620 HydrophobicContact CD2-CG 4.44Å; L579-F623 HydrophobicContact CD2-CD1 3.82Å; L579-F623 HydrophobicContact CD2-CE1 4.16Å; L579-K624 HydrophobicContact CD2-CD 4.49Å; L579-K624 HydrophobicContact CD2-CG 3.88Å; L579-G632 WeakPolarHBondContact O-CA 3.26Å; L579-F671 HydrophobicContact CD1-CD1 4.2Å; L579-F671 HydrophobicContact CD1-CE1 4.16Å; L579-F671 HydrophobicContact CD1-CG 4.5Å; L579-F671 HydrophobicContact CD1-CZ 4.45Å; L579-F671 HydrophobicContact CD2-CD2 4.35Å
580N71.9Confident81.4Confident113 Ų11372 Ų7260%0.60436%0.356SS*.  trans4049.3179.4-166.840000114.1K577 T631K577-N580 PolarHBondContact O-N 3.22Å; N580-T631 PolarHBondContact ND2-O 2.82Å
581T77.4Confident81.4Confident34 Ų3470.6 Ų70.621%0.20935%0.349CS..  trans-115.7151.3-174.8175.20000111.4I573 L579 G583 F671I573-T581 HydrophobicContact CG2-CG2 3.3Å; L579-T581 HydrophobicContact CB-CG2 3.89Å; L579-T581 PolarHBondContact O-N 3.31Å; L579-T581 VanDerWaalsContact O-N 3.09Å; T581-G583 PolarHBondContact O-N 3.12Å; T581-G583 PolarHBondContact OG1-N 3.38Å; T581-G583 VanDerWaalsContact OG1-N 3.15Å; T581-F671 HydrophobicContact CG2-CB 4.5Å
582E79.7Confident81.6Confident205 Ų20561.1 Ų61.196%0.95831%0.314SS*.  trans-74.4-6.2171.9-60-170.317000113.1
583G85.3Confident81.9Confident10 Ų1059 Ų5910%0.10330%0.3CS..  trans94.1178.8-174.100000112.5N570 T581N570-G583 WeakPolarHBondContact OD1-CA 3.33Å; T581-G583 PolarHBondContact O-N 3.12Å; T581-G583 PolarHBondContact OG1-N 3.38Å; T581-G583 VanDerWaalsContact OG1-N 3.15Å
584F89.3Confident82Confident6 Ų659.4 Ų59.43%0.02631%0.306CS..  trans-73134.6175.8-66.8-75.5000111.9R566 L569 N570 I573 M592 I616 F671 D672 I675R566-F584 WeakPolarHBondContact CG-O 3.34Å; L569-F584 HydrophobicContact CB-CD2 3.39Å; L569-F584 HydrophobicContact CB-CE2 3.7Å; L569-F584 HydrophobicContact CB-CG 4.4Å; L569-F584 HydrophobicContact CD1-CD2 3.81Å; L569-F584 HydrophobicContact CD1-CE2 3.96Å; L569-F584 HydrophobicContact CD1-CG 4.25Å; L569-F584 HydrophobicContact CD2-CE2 4.08Å; L569-F584 HydrophobicContact CG-CD2 4.13Å; L569-F584 HydrophobicContact CG-CE2 4.16Å; N570-F584 PolarHBondContact ND2-O 2.85Å; N570-F584 VanDerWaalsContact ND2-O 3.1Å; N570-F584 PolarHBondContact OD1-N 2.9Å; I573-F584 HydrophobicContact CD1-CD2 3.32Å; I573-F584 HydrophobicContact CD1-CE2 3.14Å; I573-F584 HydrophobicContact CD1-CG 4.29Å; I573-F584 HydrophobicContact CD1-CZ 3.9Å; I573-F584 HydrophobicContact CG1-CD2 4.45Å; I573-F584 HydrophobicContact CG1-CE2 4.09Å; F584-M592 HydrophobicContact CD1-CE 3.44Å; F584-M592 VanDerWaalsContact CD1-CE 3.44Å; F584-M592 HydrophobicContact CE1-CE 3.4Å; F584-M592 VanDerWaalsContact CE1-CE 3.4Å; F584-M592 HydrophobicContact CG-CE 4.34Å; F584-M592 HydrophobicContact CZ-CE 4.19Å; F584-I616 HydrophobicContact CZ-CG2 4.33Å; F584-F671 HydrophobicContact CE1-CE1 4.38Å; F584-F671 HydrophobicContact CE2-CE1 4.22Å; F584-F671 HydrophobicContact CZ-CD1 4.21Å; F584-F671 AromaticContact CZ-CE1 3.66Å; F584-F671 HydrophobicContact CZ-CE1 3.66Å; F584-F671 HydrophobicContact CZ-CZ 4.42Å; F584-D672 HydrophobicContact CD1-CB 4.41Å; F584-D672 VanDerWaalsContact CD1-OD1 3.26Å; F584-D672 WeakPolarHBondContact CD1-OD1 3.33Å; F584-I675 HydrophobicContact CE1-CB 3.86Å; F584-I675 HydrophobicContact CE1-CG1 4.09Å; F584-I675 HydrophobicContact CE1-CG2 3.9Å; F584-I675 HydrophobicContact CZ-CB 4.42Å; F584-I675 HydrophobicContact CZ-CG1 4.24Å; F584-I675 HydrophobicContact CZ-CG2 4.29Å
585S90.6Very high81.9Confident47 Ų4755.6 Ų55.633%0.32928%0.281SS..  trans-71.5158.616977.20000111.8E587 S588 C589 D672S585-E587 PolarHBondContact O-N 3.22Å; S585-E587 PolarHBondContact OG-N 3.04Å; S585-S588 PolarHBondContact O-N 3.33Å; S585-S588 WeakPolarHBondContact OG-CB 3.41Å; S585-S588 PolarHBondContact OG-N 2.65Å; S585-S588 PolarHBondContact OG-OG 3.16Å; S585-C589 PolarHBondContact O-N 3.28Å; S585-C589 VanDerWaalsContact O-N 3.14Å; S585-C589 PolarHBondContact O-SG 2.99Å; S585-D672 VanDerWaalsContact CB-OD2 3.31Å; S585-D672 WeakPolarHBondContact CB-OD2 3.39Å; S585-D672 PolarHBondContact N-OD2 2.77Å; S585-D672 PolarHBondContact OG-OD2 3.48Å
586L89.9Confident81.9Confident39 Ų3951.5 Ų51.520%0.20426%0.255CS..Hα-helixtrans-61.9-32.7174.1-178.161.2000111.7A562 N563 C589 R590A562-L586 HydrophobicContact CB-CD1 3.99Å; N563-L586 VanDerWaalsContact OD1-CD1 3.27Å; N563-L586 WeakPolarHBondContact OD1-CD1 3.44Å; L586-C589 PolarHBondContact O-N 2.84Å; L586-R590 WeakPolarHBondContact O-CG 3.16Å; L586-R590 PolarHBondContact O-N 3.03Å
587E86.8Confident82.1Confident115 Ų11549.5 Ų49.554%0.53725%0.247SC..Hα-helixtrans-71.7-40.9-179.2-167.759.4-161.800111.6S585 C589 R590 S591S585-E587 PolarHBondContact O-N 3.22Å; S585-E587 PolarHBondContact OG-N 3.04Å; E587-C589 VanDerWaalsContact C-N 3.31Å; E587-C589 PolarHBondContact O-N 3.17Å; E587-R590 PolarHBondContact O-N 2.89Å; E587-R590 IonicContact OE2-NH1 3.31Å; E587-R590 PolarHBondContact OE2-NH1 3.09Å; E587-S591 WeakPolarHBondContact O-CB 3.44Å; E587-S591 PolarHBondContact O-N 3.37Å
588S88.8Confident82Confident10 Ų1047.8 Ų47.87%0.0724%0.243CC..Hα-helixtrans-59.6-43.4171.6-61.30000111.5S585 S591 M592 D672S585-S588 PolarHBondContact O-N 3.33Å; S585-S588 WeakPolarHBondContact OG-CB 3.41Å; S585-S588 PolarHBondContact OG-N 2.65Å; S585-S588 PolarHBondContact OG-OG 3.16Å; S588-S591 PolarHBondContact O-N 3.24Å; S588-M592 WeakPolarHBondContact O-CB 3.38Å; S588-M592 WeakPolarHBondContact O-CG 3.4Å; S588-M592 PolarHBondContact O-N 3.31Å; S588-D672 WeakPolarHBondContact CB-OD1 3.4Å; S588-D672 PolarHBondContact OG-OD1 3.4Å; S588-D672 PolarHBondContact OG-OD2 2.98Å
589C90.1Very high82.1Confident0 Ų049 Ų490%025%0.25CS..Hα-helixtrans-64.3-41175.2-65.90000112.4A562 L565 R566 S585 L586 E587 S591 M592 I593A562-C589 HydrophobicContact CB-CB 4.47Å; L565-C589 HydrophobicContact CB-CB 4.47Å; L565-C589 HydrophobicContact CD2-CB 4.1Å; L565-C589 HydrophobicContact CG-CB 4.37Å; R566-C589 WeakPolarHBondContact CA-SG 3.49Å; R566-C589 HydrophobicContact CB-CB 4.34Å; S585-C589 PolarHBondContact O-N 3.28Å; S585-C589 VanDerWaalsContact O-N 3.14Å; S585-C589 PolarHBondContact O-SG 2.99Å; L586-C589 PolarHBondContact O-N 2.84Å; E587-C589 VanDerWaalsContact C-N 3.31Å; E587-C589 PolarHBondContact O-N 3.17Å; C589-S591 VanDerWaalsContact C-N 3.35Å; C589-S591 PolarHBondContact O-N 3.15Å; C589-M592 PolarHBondContact O-N 2.83Å; C589-I593 WeakPolarHBondContact O-CG1 3.08Å; C589-I593 PolarHBondContact O-N 3.44Å
590R88.1Confident82Confident128 Ų12851.6 Ų51.648%0.48328%0.277SS..Hα-helixtrans-60.4-45173.6-76.4173.1178153.5-2.7112A562 L586 E587 I593 A594A562-R590 HydrophobicContact CB-CG 3.65Å; L586-R590 WeakPolarHBondContact O-CG 3.16Å; L586-R590 PolarHBondContact O-N 3.03Å; E587-R590 PolarHBondContact O-N 2.89Å; E587-R590 IonicContact OE2-NH1 3.31Å; E587-R590 PolarHBondContact OE2-NH1 3.09Å; R590-I593 PolarHBondContact O-N 2.88Å; R590-A594 WeakPolarHBondContact O-CB 3.38Å; R590-A594 PolarHBondContact O-N 3.49Å
591S84.9Confident82.5Confident8 Ų849.3 Ų49.36%0.05627%0.267CS..Hα-helixtrans-63.3-43.3177.2-170.10000110.5E587 S588 C589 I593 A594 L595 R680E587-S591 WeakPolarHBondContact O-CB 3.44Å; E587-S591 PolarHBondContact O-N 3.37Å; S588-S591 PolarHBondContact O-N 3.24Å; C589-S591 VanDerWaalsContact C-N 3.35Å; C589-S591 PolarHBondContact O-N 3.15Å; S591-I593 VanDerWaalsContact C-N 3.32Å; S591-I593 PolarHBondContact O-N 3.15Å; S591-A594 PolarHBondContact O-N 2.91Å; S591-L595 VanDerWaalsContact O-CB 3.26Å; S591-L595 WeakPolarHBondContact O-CB 3.37Å; S591-L595 VanDerWaalsContact O-CD1 3.22Å; S591-L595 WeakPolarHBondContact O-CD1 3.27Å; S591-L595 WeakPolarHBondContact O-CG 3.29Å; S591-L595 PolarHBondContact O-N 3.21Å; S591-L595 WeakPolarHBondContact OG-CD1 3.31Å; S591-R680 PolarHBondContact OG-NH2 2.89Å
592M87.2Confident82.8Confident1 Ų149.5 Ų49.51%0.00528%0.275CS..Hα-helixtrans-57.3-44.5174.7-72.4173.8-160.800112.7L565 L569 F584 S588 C589 M596 L612 I616 I675 V679L565-M592 HydrophobicContact CD2-CB 4.28Å; L569-M592 HydrophobicContact CD1-SD 4.07Å; F584-M592 HydrophobicContact CD1-CE 3.44Å; F584-M592 VanDerWaalsContact CD1-CE 3.44Å; F584-M592 HydrophobicContact CE1-CE 3.4Å; F584-M592 VanDerWaalsContact CE1-CE 3.4Å; F584-M592 HydrophobicContact CG-CE 4.34Å; F584-M592 HydrophobicContact CZ-CE 4.19Å; S588-M592 WeakPolarHBondContact O-CB 3.38Å; S588-M592 WeakPolarHBondContact O-CG 3.4Å; S588-M592 PolarHBondContact O-N 3.31Å; C589-M592 PolarHBondContact O-N 2.83Å; M592-M596 VanDerWaalsContact O-CB 3.25Å; M592-M596 WeakPolarHBondContact O-CB 3.39Å; M592-M596 VanDerWaalsContact O-CG 3.26Å; M592-M596 WeakPolarHBondContact O-CG 3.11Å; M592-M596 PolarHBondContact O-N 3.25Å; M592-L612 HydrophobicContact CB-CD1 4.33Å; M592-L612 HydrophobicContact CB-CD2 4.05Å; M592-L612 HydrophobicContact CG-CD1 4.34Å; M592-I616 HydrophobicContact SD-CD1 4.12Å; M592-I675 HydrophobicContact CE-CB 4.38Å; M592-I675 HydrophobicContact CE-CG2 3.51Å; M592-V679 HydrophobicContact CG-CG1 4.28Å; M592-V679 HydrophobicContact CG-CG2 4.1Å
593I86.4Confident83.1Confident5 Ų543.6 Ų43.63%0.02624%0.244CC..Hα-helixtrans-63.5-54.9177-65.7-173.4000110A562 L565 C589 R590 S591 L595 M596 D597 G602 L604A562-I593 VanDerWaalsContact CA-CD1 3.45Å; A562-I593 HydrophobicContact CB-CD1 3.91Å; L565-I593 HydrophobicContact CD2-CD1 4.22Å; L565-I593 HydrophobicContact CD2-CG1 3.78Å; C589-I593 WeakPolarHBondContact O-CG1 3.08Å; C589-I593 PolarHBondContact O-N 3.44Å; R590-I593 PolarHBondContact O-N 2.88Å; S591-I593 VanDerWaalsContact C-N 3.32Å; S591-I593 PolarHBondContact O-N 3.15Å; I593-L595 PolarHBondContact O-N 3.36Å; I593-M596 PolarHBondContact O-N 3.07Å; I593-D597 HydrophobicContact CG2-CB 4.34Å; I593-D597 WeakPolarHBondContact O-CB 3.3Å; I593-D597 PolarHBondContact O-N 2.72Å; I593-G602 WeakPolarHBondContact CG2-O 3.46Å; I593-L604 HydrophobicContact CB-CG 4.42Å; I593-L604 HydrophobicContact CD1-CD1 4.49Å; I593-L604 HydrophobicContact CD1-CG 4.4Å; I593-L604 HydrophobicContact CG1-CD1 3.85Å; I593-L604 HydrophobicContact CG1-CD2 4.49Å; I593-L604 HydrophobicContact CG1-CG 3.83Å; I593-L604 HydrophobicContact CG2-CG 4.34Å
594A81.6Confident83.1Confident21 Ų2143.1 Ų43.117%0.17424%0.239CC..Hα-helixtrans-61.2-22.4-174.200000113.8R590 S591 Y712R590-A594 WeakPolarHBondContact O-CB 3.38Å; R590-A594 PolarHBondContact O-N 3.49Å; S591-A594 PolarHBondContact O-N 2.91Å; A594-Y712 HydrophobicContact CB-CD1 4.18Å; A594-Y712 HydrophobicContact CB-CE1 4.12Å; A594-Y712 WeakPolarHBondContact CB-O 3.13Å
595L74.4Confident82.9Confident21 Ų2144.9 Ų44.911%0.1125%0.249CC..Hα-helixtrans-93.4-14.4179.3-65.1169.8000113.5S591 I593 V679 R680 A683 A713S591-L595 VanDerWaalsContact O-CB 3.26Å; S591-L595 WeakPolarHBondContact O-CB 3.37Å; S591-L595 VanDerWaalsContact O-CD1 3.22Å; S591-L595 WeakPolarHBondContact O-CD1 3.27Å; S591-L595 WeakPolarHBondContact O-CG 3.29Å; S591-L595 PolarHBondContact O-N 3.21Å; S591-L595 WeakPolarHBondContact OG-CD1 3.31Å; I593-L595 PolarHBondContact O-N 3.36Å; L595-V679 HydrophobicContact CB-CG1 3.89Å; L595-V679 HydrophobicContact CD1-CB 4.44Å; L595-V679 HydrophobicContact CD1-CG1 3.78Å; L595-R680 VanDerWaalsContact CD1-CA 3.42Å; L595-R680 HydrophobicContact CD1-CB 3.88Å; L595-R680 HydrophobicContact CD1-CG 4.41Å; L595-A683 HydrophobicContact CB-CB 3.55Å; L595-A683 HydrophobicContact CD1-CB 4.39Å; L595-A683 HydrophobicContact CD2-CB 3.32Å; L595-A683 HydrophobicContact CG-CB 3.89Å; L595-A713 HydrophobicContact CD2-CB 3.89Å
596M77.1Confident82.5Confident16 Ų1644 Ų448%0.07924%0.24CC..Hα-helixtrans-108.3-22.6178.9-76.8-60.9-48.300113.4M592 I593 M598 L604 E608 H611 L612M592-M596 VanDerWaalsContact O-CB 3.25Å; M592-M596 WeakPolarHBondContact O-CB 3.39Å; M592-M596 VanDerWaalsContact O-CG 3.26Å; M592-M596 WeakPolarHBondContact O-CG 3.11Å; M592-M596 PolarHBondContact O-N 3.25Å; I593-M596 PolarHBondContact O-N 3.07Å; M596-M598 PolarHBondContact O-N 2.88Å; M596-M598 VanDerWaalsContact O-N 3.12Å; M596-L604 HydrophobicContact CB-CD2 3.61Å; M596-E608 HydrophobicContact CE-CB 4.43Å; M596-E608 WeakPolarHBondContact CE-O 3.34Å; M596-E608 WeakPolarHBondContact O-CG 3.46Å; M596-H611 HydrophobicContact CE-CB 3.87Å; M596-H611 WeakPolarHBondContact CE-CD2 3.48Å; M596-L612 HydrophobicContact CE-CB 4.34Å; M596-L612 HydrophobicContact CG-CB 4.13Å; M596-L612 HydrophobicContact CG-CD1 4.01Å; M596-L612 HydrophobicContact CG-CD2 4.47Å; M596-L612 HydrophobicContact CG-CG 4.42Å; M596-L612 HydrophobicContact SD-CB 4.45Å
597D78.5Confident82Confident13 Ų1349.8 Ų49.87%0.0727%0.266CS..  trans-68.697.5178.7170.918.4000110I593 D599 G600 T601 G602 Y712I593-D597 HydrophobicContact CG2-CB 4.34Å; I593-D597 WeakPolarHBondContact O-CB 3.3Å; I593-D597 PolarHBondContact O-N 2.72Å; D597-D599 PolarHBondContact OD1-N 2.81Å; D597-G600 WeakPolarHBondContact OD1-CA 3.31Å; D597-G600 PolarHBondContact OD1-N 2.75Å; D597-G600 WeakPolarHBondContact OD2-CA 3.35Å; D597-T601 PolarHBondContact OD1-N 2.87Å; D597-T601 VanDerWaalsContact OD1-N 3.07Å; D597-T601 PolarHBondContact OD1-OG1 3.46Å; D597-T601 PolarHBondContact OD2-N 3.36Å; D597-T601 VanDerWaalsContact OD2-N 3.17Å; D597-G602 VanDerWaalsContact OD2-CA 3.32Å; D597-G602 WeakPolarHBondContact OD2-CA 2.95Å; D597-G602 PolarHBondContact OD2-N 2.9Å; D597-Y712 PolarHBondContact OD2-OH 3.14Å
598M68.5Low81.9Confident151 Ų15145 Ų4574%0.74424%0.244SC*.SBendtrans-87.4-14.9-178-65.3-64.7-59.700112.1M596 E608M596-M598 PolarHBondContact O-N 2.88Å; M596-M598 VanDerWaalsContact O-N 3.12Å; M598-E608 PolarHBondContact N-OE1 2.83Å
599D72.6Confident81.6Confident87 Ų8744.7 Ų44.747%0.46524%0.241SC..SBendtrans-102.1-5.7-177.961.324.2000113.9D597 T601 N605D597-D599 PolarHBondContact OD1-N 2.81Å; D599-T601 VanDerWaalsContact C-N 3.34Å; D599-T601 HydrophobicContact CB-CG2 4.41Å; D599-T601 VanDerWaalsContact OD1-CB 3.28Å; D599-T601 WeakPolarHBondContact OD1-CB 3.08Å; D599-T601 WeakPolarHBondContact OD1-CG2 3.3Å; D599-T601 PolarHBondContact OD1-N 2.91Å; D599-T601 PolarHBondContact OD1-OG1 2.95Å; D599-N605 PolarHBondContact OD2-ND2 3.03Å
600G74Confident81.1Confident54 Ų5446.4 Ų46.456%0.55725%0.25SS*.SBendtrans75.821.2174.500000113.5D597 G602D597-G600 WeakPolarHBondContact OD1-CA 3.31Å; D597-G600 PolarHBondContact OD1-N 2.75Å; D597-G600 WeakPolarHBondContact OD2-CA 3.35Å; G600-G602 VanDerWaalsContact C-N 3.33Å
601T81.9Confident80.8Confident65 Ų6542.5 Ų42.540%0.39924%0.237SC..SBendtrans-78.7-17.9-177.156.10000113.3D597 D599 R603D597-T601 PolarHBondContact OD1-N 2.87Å; D597-T601 VanDerWaalsContact OD1-N 3.07Å; D597-T601 PolarHBondContact OD1-OG1 3.46Å; D597-T601 PolarHBondContact OD2-N 3.36Å; D597-T601 VanDerWaalsContact OD2-N 3.17Å; D599-T601 VanDerWaalsContact C-N 3.34Å; D599-T601 HydrophobicContact CB-CG2 4.41Å; D599-T601 VanDerWaalsContact OD1-CB 3.28Å; D599-T601 WeakPolarHBondContact OD1-CB 3.08Å; D599-T601 WeakPolarHBondContact OD1-CG2 3.3Å; D599-T601 PolarHBondContact OD1-N 2.91Å; D599-T601 PolarHBondContact OD1-OG1 2.95Å; T601-R603 VanDerWaalsContact C-N 3.25Å; T601-R603 PolarHBondContact OG1-N 3.44Å; T601-R603 PolarHBondContact OG1-O 3.03Å
602G82.5Confident80.7Confident37 Ų3742.2 Ų42.238%0.38124%0.235SC..SBendtrans72.418.8-170.700000113I593 D597 G600 Y712I593-G602 WeakPolarHBondContact CG2-O 3.46Å; D597-G602 VanDerWaalsContact OD2-CA 3.32Å; D597-G602 WeakPolarHBondContact OD2-CA 2.95Å; D597-G602 PolarHBondContact OD2-N 2.9Å; G600-G602 VanDerWaalsContact C-N 3.33Å; G602-Y712 WeakPolarHBondContact CA-OH 3.38Å; G602-Y712 PolarHBondContact N-OH 3.44Å
603R86.6Confident80.5Confident82 Ų8243.6 Ų43.631%0.30924%0.24SC..SBendtrans-137.9172.3-178.2-64.7174.2175.5-123.512.7109.8D557 E559 T601D557-R603 IonicContact OD2-CZ 3.84Å; D557-R603 IonicContact OD2-NH1 2.79Å; D557-R603 PolarHBondContact OD2-NH1 3.12Å; E559-R603 HydrophobicContact CB-CB 4.03Å; E559-R603 WeakPolarHBondContact OE2-CD 3.46Å; E559-R603 IonicContact OE2-NE 3.87Å; T601-R603 VanDerWaalsContact C-N 3.25Å; T601-R603 PolarHBondContact OG1-N 3.44Å; T601-R603 PolarHBondContact OG1-O 3.03Å
604L85.5Confident80.4Confident0 Ų047.4 Ų47.40%026%0.261CS..BIsolated β-bridgetrans-110.9125.3175.2-65.6169.8000111.4E559 I560 L565 I593 M596 E608 F609 L612E559-L604 WeakPolarHBondContact CA-O 3.44Å; I560-L604 HydrophobicContact CB-CB 4.27Å; I560-L604 PolarHBondContact N-O 2.96Å; I560-L604 PolarHBondContact O-N 2.95Å; L565-L604 HydrophobicContact CD1-CD1 4.29Å; L565-L604 HydrophobicContact CD2-CD1 3.89Å; I593-L604 HydrophobicContact CB-CG 4.42Å; I593-L604 HydrophobicContact CD1-CD1 4.49Å; I593-L604 HydrophobicContact CD1-CG 4.4Å; I593-L604 HydrophobicContact CG1-CD1 3.85Å; I593-L604 HydrophobicContact CG1-CD2 4.49Å; I593-L604 HydrophobicContact CG1-CG 3.83Å; I593-L604 HydrophobicContact CG2-CG 4.34Å; M596-L604 HydrophobicContact CB-CD2 3.61Å; L604-E608 WeakPolarHBondContact CA-OE2 3.37Å; L604-E608 HydrophobicContact CB-CB 4.49Å; L604-E608 HydrophobicContact CD2-CB 3.74Å; L604-F609 HydrophobicContact CD1-CD2 4.5Å; L604-L612 HydrophobicContact CD1-CD2 3.79Å
605N85.9Confident80.5Confident43 Ų4347.5 Ų47.523%0.2326%0.257CS..  trans-78.6173.2164.568.654.4000111.1D599 Q607 E608 F609D599-N605 PolarHBondContact OD2-ND2 3.03Å; N605-Q607 VanDerWaalsContact C-N 3.33Å; N605-Q607 PolarHBondContact O-N 3.4Å; N605-Q607 PolarHBondContact OD1-N 2.79Å; N605-E608 PolarHBondContact N-OE2 3.16Å; N605-E608 PolarHBondContact ND2-OE1 2.73Å; N605-E608 PolarHBondContact ND2-OE2 3.29Å; N605-E608 VanDerWaalsContact ND2-OE2 3.14Å; N605-E608 PolarHBondContact O-N 2.84Å; N605-E608 WeakPolarHBondContact OD1-CG 3.5Å; N605-E608 PolarHBondContact OD1-N 2.98Å; N605-E608 VanDerWaalsContact OD1-N 3.08Å; N605-F609 WeakPolarHBondContact O-CB 3.49Å; N605-F609 PolarHBondContact O-N 2.84Å
606L81.1Confident81.1Confident29 Ų2947 Ų4715%0.15226%0.255CS..Hα-helixtrans-57.7-41.9-176.3176.669.6000113.3R547 F550 F609 I610R547-L606 HydrophobicContact CG-CD1 4.05Å; R547-L606 HydrophobicContact CG-CD2 3.47Å; R547-L606 VanDerWaalsContact CG-CD2 3.47Å; R547-L606 HydrophobicContact CG-CG 4.4Å; R547-L606 VanDerWaalsContact NE-CD2 3.32Å; F550-L606 HydrophobicContact CB-CD1 3.57Å; F550-L606 HydrophobicContact CD1-CB 4.21Å; F550-L606 HydrophobicContact CD1-CD1 3.74Å; F550-L606 HydrophobicContact CD2-CB 4.49Å; F550-L606 HydrophobicContact CD2-CD1 3.81Å; F550-L606 HydrophobicContact CE1-CB 4.01Å; F550-L606 HydrophobicContact CE1-CD1 4.39Å; F550-L606 HydrophobicContact CE2-CB 4.29Å; F550-L606 HydrophobicContact CE2-CD1 4.44Å; F550-L606 HydrophobicContact CG-CB 4.46Å; F550-L606 HydrophobicContact CG-CD1 3.42Å; F550-L606 VanDerWaalsContact CG-CD1 3.42Å; F550-L606 HydrophobicContact CZ-CB 4.06Å; L606-F609 PolarHBondContact O-N 2.76Å; L606-I610 HydrophobicContact CD1-CD1 4Å; L606-I610 HydrophobicContact CD1-CG1 4.36Å; L606-I610 HydrophobicContact CG-CD1 3.95Å; L606-I610 VanDerWaalsContact O-CG1 3.27Å; L606-I610 WeakPolarHBondContact O-CG1 3.24Å; L606-I610 PolarHBondContact O-N 2.81Å
607Q79.9Confident81.5Confident159 Ų15951.2 Ų51.274%0.74327%0.272SS*.Hα-helixtrans-69.9-41.7-176.9-71.2-173.2-16.900111.1N605 I610 H611N605-Q607 VanDerWaalsContact C-N 3.33Å; N605-Q607 PolarHBondContact O-N 3.4Å; N605-Q607 PolarHBondContact OD1-N 2.79Å; Q607-I610 PolarHBondContact O-N 2.65Å; Q607-H611 PolarHBondContact O-N 3.46Å
608E83.9Confident81.9Confident15 Ų1555.8 Ų55.87%0.0729%0.293CS..Hα-helixtrans-64.1-41.8176.2-65.5166.9164.300111.3M596 M598 L604 N605 H611 L612M596-E608 HydrophobicContact CE-CB 4.43Å; M596-E608 WeakPolarHBondContact CE-O 3.34Å; M596-E608 WeakPolarHBondContact O-CG 3.46Å; M598-E608 PolarHBondContact N-OE1 2.83Å; L604-E608 WeakPolarHBondContact CA-OE2 3.37Å; L604-E608 HydrophobicContact CB-CB 4.49Å; L604-E608 HydrophobicContact CD2-CB 3.74Å; N605-E608 PolarHBondContact N-OE2 3.16Å; N605-E608 PolarHBondContact ND2-OE1 2.73Å; N605-E608 PolarHBondContact ND2-OE2 3.29Å; N605-E608 VanDerWaalsContact ND2-OE2 3.14Å; N605-E608 PolarHBondContact O-N 2.84Å; N605-E608 WeakPolarHBondContact OD1-CG 3.5Å; N605-E608 PolarHBondContact OD1-N 2.98Å; N605-E608 VanDerWaalsContact OD1-N 3.08Å; E608-H611 PolarHBondContact O-N 3.24Å; E608-L612 WeakPolarHBondContact O-CB 3.36Å; E608-L612 PolarHBondContact O-N 2.8Å
609F83.2Confident82.9Confident4 Ų448.7 Ų48.72%0.01826%0.258CS..Hα-helixtrans-62.5-45.2176.1179.3-103.3000112.5F550 I553 I560 L565 L604 N605 L606 H611 L612 W613F550-F609 HydrophobicContact CD2-CB 3.9Å; F550-F609 AromaticContact CD2-CD1 3.68Å; F550-F609 HydrophobicContact CD2-CD1 3.68Å; F550-F609 HydrophobicContact CD2-CE1 4.42Å; F550-F609 AromaticContact CD2-CG 3.87Å; F550-F609 HydrophobicContact CD2-CG 3.87Å; F550-F609 HydrophobicContact CE2-CB 3.78Å; F550-F609 HydrophobicContact CE2-CD1 4.42Å; F550-F609 HydrophobicContact CE2-CG 4.16Å; I553-F609 HydrophobicContact CD1-CZ 4.49Å; I560-F609 HydrophobicContact CD1-CB 4.33Å; I560-F609 HydrophobicContact CD1-CD1 4.34Å; I560-F609 HydrophobicContact CD1-CD2 3.55Å; I560-F609 HydrophobicContact CD1-CE2 3.85Å; I560-F609 HydrophobicContact CD1-CG 3.81Å; I560-F609 HydrophobicContact CD1-CZ 4.37Å; L565-F609 HydrophobicContact CD1-CD2 4.14Å; L565-F609 HydrophobicContact CD1-CE2 3.85Å; L604-F609 HydrophobicContact CD1-CD2 4.5Å; N605-F609 WeakPolarHBondContact O-CB 3.49Å; N605-F609 PolarHBondContact O-N 2.84Å; L606-F609 PolarHBondContact O-N 2.76Å; F609-H611 VanDerWaalsContact C-N 3.33Å; F609-H611 PolarHBondContact O-N 3.3Å; F609-L612 PolarHBondContact O-N 3.02Å; F609-W613 HydrophobicContact CE2-CE3 4.45Å; F609-W613 HydrophobicContact CZ-CE3 4.05Å; F609-W613 VanDerWaalsContact O-CB 3.27Å; F609-W613 WeakPolarHBondContact O-CB 3.38Å; F609-W613 PolarHBondContact O-N 3.23Å
610I79.7Confident83.7Confident36 Ų3645.8 Ų45.819%0.18524%0.242CC..Hα-helixtrans-60-45.4177.2-71.3167.1000110.5L606 Q607 W613 N614L606-I610 HydrophobicContact CD1-CD1 4Å; L606-I610 HydrophobicContact CD1-CG1 4.36Å; L606-I610 HydrophobicContact CG-CD1 3.95Å; L606-I610 VanDerWaalsContact O-CG1 3.27Å; L606-I610 WeakPolarHBondContact O-CG1 3.24Å; L606-I610 PolarHBondContact O-N 2.81Å; Q607-I610 PolarHBondContact O-N 2.65Å; I610-W613 PolarHBondContact O-N 2.72Å; I610-N614 PolarHBondContact O-N 2.95Å; I610-N614 PolarHBondContact O-ND2 3.31Å
611H80.9Confident84.3Confident45 Ų4545.3 Ų45.321%0.20824%0.237CC..Hα-helixtrans-62.5-48.2179.2-173.584.3000111.6M596 Q607 E608 F609 W613 N614 K615 R686M596-H611 HydrophobicContact CE-CB 3.87Å; M596-H611 WeakPolarHBondContact CE-CD2 3.48Å; Q607-H611 PolarHBondContact O-N 3.46Å; E608-H611 PolarHBondContact O-N 3.24Å; F609-H611 VanDerWaalsContact C-N 3.33Å; F609-H611 PolarHBondContact O-N 3.3Å; H611-W613 VanDerWaalsContact C-N 3.32Å; H611-W613 PolarHBondContact O-N 2.77Å; H611-N614 PolarHBondContact O-N 2.78Å; H611-K615 WeakPolarHBondContact O-CG 3.09Å; H611-K615 PolarHBondContact O-N 2.91Å; H611-R686 PolarHBondContact NE2-NH2 3.49Å
612L84.1Confident84.7Confident3 Ų343.2 Ų43.22%0.01622%0.223CC..Hα-helixtrans-58.4-45176.6177.460.2000111.3L565 M592 M596 L604 E608 F609 N614 K615 I616 V679L565-L612 HydrophobicContact CD1-CD2 4.39Å; L565-L612 HydrophobicContact CD2-CD2 4.11Å; M592-L612 HydrophobicContact CB-CD1 4.33Å; M592-L612 HydrophobicContact CB-CD2 4.05Å; M592-L612 HydrophobicContact CG-CD1 4.34Å; M596-L612 HydrophobicContact CE-CB 4.34Å; M596-L612 HydrophobicContact CG-CB 4.13Å; M596-L612 HydrophobicContact CG-CD1 4.01Å; M596-L612 HydrophobicContact CG-CD2 4.47Å; M596-L612 HydrophobicContact CG-CG 4.42Å; M596-L612 HydrophobicContact SD-CB 4.45Å; L604-L612 HydrophobicContact CD1-CD2 3.79Å; E608-L612 WeakPolarHBondContact O-CB 3.36Å; E608-L612 PolarHBondContact O-N 2.8Å; F609-L612 PolarHBondContact O-N 3.02Å; L612-N614 PolarHBondContact O-N 2.79Å; L612-K615 WeakPolarHBondContact O-CB 3.48Å; L612-K615 PolarHBondContact O-N 3.32Å; L612-I616 HydrophobicContact CD1-CD1 3.98Å; L612-I616 HydrophobicContact CD1-CG1 4.2Å; L612-I616 HydrophobicContact CG-CD1 3.93Å; L612-I616 HydrophobicContact CG-CG1 4.49Å; L612-I616 WeakPolarHBondContact O-CG1 3.26Å; L612-I616 PolarHBondContact O-N 3.3Å; L612-V679 HydrophobicContact CD1-CG2 4.39Å
613W83.3Confident85.1Confident30 Ų3041.5 Ų41.511%0.11421%0.205CC..Hα-helixtrans-61.8-45.1-178.4-174.3-97.5000112.9F546 L569 V572 F609 I610 H611 K615 I616 K617F546-W613 AromaticContact CE1-CD1 3.25Å; F546-W613 HydrophobicContact CE1-CD2 4.27Å; F546-W613 AromaticContact CE1-CG 3.79Å; F546-W613 HydrophobicContact CE1-CG 3.79Å; F546-W613 AromaticContact CE1-NE1 3.39Å; F546-W613 AromaticContact CZ-CD1 3.29Å; F546-W613 HydrophobicContact CZ-CG 4.26Å; F546-W613 AromaticContact CZ-NE1 3.28Å; F546-W613 VanDerWaalsContact CZ-NE1 3.28Å; L569-W613 HydrophobicContact CD2-CE3 3.94Å; L569-W613 HydrophobicContact CD2-CZ3 3.53Å; V572-W613 HydrophobicContact CB-CH2 3.89Å; V572-W613 HydrophobicContact CG1-CH2 3.78Å; V572-W613 HydrophobicContact CG1-CZ2 4.17Å; V572-W613 HydrophobicContact CG2-CH2 3.61Å; V572-W613 HydrophobicContact CG2-CZ2 4.41Å; V572-W613 HydrophobicContact CG2-CZ3 4.48Å; F609-W613 HydrophobicContact CE2-CE3 4.45Å; F609-W613 HydrophobicContact CZ-CE3 4.05Å; F609-W613 VanDerWaalsContact O-CB 3.27Å; F609-W613 WeakPolarHBondContact O-CB 3.38Å; F609-W613 PolarHBondContact O-N 3.23Å; I610-W613 PolarHBondContact O-N 2.72Å; H611-W613 VanDerWaalsContact C-N 3.32Å; H611-W613 PolarHBondContact O-N 2.77Å; W613-K615 VanDerWaalsContact C-N 3.3Å; W613-K615 PolarHBondContact O-N 3.23Å; W613-I616 PolarHBondContact O-N 3.05Å; W613-K617 PolarHBondContact O-N 3.17Å
614N83.3Confident85.1Confident85 Ų8540.8 Ų40.846%0.45520%0.204SC..Hα-helixtrans-63.1-38.2178.2-72.9-23.7000111.7I610 H611 L612 K617 Q618I610-N614 PolarHBondContact O-N 2.95Å; I610-N614 PolarHBondContact O-ND2 3.31Å; H611-N614 PolarHBondContact O-N 2.78Å; L612-N614 PolarHBondContact O-N 2.79Å; N614-K617 PolarHBondContact O-N 3.21Å; N614-Q618 PolarHBondContact O-N 3.31Å
615K84.7Confident85.2Confident22 Ų2246.9 Ų46.910%0.09623%0.232CC..Hα-helixtrans-64.6-46.9174.3-71.7-74.6-174.71490112.3H611 L612 W613 K617 Q618 W619 E682H611-K615 WeakPolarHBondContact O-CG 3.09Å; H611-K615 PolarHBondContact O-N 2.91Å; L612-K615 WeakPolarHBondContact O-CB 3.48Å; L612-K615 PolarHBondContact O-N 3.32Å; W613-K615 VanDerWaalsContact C-N 3.3Å; W613-K615 PolarHBondContact O-N 3.23Å; K615-K617 VanDerWaalsContact C-N 3.3Å; K615-K617 PolarHBondContact O-N 3.2Å; K615-Q618 PolarHBondContact O-N 2.94Å; K615-W619 HydrophobicContact CB-CE3 4.23Å; K615-W619 HydrophobicContact CB-CH2 4.14Å; K615-W619 HydrophobicContact CB-CZ2 4.49Å; K615-W619 HydrophobicContact CB-CZ3 3.97Å; K615-W619 HydrophobicContact CD-CH2 4.32Å; K615-W619 HydrophobicContact CD-CZ2 4.05Å; K615-W619 PolarHBondContact O-N 3.44Å; K615-E682 WeakPolarHBondContact CE-OE1 3.33Å; K615-E682 WeakPolarHBondContact CE-OE2 3Å; K615-E682 IonicContact NZ-OE1 3.08Å; K615-E682 PolarHBondContact NZ-OE1 3.14Å; K615-E682 IonicContact NZ-OE2 3.75Å; K615-E682 PolarHBondContact NZ-OE2 3.41Å
616I86.4Confident85.2Confident11 Ų1146.7 Ų46.76%0.05623%0.229CC..Hα-helixtrans-58.7-43.8176.5-68.1173.2000110.5L569 F584 M592 L612 W613 Q618 W619 Q620 I675L569-I616 HydrophobicContact CD1-CD1 4.33Å; L569-I616 HydrophobicContact CD2-CD1 3.82Å; F584-I616 HydrophobicContact CZ-CG2 4.33Å; M592-I616 HydrophobicContact SD-CD1 4.12Å; L612-I616 HydrophobicContact CD1-CD1 3.98Å; L612-I616 HydrophobicContact CD1-CG1 4.2Å; L612-I616 HydrophobicContact CG-CD1 3.93Å; L612-I616 HydrophobicContact CG-CG1 4.49Å; L612-I616 WeakPolarHBondContact O-CG1 3.26Å; L612-I616 PolarHBondContact O-N 3.3Å; W613-I616 PolarHBondContact O-N 3.05Å; I616-Q618 PolarHBondContact O-N 3.3Å; I616-W619 PolarHBondContact O-N 3.48Å; I616-Q620 WeakPolarHBondContact O-CB 3.46Å; I616-Q620 PolarHBondContact O-N 3.01Å; I616-I675 HydrophobicContact CG1-CG2 4.07Å
617K84.3Confident85.3Confident104 Ų10445.6 Ų45.645%0.45222%0.223SC..Hα-helixtrans-60.3-44.8175.5-84.3-177.2165.9176.70112.8W613 N614 K615 Q620 G621W613-K617 PolarHBondContact O-N 3.17Å; N614-K617 PolarHBondContact O-N 3.21Å; K615-K617 VanDerWaalsContact C-N 3.3Å; K615-K617 PolarHBondContact O-N 3.2Å; K617-Q620 WeakPolarHBondContact O-CB 3.25Å; K617-Q620 PolarHBondContact O-N 2.8Å; K617-G621 PolarHBondContact O-N 3.05Å
618Q87.3Confident84.9Confident109 Ų10942 Ų4251%0.50922%0.22SC..Hα-helixtrans-61.3-51.3178.3-176.4-177.6600110.9N614 K615 I616 Q620 G621 I622N614-Q618 PolarHBondContact O-N 3.31Å; K615-Q618 PolarHBondContact O-N 2.94Å; I616-Q618 PolarHBondContact O-N 3.3Å; Q618-Q620 VanDerWaalsContact C-N 3.3Å; Q618-Q620 PolarHBondContact O-N 3.11Å; Q618-G621 PolarHBondContact O-N 2.75Å; Q618-G621 VanDerWaalsContact O-N 3.09Å; Q618-I622 PolarHBondContact O-N 2.94Å
619W90.4Very high84.5Confident3 Ų346.6 Ų46.61%0.01125%0.245CC..Hα-helixtrans-68.9-28-179.7-63-29.7000113K615 I616 G621 I622 F623 F648 F674 I675 L678 V679 E682K615-W619 HydrophobicContact CB-CE3 4.23Å; K615-W619 HydrophobicContact CB-CH2 4.14Å; K615-W619 HydrophobicContact CB-CZ2 4.49Å; K615-W619 HydrophobicContact CB-CZ3 3.97Å; K615-W619 HydrophobicContact CD-CH2 4.32Å; K615-W619 HydrophobicContact CD-CZ2 4.05Å; K615-W619 PolarHBondContact O-N 3.44Å; I616-W619 PolarHBondContact O-N 3.48Å; W619-G621 VanDerWaalsContact C-N 3.31Å; W619-G621 PolarHBondContact O-N 3.31Å; W619-I622 PolarHBondContact O-N 2.76Å; W619-F623 WeakPolarHBondContact O-CB 3.4Å; W619-F623 PolarHBondContact O-N 3.18Å; W619-F648 HydrophobicContact CZ2-CE2 4.29Å; W619-F674 HydrophobicContact CB-CE1 4.28Å; W619-I675 HydrophobicContact CB-CD1 3.57Å; W619-I675 HydrophobicContact CE3-CD1 4.15Å; W619-L678 HydrophobicContact CB-CD1 3.92Å; W619-L678 HydrophobicContact CD2-CB 3.93Å; W619-L678 HydrophobicContact CD2-CD1 3.63Å; W619-L678 HydrophobicContact CD2-CG 4.46Å; W619-L678 HydrophobicContact CE3-CB 3.94Å; W619-L678 HydrophobicContact CE3-CD1 4.26Å; W619-L678 HydrophobicContact CG-CD1 3.47Å; W619-L678 VanDerWaalsContact CG-CD1 3.47Å; W619-L678 HydrophobicContact CH2-CB 3.92Å; W619-L678 HydrophobicContact CZ2-CB 3.9Å; W619-L678 HydrophobicContact CZ3-CB 3.96Å; W619-V679 HydrophobicContact CE3-CG2 4.46Å; W619-V679 HydrophobicContact CH2-CG2 4.19Å; W619-V679 HydrophobicContact CZ3-CB 4.46Å; W619-V679 HydrophobicContact CZ3-CG2 3.51Å; W619-E682 WeakPolarHBondContact CH2-OE2 3.36Å; W619-E682 VanDerWaalsContact CZ2-OE2 3.25Å; W619-E682 WeakPolarHBondContact CZ2-OE2 3.35Å
620Q88.6Confident84.1Confident26 Ų2652.7 Ų52.712%0.12127%0.274CS..Hα-helixtrans-60-41.4168.9-173.8-167.610.700111.5H576 L579 I616 K617 Q618 I622 F623 K624 F671H576-Q620 PolarHBondContact CD2-NE2 3.06Å; H576-Q620 VanDerWaalsContact CD2-NE2 3.29Å; H576-Q620 PolarHBondContact NE2-NE2 2.92Å; L579-Q620 HydrophobicContact CD1-CG 4.29Å; L579-Q620 HydrophobicContact CD2-CG 4.44Å; I616-Q620 WeakPolarHBondContact O-CB 3.46Å; I616-Q620 PolarHBondContact O-N 3.01Å; K617-Q620 WeakPolarHBondContact O-CB 3.25Å; K617-Q620 PolarHBondContact O-N 2.8Å; Q618-Q620 VanDerWaalsContact C-N 3.3Å; Q618-Q620 PolarHBondContact O-N 3.11Å; Q620-I622 VanDerWaalsContact C-N 3.34Å; Q620-I622 PolarHBondContact O-N 3.17Å; Q620-F623 PolarHBondContact O-N 3.15Å; Q620-K624 WeakPolarHBondContact O-CG 3.4Å; Q620-K624 PolarHBondContact O-N 2.8Å; Q620-F671 HydrophobicContact CB-CE2 4.07Å; Q620-F671 HydrophobicContact CB-CZ 3.93Å; Q620-F671 HydrophobicContact CG-CE2 4.15Å; Q620-F671 HydrophobicContact CG-CZ 3.98Å
621G87.6Confident84Confident43 Ų4354.1 Ų54.144%0.44329%0.285SS..Hα-helixtrans-59.8-44174.900000112.4K617 Q618 W619 K624 H625K617-G621 PolarHBondContact O-N 3.05Å; Q618-G621 PolarHBondContact O-N 2.75Å; Q618-G621 VanDerWaalsContact O-N 3.09Å; W619-G621 VanDerWaalsContact C-N 3.31Å; W619-G621 PolarHBondContact O-N 3.31Å; G621-K624 PolarHBondContact O-N 2.94Å; G621-H625 PolarHBondContact O-N 3.12Å; G621-H625 VanDerWaalsContact O-N 3.17Å
622I90.6Very high84Confident22 Ų2252.2 Ų52.211%0.11328%0.277CS..Hα-helixtrans-64.2-46.8176.3-58.2175.2000110.4Q618 W619 Q620 K624 H625 Y626 A642 D645 A646 F674Q618-I622 PolarHBondContact O-N 2.94Å; W619-I622 PolarHBondContact O-N 2.76Å; Q620-I622 VanDerWaalsContact C-N 3.34Å; Q620-I622 PolarHBondContact O-N 3.17Å; I622-K624 VanDerWaalsContact C-N 3.29Å; I622-K624 PolarHBondContact O-N 2.9Å; I622-H625 VanDerWaalsContact O-CB 3.29Å; I622-H625 WeakPolarHBondContact O-CB 3.32Å; I622-H625 PolarHBondContact O-N 3.49Å; I622-Y626 HydrophobicContact CG2-CD2 4.01Å; I622-Y626 HydrophobicContact CG2-CE2 4.01Å; I622-Y626 WeakPolarHBondContact O-CD2 3.44Å; I622-Y626 PolarHBondContact O-N 3.01Å; I622-A642 HydrophobicContact CG2-CB 4.26Å; I622-D645 HydrophobicContact CD1-CB 4.48Å; I622-D645 WeakPolarHBondContact CD1-O 3.48Å; I622-D645 HydrophobicContact CG2-CB 4.13Å; I622-A646 VanDerWaalsContact CD1-CA 3.48Å; I622-A646 HydrophobicContact CD1-CB 3.89Å; I622-F674 HydrophobicContact CG2-CZ 4.3Å
623F89.4Confident84.1Confident0 Ų053 Ų530%028%0.282CS..Hα-helixtrans-58.3-43.3180-175.5-86.5000111.9L579 W619 Q620 H625 Y626 N627 I634 F671 F674L579-F623 HydrophobicContact CD2-CD1 3.82Å; L579-F623 HydrophobicContact CD2-CE1 4.16Å; W619-F623 WeakPolarHBondContact O-CB 3.4Å; W619-F623 PolarHBondContact O-N 3.18Å; Q620-F623 PolarHBondContact O-N 3.15Å; F623-H625 VanDerWaalsContact C-N 3.27Å; F623-H625 PolarHBondContact O-N 3.07Å; F623-Y626 PolarHBondContact O-N 3.36Å; F623-N627 HydrophobicContact CD1-CB 4.12Å; F623-N627 HydrophobicContact CE1-CB 3.9Å; F623-N627 VanDerWaalsContact O-CB 3.28Å; F623-N627 WeakPolarHBondContact O-CB 3.48Å; F623-N627 PolarHBondContact O-N 3.49Å; F623-I634 HydrophobicContact CB-CD1 4.34Å; F623-I634 HydrophobicContact CD2-CD1 3.24Å; F623-I634 HydrophobicContact CD2-CG1 3.74Å; F623-I634 HydrophobicContact CE2-CD1 3.63Å; F623-I634 HydrophobicContact CE2-CG1 3.62Å; F623-I634 HydrophobicContact CG-CD1 3.9Å; F623-I634 HydrophobicContact CG-CG1 4.37Å; F623-I634 HydrophobicContact CZ-CG1 4.18Å; F623-F671 HydrophobicContact CB-CD2 3.97Å; F623-F671 HydrophobicContact CB-CE2 4.08Å; F623-F671 AromaticContact CD1-CD2 3.76Å; F623-F671 HydrophobicContact CD1-CD2 3.76Å; F623-F671 AromaticContact CD2-CD2 3.85Å; F623-F671 HydrophobicContact CD2-CD2 3.85Å; F623-F671 HydrophobicContact CE1-CB 4.1Å; F623-F671 HydrophobicContact CE1-CD2 4.18Å; F623-F671 HydrophobicContact CE2-CB 4.16Å; F623-F671 HydrophobicContact CE2-CD2 4.27Å; F623-F671 AromaticContact CG-CD2 3.59Å; F623-F671 HydrophobicContact CG-CD2 3.59Å; F623-F671 HydrophobicContact CG-CE2 4.21Å; F623-F671 HydrophobicContact CZ-CB 3.91Å; F623-F671 HydrophobicContact CZ-CD2 4.42Å; F623-F674 HydrophobicContact CB-CD1 4.06Å; F623-F674 HydrophobicContact CB-CE1 4.02Å; F623-F674 HydrophobicContact CD2-CB 3.91Å; F623-F674 AromaticContact CD2-CD1 3.69Å; F623-F674 HydrophobicContact CD2-CD1 3.69Å; F623-F674 HydrophobicContact CD2-CE1 4.33Å; F623-F674 AromaticContact CD2-CG 3.81Å; F623-F674 HydrophobicContact CD2-CG 3.81Å; F623-F674 HydrophobicContact CE2-CB 4.11Å; F623-F674 HydrophobicContact CE2-CG 4.45Å; F623-F674 HydrophobicContact CG-CD1 4.34Å
624K86.9Confident84.3Confident67 Ų6751.6 Ų51.629%0.29128%0.277SS..Hα-helixtrans-64-31176.4-71.3-177-174.9-157.40113.3H576 D578 L579 Q620 G621 I622H576-K624 PolarHBondContact ND1-NZ 3.46Å; D578-K624 IonicContact OD1-NZ 3.52Å; D578-K624 WeakPolarHBondContact OD2-CD 3.38Å; D578-K624 WeakPolarHBondContact OD2-CE 3.43Å; D578-K624 IonicContact OD2-NZ 2.7Å; D578-K624 PolarHBondContact OD2-NZ 3.48Å; L579-K624 HydrophobicContact CD2-CD 4.49Å; L579-K624 HydrophobicContact CD2-CG 3.88Å; Q620-K624 WeakPolarHBondContact O-CG 3.4Å; Q620-K624 PolarHBondContact O-N 2.8Å; G621-K624 PolarHBondContact O-N 2.94Å; I622-K624 VanDerWaalsContact C-N 3.29Å; I622-K624 PolarHBondContact O-N 2.9Å
625H87.8Confident84.4Confident128 Ų12850.4 Ų50.459%0.59327%0.271SS*.Hα-helixtrans-64.1-42.4175.9-177.460.1000111.7G621 I622 F623G621-H625 PolarHBondContact O-N 3.12Å; G621-H625 VanDerWaalsContact O-N 3.17Å; I622-H625 VanDerWaalsContact O-CB 3.29Å; I622-H625 WeakPolarHBondContact O-CB 3.32Å; I622-H625 PolarHBondContact O-N 3.49Å; F623-H625 VanDerWaalsContact C-N 3.27Å; F623-H625 PolarHBondContact O-N 3.07Å
626Y86.2Confident84.3Confident39 Ų3949.5 Ų49.515%0.15327%0.267CS..Hα-helixtrans-86.2-23.8-179.1-71.4-81.6000113.6I622 F623 A628 E638 N641 A642 D645I622-Y626 HydrophobicContact CG2-CD2 4.01Å; I622-Y626 HydrophobicContact CG2-CE2 4.01Å; I622-Y626 WeakPolarHBondContact O-CD2 3.44Å; I622-Y626 PolarHBondContact O-N 3.01Å; F623-Y626 PolarHBondContact O-N 3.36Å; Y626-A628 PolarHBondContact O-N 2.97Å; Y626-A628 VanDerWaalsContact O-N 3.11Å; Y626-E638 HydrophobicContact CD1-CB 4.2Å; Y626-N641 HydrophobicContact CE1-CB 3.72Å; Y626-N641 WeakPolarHBondContact OH-CB 3.48Å; Y626-A642 HydrophobicContact CD2-CB 3.67Å; Y626-A642 HydrophobicContact CE2-CB 3.9Å; Y626-A642 HydrophobicContact CG-CB 4.1Å; Y626-D645 HydrophobicContact CE2-CB 4.47Å; Y626-D645 VanDerWaalsContact CE2-OD2 3.27Å; Y626-D645 WeakPolarHBondContact CE2-OD2 2.94Å; Y626-D645 VanDerWaalsContact CZ-OD2 3.31Å; Y626-D645 PolarHBondContact OH-OD2 3.34Å
627N82.8Confident84Confident6 Ų649.4 Ų49.43%0.03227%0.266CS..  trans-84.646.6170.9-176.551.4000111.7F623 D629 Q630 T631 G632 S633F623-N627 HydrophobicContact CD1-CB 4.12Å; F623-N627 HydrophobicContact CE1-CB 3.9Å; F623-N627 VanDerWaalsContact O-CB 3.28Å; F623-N627 WeakPolarHBondContact O-CB 3.48Å; F623-N627 PolarHBondContact O-N 3.49Å; N627-D629 PolarHBondContact O-N 2.8Å; N627-D629 PolarHBondContact OD1-OD1 3.49Å; N627-Q630 PolarHBondContact O-N 3.18Å; N627-T631 PolarHBondContact OD1-N 3.08Å; N627-T631 VanDerWaalsContact OD1-N 3.14Å; N627-T631 PolarHBondContact OD1-OG1 2.84Å; N627-G632 PolarHBondContact OD1-N 2.8Å; N627-S633 PolarHBondContact OD1-N 3.1Å; N627-S633 PolarHBondContact OD1-O 2.89Å
628A71.6Confident84Confident83 Ų8348.5 Ų48.569%0.68626%0.263SS*.THydrogen-bonded Turntrans-65.2-25.2-175.100000113.1Y626 Q630Y626-A628 PolarHBondContact O-N 2.97Å; Y626-A628 VanDerWaalsContact O-N 3.11Å; A628-Q630 VanDerWaalsContact C-N 3.28Å
629D74.7Confident83.9Confident112 Ų11243.5 Ų43.560%0.59924%0.24SC*.THydrogen-bonded Turntrans-82.8-2.6176.266.32000113.8N627 T631N627-D629 PolarHBondContact O-N 2.8Å; N627-D629 PolarHBondContact OD1-OD1 3.49Å; D629-T631 HydrophobicContact CB-CG2 4.2Å; D629-T631 PolarHBondContact O-N 2.78Å; D629-T631 WeakPolarHBondContact OD1-CB 3.42Å; D629-T631 WeakPolarHBondContact OD1-CG2 3.5Å; D629-T631 PolarHBondContact OD1-N 2.98Å; D629-T631 VanDerWaalsContact OD1-N 3.12Å; D629-T631 PolarHBondContact OD1-OG1 2.83Å; D629-T631 WeakPolarHBondContact OD2-CG2 3.23Å
630Q75.1Confident83.7Confident132 Ų13243.7 Ų43.762%0.61724%0.241SC*.  trans56.228.3-179.8-57.6-179.60.300113.7N627 A628 G632N627-Q630 PolarHBondContact O-N 3.18Å; A628-Q630 VanDerWaalsContact C-N 3.28Å; Q630-G632 PolarHBondContact O-N 2.8Å
631T78.2Confident83.6Confident67 Ų6744 Ų4441%0.41124%0.244SC..SBendtrans-69.2-21.3176.6550000112.7N580 N627 D629 S633N580-T631 PolarHBondContact ND2-O 2.82Å; N627-T631 PolarHBondContact OD1-N 3.08Å; N627-T631 VanDerWaalsContact OD1-N 3.14Å; N627-T631 PolarHBondContact OD1-OG1 2.84Å; D629-T631 HydrophobicContact CB-CG2 4.2Å; D629-T631 PolarHBondContact O-N 2.78Å; D629-T631 WeakPolarHBondContact OD1-CB 3.42Å; D629-T631 WeakPolarHBondContact OD1-CG2 3.5Å; D629-T631 PolarHBondContact OD1-N 2.98Å; D629-T631 VanDerWaalsContact OD1-N 3.12Å; D629-T631 PolarHBondContact OD1-OG1 2.83Å; D629-T631 WeakPolarHBondContact OD2-CG2 3.23Å; T631-S633 PolarHBondContact OG1-O 2.81Å
632G81.3Confident83.8Confident4 Ų442 Ų424%0.04122%0.223CC..SBendtrans91.412.7-175.900000113.2L579 N627 Q630L579-G632 WeakPolarHBondContact O-CA 3.26Å; N627-G632 PolarHBondContact OD1-N 2.8Å; Q630-G632 PolarHBondContact O-N 2.8Å
633S85.3Confident83.7Confident19 Ų1941 Ų4113%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-151.1151.9-177.265.90000111.4N627 T631 N668 I669N627-S633 PolarHBondContact OD1-N 3.1Å; N627-S633 PolarHBondContact OD1-O 2.89Å; T631-S633 PolarHBondContact OG1-O 2.81Å; S633-N668 PolarHBondContact OG-ND2 2.73Å; S633-I669 CarbonylContact C-O 3.55Å; S633-I669 VanDerWaalsContact CA-O 3.3Å; S633-I669 WeakPolarHBondContact CA-O 3.44Å
634I87.9Confident83.6Confident1 Ų142.6 Ų42.61%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-100138.3172-58.7169.1000108.4F623 S636 E638 A642 N668 I669 F674F623-I634 HydrophobicContact CB-CD1 4.34Å; F623-I634 HydrophobicContact CD2-CD1 3.24Å; F623-I634 HydrophobicContact CD2-CG1 3.74Å; F623-I634 HydrophobicContact CE2-CD1 3.63Å; F623-I634 HydrophobicContact CE2-CG1 3.62Å; F623-I634 HydrophobicContact CG-CD1 3.9Å; F623-I634 HydrophobicContact CG-CG1 4.37Å; F623-I634 HydrophobicContact CZ-CG1 4.18Å; I634-S636 PolarHBondContact O-N 3.06Å; I634-E638 HydrophobicContact CG2-CB 3.88Å; I634-A642 HydrophobicContact CD1-CB 4.34Å; I634-N668 CarbonylContact O-C 3.56Å; I634-N668 WeakPolarHBondContact O-CA 3.35Å; I634-I669 PolarHBondContact N-O 2.74Å; I634-I669 PolarHBondContact O-N 3.15Å; I634-F674 HydrophobicContact CD1-CD2 4.22Å; I634-F674 HydrophobicContact CD1-CE2 4.25Å
635N85.7Confident83.7Confident61 Ų6143.7 Ų43.733%0.32624%0.235SC..EExtended strand (participates in β ladder)trans-64.8132.7171.2-175.1-26.1000109.9Y637 E638 M639N635-Y637 PolarHBondContact O-N 2.82Å; N635-Y637 VanDerWaalsContact OD1-CD2 3.28Å; N635-Y637 WeakPolarHBondContact OD1-CD2 3.45Å; N635-Y637 PolarHBondContact OD1-N 2.75Å; N635-E638 HydrophobicContact CB-CG 4.39Å; N635-E638 WeakPolarHBondContact O-CA 3.27Å; N635-E638 WeakPolarHBondContact O-CB 3.44Å; N635-E638 PolarHBondContact O-N 2.82Å; N635-M639 PolarHBondContact O-N 2.85Å
636S82.7Confident83.7Confident2 Ų238.2 Ų38.21%0.01421%0.212CC..Hα-helixtrans-53.2-27.2177.349.80000114.7G377 I634 E638 M639 M667G377-S636 WeakPolarHBondContact CA-OG 3.41Å; G377-S636 CarbonylContact O-C 3.59Å; G377-S636 WeakPolarHBondContact O-CB 3.27Å; G377-S636 PolarHBondContact O-OG 2.86Å; I634-S636 PolarHBondContact O-N 3.06Å; S636-E638 VanDerWaalsContact C-N 3.32Å; S636-E638 PolarHBondContact O-N 2.53Å; S636-M639 WeakPolarHBondContact O-CB 3.4Å; S636-M639 PolarHBondContact O-N 2.96Å; S636-M667 WeakPolarHBondContact CB-O 3.42Å; S636-M667 PolarHBondContact N-O 2.98Å; S636-M667 WeakPolarHBondContact OG-CB 3.29Å; S636-M667 PolarHBondContact OG-O 3.12Å
637Y79.6Confident83.8Confident9 Ų936.7 Ų36.74%0.03521%0.208CC..Hα-helixtrans-69.9-29.8173.5-68.7-76.4000112.8G377 A380 T389 T392 H500 N635G377-Y637 PolarHBondContact N-OH 3.09Å; G377-Y637 PolarHBondContact O-N 3.24Å; G377-Y637 VanDerWaalsContact O-N 3.15Å; A380-Y637 PolarHBondContact O-OH 2.97Å; T389-Y637 HydrophobicContact CG2-CD1 4.21Å; T389-Y637 HydrophobicContact CG2-CD2 4.02Å; T389-Y637 HydrophobicContact CG2-CE1 4.3Å; T389-Y637 HydrophobicContact CG2-CE2 4.18Å; T389-Y637 HydrophobicContact CG2-CG 4.05Å; T392-Y637 HydrophobicContact CG2-CD1 3.82Å; T392-Y637 WeakPolarHBondContact OG1-CD1 3.47Å; H500-Y637 AromaticContact CE1-CE2 3.49Å; H500-Y637 VanDerWaalsContact CE1-CE2 3.49Å; H500-Y637 WeakPolarHBondContact CE1-CE2 3.44Å; H500-Y637 AromaticContact CE1-CZ 3.79Å; H500-Y637 PolarHBondContact CE1-OH 2.86Å; H500-Y637 AromaticContact ND1-CE2 3.72Å; H500-Y637 AromaticContact ND1-CZ 3.66Å; H500-Y637 PolarHBondContact ND1-OH 2.99Å; N635-Y637 PolarHBondContact O-N 2.82Å; N635-Y637 VanDerWaalsContact OD1-CD2 3.28Å; N635-Y637 WeakPolarHBondContact OD1-CD2 3.45Å; N635-Y637 PolarHBondContact OD1-N 2.75Å
638E83.6Confident84.1Confident85 Ų8536.9 Ų36.940%0.39721%0.209SC..Hα-helixtrans-86.2-19.4176.2-64.8-179.5146.300112.3Y626 I634 N635 S636 R640 N641 A642Y626-E638 HydrophobicContact CD1-CB 4.2Å; I634-E638 HydrophobicContact CG2-CB 3.88Å; N635-E638 HydrophobicContact CB-CG 4.39Å; N635-E638 WeakPolarHBondContact O-CA 3.27Å; N635-E638 WeakPolarHBondContact O-CB 3.44Å; N635-E638 PolarHBondContact O-N 2.82Å; S636-E638 VanDerWaalsContact C-N 3.32Å; S636-E638 PolarHBondContact O-N 2.53Å; E638-R640 PolarHBondContact O-N 3.21Å; E638-R640 VanDerWaalsContact O-N 3.15Å; E638-N641 PolarHBondContact O-N 2.84Å; E638-A642 PolarHBondContact O-N 3.11Å; E638-A642 VanDerWaalsContact O-N 3.07Å
639M86.4Confident84.8Confident4 Ų437.1 Ų37.12%0.0219%0.192CC..Hα-helixtrans-53.1-36.8176.3173.2-95.2-71.500112.2N635 S636 N641 A642 V643 Y655 I658 T659 I669N635-M639 PolarHBondContact O-N 2.85Å; S636-M639 WeakPolarHBondContact O-CB 3.4Å; S636-M639 PolarHBondContact O-N 2.96Å; M639-N641 PolarHBondContact O-N 2.73Å; M639-A642 PolarHBondContact O-N 3.24Å; M639-V643 HydrophobicContact CG-CG2 3.9Å; M639-V643 WeakPolarHBondContact O-CB 3.28Å; M639-V643 VanDerWaalsContact O-CG2 3.28Å; M639-V643 WeakPolarHBondContact O-CG2 3.26Å; M639-V643 PolarHBondContact O-N 3.42Å; M639-V643 HydrophobicContact SD-CG2 3.76Å; M639-Y655 HydrophobicContact SD-CD1 3.9Å; M639-Y655 HydrophobicContact SD-CE1 4.39Å; M639-I658 HydrophobicContact CE-CB 3.85Å; M639-I658 HydrophobicContact CE-CG2 3.41Å; M639-I658 VanDerWaalsContact CE-CG2 3.41Å; M639-I658 HydrophobicContact CG-CG2 4.41Å; M639-I658 HydrophobicContact SD-CB 4.29Å; M639-I658 HydrophobicContact SD-CG2 3.65Å; M639-T659 WeakPolarHBondContact CE-OG1 3.28Å; M639-I669 HydrophobicContact CB-CD1 3.75Å; M639-I669 HydrophobicContact CE-CD1 4.12Å; M639-I669 HydrophobicContact CG-CD1 3.54Å
640R86.4Confident85.4Confident8 Ų831.8 Ų31.83%0.0316%0.163CC..Hα-helixtrans-54-43.5175178.3177.1-66.3-113.10.7112.1E638 N644 N652 Y655E638-R640 PolarHBondContact O-N 3.21Å; E638-R640 VanDerWaalsContact O-N 3.15Å; R640-N644 VanDerWaalsContact O-CG 3.24Å; R640-N644 PolarHBondContact O-N 3.12Å; R640-N644 VanDerWaalsContact O-N 3.13Å; R640-N644 PolarHBondContact O-ND2 2.65Å; R640-N644 VanDerWaalsContact O-ND2 3.08Å; R640-N652 VanDerWaalsContact CZ-OD1 3.24Å; R640-N652 PolarHBondContact NH1-OD1 3.41Å; R640-N652 PolarHBondContact NH2-OD1 2.73Å; R640-Y655 HydrophobicContact CB-CD1 4.44Å; R640-Y655 HydrophobicContact CB-CE1 4.28Å; R640-Y655 HydrophobicContact CG-CD2 4.28Å; R640-Y655 HydrophobicContact CG-CE1 4.13Å; R640-Y655 HydrophobicContact CG-CE2 3.81Å
641N86.9Confident85.7Confident33 Ų3326.1 Ų26.118%0.17614%0.137CC..Hα-helixtrans-76.3-39.8-178.9-64-14.7000110.7W391 Q457 Y626 E638 M639 V643 N644 D645W391-N641 WeakPolarHBondContact CH2-ND2 3.3Å; Q457-N641 PolarHBondContact OE1-OD1 3Å; Y626-N641 HydrophobicContact CE1-CB 3.72Å; Y626-N641 WeakPolarHBondContact OH-CB 3.48Å; E638-N641 PolarHBondContact O-N 2.84Å; M639-N641 PolarHBondContact O-N 2.73Å; N641-V643 VanDerWaalsContact C-N 3.33Å; N641-V643 PolarHBondContact O-N 3.22Å; N641-N644 PolarHBondContact O-N 2.88Å; N641-D645 WeakPolarHBondContact O-CB 3.22Å; N641-D645 PolarHBondContact O-N 2.83Å
642A90.1Very high85.7Confident0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-60.8-39.4174.800000113.1I622 Y626 I634 E638 M639 A646 F674I622-A642 HydrophobicContact CG2-CB 4.26Å; Y626-A642 HydrophobicContact CD2-CB 3.67Å; Y626-A642 HydrophobicContact CE2-CB 3.9Å; Y626-A642 HydrophobicContact CG-CB 4.1Å; I634-A642 HydrophobicContact CD1-CB 4.34Å; E638-A642 PolarHBondContact O-N 3.11Å; E638-A642 VanDerWaalsContact O-N 3.07Å; M639-A642 PolarHBondContact O-N 3.24Å; A642-A646 WeakPolarHBondContact O-CB 3.46Å; A642-A646 PolarHBondContact O-N 3.44Å; A642-F674 HydrophobicContact CB-CE2 3.76Å; A642-F674 HydrophobicContact CB-CZ 4.03Å
643V89.4Confident85.7Confident1 Ų125.3 Ų25.31%0.00613%0.128CC..Hα-helixtrans-70.7-39.4176.81720000111.3M639 N641 A646 G647 F648 L650 Y655 L678 L681M639-V643 HydrophobicContact CG-CG2 3.9Å; M639-V643 WeakPolarHBondContact O-CB 3.28Å; M639-V643 VanDerWaalsContact O-CG2 3.28Å; M639-V643 WeakPolarHBondContact O-CG2 3.26Å; M639-V643 PolarHBondContact O-N 3.42Å; M639-V643 HydrophobicContact SD-CG2 3.76Å; N641-V643 VanDerWaalsContact C-N 3.33Å; N641-V643 PolarHBondContact O-N 3.22Å; V643-A646 WeakPolarHBondContact O-CB 3.07Å; V643-A646 PolarHBondContact O-N 2.81Å; V643-G647 PolarHBondContact O-N 3.23Å; V643-F648 CarbonylContact C-O 3.52Å; V643-F648 HydrophobicContact CG1-CB 3.73Å; V643-F648 PolarHBondContact O-N 3.13Å; V643-L650 HydrophobicContact CG1-CD1 3.94Å; V643-L650 HydrophobicContact CG1-CG 4.37Å; V643-Y655 HydrophobicContact CB-CE1 4.06Å; V643-Y655 HydrophobicContact CG1-CE1 3.95Å; V643-L678 HydrophobicContact CG2-CD2 4.2Å; V643-L681 HydrophobicContact CG1-CD2 4.19Å
644N87.3Confident85.7Confident34 Ų3427.1 Ų27.118%0.18214%0.136CC..Hα-helixtrans-61.3-46.1172.1-74.5-35.6000111.6R640 N641 A646 G647 F648 Y655R640-N644 VanDerWaalsContact O-CG 3.24Å; R640-N644 PolarHBondContact O-N 3.12Å; R640-N644 VanDerWaalsContact O-N 3.13Å; R640-N644 PolarHBondContact O-ND2 2.65Å; R640-N644 VanDerWaalsContact O-ND2 3.08Å; N641-N644 PolarHBondContact O-N 2.88Å; N644-A646 PolarHBondContact O-N 2.94Å; N644-G647 WeakPolarHBondContact O-CA 3.49Å; N644-G647 PolarHBondContact O-N 3.11Å; N644-F648 WeakPolarHBondContact CA-O 3.47Å; N644-F648 PolarHBondContact N-O 3.34Å; N644-F648 PolarHBondContact OD1-O 2.93Å; N644-Y655 PolarHBondContact OD1-OH 2.81Å
645D88.6Confident85.6Confident90 Ų9027.1 Ų27.148%0.48114%0.136SC..Hα-helixtrans-66.5-25.7177.8-74-3.9000112.4I622 Y626 N641 G647I622-D645 HydrophobicContact CD1-CB 4.48Å; I622-D645 WeakPolarHBondContact CD1-O 3.48Å; I622-D645 HydrophobicContact CG2-CB 4.13Å; Y626-D645 HydrophobicContact CE2-CB 4.47Å; Y626-D645 VanDerWaalsContact CE2-OD2 3.27Å; Y626-D645 WeakPolarHBondContact CE2-OD2 2.94Å; Y626-D645 VanDerWaalsContact CZ-OD2 3.31Å; Y626-D645 PolarHBondContact OH-OD2 3.34Å; N641-D645 WeakPolarHBondContact O-CB 3.22Å; N641-D645 PolarHBondContact O-N 2.83Å; D645-G647 PolarHBondContact O-N 2.99Å
646A88.9Confident85.5Confident13 Ų1324.3 Ų24.311%0.10712%0.121CC..THydrogen-bonded Turntrans-73.9-3.3171.300000113.2I622 A642 V643 N644 F648 L678I622-A646 VanDerWaalsContact CD1-CA 3.48Å; I622-A646 HydrophobicContact CD1-CB 3.89Å; A642-A646 WeakPolarHBondContact O-CB 3.46Å; A642-A646 PolarHBondContact O-N 3.44Å; V643-A646 WeakPolarHBondContact O-CB 3.07Å; V643-A646 PolarHBondContact O-N 2.81Å; N644-A646 PolarHBondContact O-N 2.94Å; A646-F648 HydrophobicContact CB-CD2 4.09Å; A646-F648 HydrophobicContact CB-CE2 4.38Å; A646-L678 HydrophobicContact CB-CD1 3.78Å; A646-L678 HydrophobicContact CB-CD2 3.88Å
647G87.8Confident85.6Confident7 Ų728 Ų287%0.07214%0.139CC..THydrogen-bonded Turntrans96.89177.100000114.1A526 D527 V643 N644 D645A526-G647 CarbonylContact C-O 3.57Å; A526-G647 WeakPolarHBondContact CA-O 3.48Å; D527-G647 PolarHBondContact N-O 3.4Å; V643-G647 PolarHBondContact O-N 3.23Å; N644-G647 WeakPolarHBondContact O-CA 3.49Å; N644-G647 PolarHBondContact O-N 3.11Å; D645-G647 PolarHBondContact O-N 2.99Å
648F89Confident86.1Confident9 Ų928.1 Ų28.14%0.03914%0.141CC..EExtended strand (participates in β ladder)trans-110.7118.3-178.8-57.6-80.7000111.6A526 W619 V643 N644 A646 L650 L678 L681 E682 F685A526-F648 HydrophobicContact CB-CD1 3.7Å; A526-F648 HydrophobicContact CB-CE1 3.88Å; W619-F648 HydrophobicContact CZ2-CE2 4.29Å; V643-F648 CarbonylContact C-O 3.52Å; V643-F648 HydrophobicContact CG1-CB 3.73Å; V643-F648 PolarHBondContact O-N 3.13Å; N644-F648 WeakPolarHBondContact CA-O 3.47Å; N644-F648 PolarHBondContact N-O 3.34Å; N644-F648 PolarHBondContact OD1-O 2.93Å; A646-F648 HydrophobicContact CB-CD2 4.09Å; A646-F648 HydrophobicContact CB-CE2 4.38Å; F648-L650 HydrophobicContact CB-CD2 4.37Å; F648-L650 HydrophobicContact CB-CG 4.45Å; F648-L678 HydrophobicContact CD2-CD2 3.86Å; F648-L678 HydrophobicContact CE2-CD2 3.96Å; F648-L681 HydrophobicContact CB-CD2 3.55Å; F648-L681 HydrophobicContact CD1-CD2 3.6Å; F648-L681 HydrophobicContact CD1-CG 3.76Å; F648-L681 HydrophobicContact CD2-CD2 3.8Å; F648-L681 HydrophobicContact CE1-CB 4.48Å; F648-L681 HydrophobicContact CE1-CD2 4.23Å; F648-L681 HydrophobicContact CE1-CG 4.05Å; F648-L681 HydrophobicContact CE2-CD2 4.39Å; F648-L681 HydrophobicContact CG-CD2 3.36Å; F648-L681 HydrophobicContact CG-CG 4.06Å; F648-E682 HydrophobicContact CE1-CB 4.29Å; F648-E682 HydrophobicContact CZ-CB 3.81Å; F648-E682 HydrophobicContact CZ-CG 4.35Å; F648-F685 AromaticContact CD1-CD2 3.92Å; F648-F685 HydrophobicContact CD1-CD2 3.92Å; F648-F685 AromaticContact CD1-CE2 3.84Å; F648-F685 HydrophobicContact CD1-CE2 3.84Å; F648-F685 HydrophobicContact CE1-CD2 4.04Å; F648-F685 HydrophobicContact CE1-CE2 4.43Å
649R86.4Confident86.3Confident88 Ų8824.3 Ų24.333%0.33212%0.123SC..EExtended strand (participates in β ladder)trans-103112.2175.1-59.5174.6-153.8-153.41.2107.6N522 R523 I524 E525 D527N522-R649 HydrophobicContact CB-CB 4.45Å; R523-R649 WeakPolarHBondContact O-CB 3.5Å; I524-R649 CarbonylContact C-O 3.45Å; I524-R649 VanDerWaalsContact CA-O 3.25Å; I524-R649 WeakPolarHBondContact CA-O 3.26Å; E525-R649 HydrophobicContact CB-CB 4.43Å; E525-R649 PolarHBondContact N-O 3.15Å; E525-R649 PolarHBondContact O-N 2.93Å; D527-R649 IonicContact OD1-CZ 3.67Å; D527-R649 IonicContact OD1-NE 3.57Å; D527-R649 IonicContact OD1-NH2 2.71Å; D527-R649 PolarHBondContact OD1-NH2 2.9Å; D527-R649 IonicContact OD2-NH2 3.18Å
650L86.9Confident86.2Confident0 Ų029.9 Ų29.90%015%0.151CC..  trans-117.7157.7-176.6-48.6177.6000111.1N522 V643 F648 L654 Y655 I658 L681 F685N522-L650 WeakPolarHBondContact CB-O 3.29Å; N522-L650 PolarHBondContact ND2-O 2.61Å; V643-L650 HydrophobicContact CG1-CD1 3.94Å; V643-L650 HydrophobicContact CG1-CG 4.37Å; F648-L650 HydrophobicContact CB-CD2 4.37Å; F648-L650 HydrophobicContact CB-CG 4.45Å; L650-L654 HydrophobicContact CB-CB 3.96Å; L650-L654 HydrophobicContact CB-CD1 4.14Å; L650-L654 HydrophobicContact CD1-CB 4.22Å; L650-L654 HydrophobicContact CD2-CD1 4.03Å; L650-Y655 HydrophobicContact CB-CD2 4.29Å; L650-Y655 HydrophobicContact CB-CE1 4.12Å; L650-Y655 HydrophobicContact CB-CE2 3.89Å; L650-Y655 HydrophobicContact CD1-CD1 4.38Å; L650-Y655 HydrophobicContact CD1-CE1 4.04Å; L650-Y655 HydrophobicContact CG-CE1 4.35Å; L650-Y655 WeakPolarHBondContact O-CE2 3.34Å; L650-I658 HydrophobicContact CD1-CD1 3.4Å; L650-L681 HydrophobicContact CD1-CD1 4.25Å; L650-L681 HydrophobicContact CD1-CD2 3.8Å; L650-L681 HydrophobicContact CD2-CD1 4.08Å; L650-L681 HydrophobicContact CD2-CD2 4.17Å; L650-L681 HydrophobicContact CG-CD2 4.41Å; L650-F685 HydrophobicContact CD2-CE2 3.96Å; L650-F685 HydrophobicContact CD2-CZ 4.06Å
651N82.5Confident86.3Confident14 Ų1437 Ų378%0.07518%0.177CC..  trans-80.1169.3170.173.6-7.3000111.5E521 I524 Q653 L654 Y655E521-N651 HydrophobicContact CB-CB 4.18Å; E521-N651 HydrophobicContact CG-CB 4.29Å; E521-N651 PolarHBondContact OE1-ND2 2.84Å; I524-N651 HydrophobicContact CG1-CB 4.43Å; N651-Q653 PolarHBondContact O-N 2.91Å; N651-L654 PolarHBondContact O-N 3.06Å; N651-L654 WeakPolarHBondContact OD1-CG 3.47Å; N651-L654 PolarHBondContact OD1-N 3.34Å; N651-L654 VanDerWaalsContact OD1-N 3.17Å; N651-Y655 VanDerWaalsContact O-CD2 3.26Å; N651-Y655 WeakPolarHBondContact O-CD2 3.5Å; N651-Y655 PolarHBondContact O-N 3.47Å
652N77.9Confident86.4Confident7 Ų736.7 Ų36.74%0.03717%0.174CC..Hα-helixtrans-56-39.1-178.6-70.1-32000112E519 R640 L654 Y655 D656E519-N652 PolarHBondContact OE1-ND2 2.73Å; R640-N652 VanDerWaalsContact CZ-OD1 3.24Å; R640-N652 PolarHBondContact NH1-OD1 3.41Å; R640-N652 PolarHBondContact NH2-OD1 2.73Å; N652-L654 VanDerWaalsContact C-N 3.29Å; N652-L654 PolarHBondContact O-N 3.06Å; N652-Y655 PolarHBondContact O-N 3.06Å; N652-D656 PolarHBondContact O-N 2.83Å; N652-D656 VanDerWaalsContact O-OD2 3.05Å
653Q79.7Confident86.4Confident47 Ų4737.7 Ų37.722%0.2218%0.182CC..Hα-helixtrans-60.4-39.5-177-58.1-168-6.100113R12 R373 N651 I657R12-Q653 VanDerWaalsContact CZ-CD 3.47Å; R12-Q653 VanDerWaalsContact CZ-OE1 3.28Å; R12-Q653 VanDerWaalsContact NH1-CD 3.35Å; R12-Q653 VanDerWaalsContact NH2-CD 3.34Å; R373-Q653 PolarHBondContact NH2-O 3.22Å; N651-Q653 PolarHBondContact O-N 2.91Å; Q653-I657 WeakPolarHBondContact O-CG1 3.44Å; Q653-I657 PolarHBondContact O-N 3.14Å
654L86.2Confident86.3Confident56 Ų5641.1 Ų41.129%0.29320%0.2SC..Hα-helixtrans-73.5-39.4177.2-71.3172.9000112I524 L650 N651 N652 D656 I657 I658I524-L654 HydrophobicContact CD1-CD1 3.89Å; I524-L654 HydrophobicContact CG1-CD1 4.12Å; I524-L654 HydrophobicContact CG2-CD1 4.24Å; L650-L654 HydrophobicContact CB-CB 3.96Å; L650-L654 HydrophobicContact CB-CD1 4.14Å; L650-L654 HydrophobicContact CD1-CB 4.22Å; L650-L654 HydrophobicContact CD2-CD1 4.03Å; N651-L654 PolarHBondContact O-N 3.06Å; N651-L654 WeakPolarHBondContact OD1-CG 3.47Å; N651-L654 PolarHBondContact OD1-N 3.34Å; N651-L654 VanDerWaalsContact OD1-N 3.17Å; N652-L654 VanDerWaalsContact C-N 3.29Å; N652-L654 PolarHBondContact O-N 3.06Å; L654-D656 VanDerWaalsContact C-N 3.28Å; L654-D656 PolarHBondContact O-N 3.49Å; L654-I657 HydrophobicContact CD2-CD1 4.47Å; L654-I657 WeakPolarHBondContact O-CB 3.39Å; L654-I657 PolarHBondContact O-N 3.35Å; L654-I657 VanDerWaalsContact O-N 3.1Å; L654-I658 WeakPolarHBondContact O-CG1 3.28Å; L654-I658 PolarHBondContact O-N 2.86Å
655Y86.6Confident86.2Confident1 Ų148 Ų480%0.00423%0.232CC..Hα-helixtrans-60.8-37.8174.3-73.2-57000112.8M639 R640 V643 N644 L650 N651 N652 I657 I658 T659M639-Y655 HydrophobicContact SD-CD1 3.9Å; M639-Y655 HydrophobicContact SD-CE1 4.39Å; R640-Y655 HydrophobicContact CB-CD1 4.44Å; R640-Y655 HydrophobicContact CB-CE1 4.28Å; R640-Y655 HydrophobicContact CG-CD2 4.28Å; R640-Y655 HydrophobicContact CG-CE1 4.13Å; R640-Y655 HydrophobicContact CG-CE2 3.81Å; V643-Y655 HydrophobicContact CB-CE1 4.06Å; V643-Y655 HydrophobicContact CG1-CE1 3.95Å; N644-Y655 PolarHBondContact OD1-OH 2.81Å; L650-Y655 HydrophobicContact CB-CD2 4.29Å; L650-Y655 HydrophobicContact CB-CE1 4.12Å; L650-Y655 HydrophobicContact CB-CE2 3.89Å; L650-Y655 HydrophobicContact CD1-CD1 4.38Å; L650-Y655 HydrophobicContact CD1-CE1 4.04Å; L650-Y655 HydrophobicContact CG-CE1 4.35Å; L650-Y655 WeakPolarHBondContact O-CE2 3.34Å; N651-Y655 VanDerWaalsContact O-CD2 3.26Å; N651-Y655 WeakPolarHBondContact O-CD2 3.5Å; N651-Y655 PolarHBondContact O-N 3.47Å; N652-Y655 PolarHBondContact O-N 3.06Å; Y655-I657 VanDerWaalsContact C-N 3.33Å; Y655-I657 PolarHBondContact O-N 2.86Å; Y655-I658 PolarHBondContact O-N 3.25Å; Y655-T659 WeakPolarHBondContact O-CB 3.38Å; Y655-T659 PolarHBondContact O-N 2.99Å; Y655-T659 PolarHBondContact O-OG1 2.94Å
656D82.6Confident86Confident3 Ų349.8 Ų49.82%0.01624%0.241CC..Hα-helixtrans-62.2-42.4173.9-59.6-41.2000111R373 V375 C378 S379 N652 L654 T659 M660R373-D656 IonicContact CZ-OD2 2.66Å; R373-D656 IonicContact NE-OD2 3.88Å; R373-D656 PolarHBondContact NE-OD2 2.91Å; R373-D656 VanDerWaalsContact NH2-CB 3.29Å; R373-D656 IonicContact NH2-OD2 3.88Å; R373-D656 PolarHBondContact NH2-OD2 2.96Å; V375-D656 HydrophobicContact CB-CB 4.49Å; V375-D656 WeakPolarHBondContact CB-OD1 3.49Å; V375-D656 HydrophobicContact CG1-CB 4.42Å; V375-D656 HydrophobicContact CG2-CB 4.08Å; V375-D656 WeakPolarHBondContact CG2-OD1 3.44Å; C378-D656 PolarHBondContact SG-OD1 2.71Å; S379-D656 PolarHBondContact OG-OD1 2.88Å; N652-D656 PolarHBondContact O-N 2.83Å; N652-D656 VanDerWaalsContact O-OD2 3.05Å; L654-D656 VanDerWaalsContact C-N 3.28Å; L654-D656 PolarHBondContact O-N 3.49Å; D656-T659 PolarHBondContact O-N 3.45Å; D656-M660 HydrophobicContact CB-CE 4.37Å; D656-M660 WeakPolarHBondContact O-CB 3.26Å; D656-M660 WeakPolarHBondContact O-CE 3.43Å; D656-M660 VanDerWaalsContact O-CG 3.29Å; D656-M660 WeakPolarHBondContact O-CG 3.11Å; D656-M660 PolarHBondContact O-N 2.88Å
657I85.7Confident85.9Confident78 Ų7851 Ų5140%0.425%0.245SC..Hα-helixtrans-64.2-43.2177.8-67.4166.5000111Q653 L654 Y655 T659 M660 R661Q653-I657 WeakPolarHBondContact O-CG1 3.44Å; Q653-I657 PolarHBondContact O-N 3.14Å; L654-I657 HydrophobicContact CD2-CD1 4.47Å; L654-I657 WeakPolarHBondContact O-CB 3.39Å; L654-I657 PolarHBondContact O-N 3.35Å; L654-I657 VanDerWaalsContact O-N 3.1Å; Y655-I657 VanDerWaalsContact C-N 3.33Å; Y655-I657 PolarHBondContact O-N 2.86Å; I657-T659 VanDerWaalsContact C-N 3.33Å; I657-M660 HydrophobicContact CG1-CE 4.11Å; I657-M660 PolarHBondContact O-N 3.47Å; I657-R661 WeakPolarHBondContact O-CB 3.19Å; I657-R661 PolarHBondContact O-N 3.15Å
658I89.3Confident86Confident13 Ų1352.8 Ų52.87%0.06725%0.253CS..Hα-helixtrans-60.6-47.2176.9-67.5169.9000109.9M639 L650 L654 Y655 M660 R661 Y662 C677M639-I658 HydrophobicContact CE-CB 3.85Å; M639-I658 HydrophobicContact CE-CG2 3.41Å; M639-I658 VanDerWaalsContact CE-CG2 3.41Å; M639-I658 HydrophobicContact CG-CG2 4.41Å; M639-I658 HydrophobicContact SD-CB 4.29Å; M639-I658 HydrophobicContact SD-CG2 3.65Å; L650-I658 HydrophobicContact CD1-CD1 3.4Å; L654-I658 WeakPolarHBondContact O-CG1 3.28Å; L654-I658 PolarHBondContact O-N 2.86Å; Y655-I658 PolarHBondContact O-N 3.25Å; I658-M660 PolarHBondContact O-N 3.37Å; I658-R661 PolarHBondContact O-N 3.39Å; I658-Y662 HydrophobicContact CB-CD2 4.49Å; I658-Y662 HydrophobicContact CG2-CD2 3.97Å; I658-Y662 WeakPolarHBondContact O-CB 3.4Å; I658-Y662 WeakPolarHBondContact O-CD2 3.25Å; I658-Y662 PolarHBondContact O-N 2.62Å; I658-C677 WeakPolarHBondContact CG2-SG 3.37Å
659T86.9Confident86.1Confident4 Ų452.5 Ų52.53%0.02525%0.252CS..Hα-helixtrans-61-48179.1-53.70000111.2C378 M639 Y655 D656 I657 R661 A663 M667C378-T659 HydrophobicContact CB-CG2 4.29Å; M639-T659 WeakPolarHBondContact CE-OG1 3.28Å; Y655-T659 WeakPolarHBondContact O-CB 3.38Å; Y655-T659 PolarHBondContact O-N 2.99Å; Y655-T659 PolarHBondContact O-OG1 2.94Å; D656-T659 PolarHBondContact O-N 3.45Å; I657-T659 VanDerWaalsContact C-N 3.33Å; T659-R661 PolarHBondContact O-N 2.75Å; T659-A663 HydrophobicContact CG2-CB 4.03Å; T659-A663 WeakPolarHBondContact O-CB 3.31Å; T659-A663 PolarHBondContact O-N 2.98Å; T659-M667 HydrophobicContact CG2-SD 4.46Å
660M84.6Confident86.3Confident122 Ų12251.3 Ų51.360%0.60125%0.252SS*.Hα-helixtrans-61.7-28.6179.3-73.8-176.1-67.600113.6D656 I657 I658D656-M660 HydrophobicContact CB-CE 4.37Å; D656-M660 WeakPolarHBondContact O-CB 3.26Å; D656-M660 WeakPolarHBondContact O-CE 3.43Å; D656-M660 VanDerWaalsContact O-CG 3.29Å; D656-M660 WeakPolarHBondContact O-CG 3.11Å; D656-M660 PolarHBondContact O-N 2.88Å; I657-M660 HydrophobicContact CG1-CE 4.11Å; I657-M660 PolarHBondContact O-N 3.47Å; I658-M660 PolarHBondContact O-N 3.37Å
661R88.2Confident86.4Confident157 Ų15751.4 Ų51.459%0.59225%0.252SS*.Hα-helixtrans-93.6-37.4-175.9-176.1169.8-175.4138.31.4113.7I657 I658 T659 R680I657-R661 WeakPolarHBondContact O-CB 3.19Å; I657-R661 PolarHBondContact O-N 3.15Å; I658-R661 PolarHBondContact O-N 3.39Å; T659-R661 PolarHBondContact O-N 2.75Å; R661-R680 VanDerWaalsContact NH2-NH1 3.11Å
662Y90.2Very high86.9Confident27 Ų2751.5 Ų51.511%0.10625%0.253CS..Hα-helixtrans-115.9-12.5-167.2-62.1-77.7000114.1I658 S673 C677 R680I658-Y662 HydrophobicContact CB-CD2 4.49Å; I658-Y662 HydrophobicContact CG2-CD2 3.97Å; I658-Y662 WeakPolarHBondContact O-CB 3.4Å; I658-Y662 WeakPolarHBondContact O-CD2 3.25Å; I658-Y662 PolarHBondContact O-N 2.62Å; Y662-S673 WeakPolarHBondContact CD1-O 3.46Å; Y662-C677 HydrophobicContact CD1-CB 4.05Å; Y662-C677 HydrophobicContact CD2-CB 3.75Å; Y662-C677 HydrophobicContact CE1-CB 4.02Å; Y662-C677 HydrophobicContact CE2-CB 3.71Å; Y662-C677 HydrophobicContact CG-CB 3.92Å; Y662-R680 WeakPolarHBondContact OH-CD 3.12Å; Y662-R680 PolarHBondContact OH-NH1 3.06Å
663A89.7Confident87.5Confident21 Ų2152.7 Ų52.717%0.17426%0.262CS..  trans-85.3142.8173.200000111.1T659 N668 I669T659-A663 HydrophobicContact CG2-CB 4.03Å; T659-A663 WeakPolarHBondContact O-CB 3.31Å; T659-A663 PolarHBondContact O-N 2.98Å; A663-N668 WeakPolarHBondContact CA-O 3.37Å; A663-I669 HydrophobicContact CB-CG1 3.93Å
664N87.8Confident88.1Confident72 Ų7250.6 Ų50.639%0.38525%0.252SS..  trans-80.5-178.5174.968.921.1000112.1N666 M667 N668N664-N666 PolarHBondContact O-N 3.28Å; N664-N666 VanDerWaalsContact O-N 3.09Å; N664-N666 WeakPolarHBondContact OD1-CA 3.23Å; N664-N666 WeakPolarHBondContact OD1-CB 3.44Å; N664-N666 PolarHBondContact OD1-N 3.44Å; N664-M667 WeakPolarHBondContact O-CA 3.41Å; N664-M667 PolarHBondContact O-N 2.94Å; N664-M667 PolarHBondContact OD1-N 2.99Å; N664-N668 PolarHBondContact N-O 3.11Å; N664-N668 PolarHBondContact ND2-O 2.87Å; N664-N668 PolarHBondContact OD1-N 3.43Å; N664-N668 PolarHBondContact OD1-O 3.26Å
665E84.5Confident88.3Confident179 Ų17948 Ų4884%0.83624%0.238SC*.THydrogen-bonded Turntrans-58.4-24.9-179.8-60.3-176.5172.200113.9M667E665-M667 VanDerWaalsContact C-N 3.31Å
666N85.1Confident88.5Confident127 Ų12748.4 Ų48.468%0.67924%0.241SC*.THydrogen-bonded Turntrans-90.67.7177.2-63.2-38.7000112.8N664 N668N664-N666 PolarHBondContact O-N 3.28Å; N664-N666 VanDerWaalsContact O-N 3.09Å; N664-N666 WeakPolarHBondContact OD1-CA 3.23Å; N664-N666 WeakPolarHBondContact OD1-CB 3.44Å; N664-N666 PolarHBondContact OD1-N 3.44Å; N666-N668 PolarHBondContact O-N 3.05Å
667M86.8Confident88.9Confident39 Ų3948.5 Ų48.519%0.19224%0.242CC..SBendtrans63.231.7-179.5-60.3-68.8154.700113.1R376 S636 T659 N664 E665R376-M667 HydrophobicContact CB-CE 4.16Å; R376-M667 HydrophobicContact CB-SD 4.49Å; R376-M667 HydrophobicContact CG-CE 3.78Å; R376-M667 HydrophobicContact CG-CG 4.1Å; R376-M667 HydrophobicContact CG-SD 4.05Å; S636-M667 WeakPolarHBondContact CB-O 3.42Å; S636-M667 PolarHBondContact N-O 2.98Å; S636-M667 WeakPolarHBondContact OG-CB 3.29Å; S636-M667 PolarHBondContact OG-O 3.12Å; T659-M667 HydrophobicContact CG2-SD 4.46Å; N664-M667 WeakPolarHBondContact O-CA 3.41Å; N664-M667 PolarHBondContact O-N 2.94Å; N664-M667 PolarHBondContact OD1-N 2.99Å; E665-M667 VanDerWaalsContact C-N 3.31Å
668N89Confident89.2Confident45 Ų4544.8 Ų44.824%0.24122%0.223CC..EExtended strand (participates in β ladder)trans-113.9147.7176.6-70.5-13.9000110.5S633 I634 A663 N664 N666S633-N668 PolarHBondContact OG-ND2 2.73Å; I634-N668 CarbonylContact O-C 3.56Å; I634-N668 WeakPolarHBondContact O-CA 3.35Å; A663-N668 WeakPolarHBondContact CA-O 3.37Å; N664-N668 PolarHBondContact N-O 3.11Å; N664-N668 PolarHBondContact ND2-O 2.87Å; N664-N668 PolarHBondContact OD1-N 3.43Å; N664-N668 PolarHBondContact OD1-O 3.26Å; N666-N668 PolarHBondContact O-N 3.05Å
669I90.7Very high89.1Confident2 Ų244.5 Ų44.51%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-114.7118.6178.4-56.4176.9000107.5S633 I634 M639 A663 F674S633-I669 CarbonylContact C-O 3.55Å; S633-I669 VanDerWaalsContact CA-O 3.3Å; S633-I669 WeakPolarHBondContact CA-O 3.44Å; I634-I669 PolarHBondContact N-O 2.74Å; I634-I669 PolarHBondContact O-N 3.15Å; M639-I669 HydrophobicContact CB-CD1 3.75Å; M639-I669 HydrophobicContact CE-CD1 4.12Å; M639-I669 HydrophobicContact CG-CD1 3.54Å; A663-I669 HydrophobicContact CB-CG1 3.93Å; I669-F674 HydrophobicContact CG2-CB 4Å
670D90.9Very high89.1Confident63 Ų6345.8 Ų45.834%0.33723%0.226SC..EExtended strand (participates in β ladder)trans-78.1172.2176.265.213.9000111.9D672 S673 F674D670-D672 VanDerWaalsContact C-N 3.33Å; D670-D672 PolarHBondContact O-N 3.01Å; D670-S673 PolarHBondContact O-N 3.11Å; D670-S673 WeakPolarHBondContact OD1-CB 3.22Å; D670-S673 PolarHBondContact OD1-N 2.93Å; D670-S673 PolarHBondContact OD1-OG 3.22Å; D670-F674 WeakPolarHBondContact O-CB 3Å; D670-F674 PolarHBondContact O-N 3.11Å
671F90.6Very high89.3Confident2 Ų241 Ų411%0.00920%0.203CC..Hα-helixtrans-61.2-40.3-176.7-174.4-115.8000113.1I573 L579 T581 F584 Q620 F623 F674 I675I573-F671 HydrophobicContact CD1-CD1 3.87Å; I573-F671 HydrophobicContact CD1-CE1 3.81Å; I573-F671 HydrophobicContact CG1-CE1 4.31Å; L579-F671 HydrophobicContact CD1-CD1 4.2Å; L579-F671 HydrophobicContact CD1-CE1 4.16Å; L579-F671 HydrophobicContact CD1-CG 4.5Å; L579-F671 HydrophobicContact CD1-CZ 4.45Å; L579-F671 HydrophobicContact CD2-CD2 4.35Å; T581-F671 HydrophobicContact CG2-CB 4.5Å; F584-F671 HydrophobicContact CE1-CE1 4.38Å; F584-F671 HydrophobicContact CE2-CE1 4.22Å; F584-F671 HydrophobicContact CZ-CD1 4.21Å; F584-F671 AromaticContact CZ-CE1 3.66Å; F584-F671 HydrophobicContact CZ-CE1 3.66Å; F584-F671 HydrophobicContact CZ-CZ 4.42Å; Q620-F671 HydrophobicContact CB-CE2 4.07Å; Q620-F671 HydrophobicContact CB-CZ 3.93Å; Q620-F671 HydrophobicContact CG-CE2 4.15Å; Q620-F671 HydrophobicContact CG-CZ 3.98Å; F623-F671 HydrophobicContact CB-CD2 3.97Å; F623-F671 HydrophobicContact CB-CE2 4.08Å; F623-F671 AromaticContact CD1-CD2 3.76Å; F623-F671 HydrophobicContact CD1-CD2 3.76Å; F623-F671 AromaticContact CD2-CD2 3.85Å; F623-F671 HydrophobicContact CD2-CD2 3.85Å; F623-F671 HydrophobicContact CE1-CB 4.1Å; F623-F671 HydrophobicContact CE1-CD2 4.18Å; F623-F671 HydrophobicContact CE2-CB 4.16Å; F623-F671 HydrophobicContact CE2-CD2 4.27Å; F623-F671 AromaticContact CG-CD2 3.59Å; F623-F671 HydrophobicContact CG-CD2 3.59Å; F623-F671 HydrophobicContact CG-CE2 4.21Å; F623-F671 HydrophobicContact CZ-CB 3.91Å; F623-F671 HydrophobicContact CZ-CD2 4.42Å; F671-F674 PolarHBondContact O-N 2.84Å; F671-I675 HydrophobicContact CD2-CG1 4.18Å; F671-I675 HydrophobicContact CE1-CG1 4.13Å; F671-I675 HydrophobicContact CE2-CD1 3.8Å; F671-I675 HydrophobicContact CE2-CG1 3.7Å; F671-I675 HydrophobicContact CZ-CD1 3.89Å; F671-I675 HydrophobicContact CZ-CG1 3.68Å; F671-I675 WeakPolarHBondContact O-CG1 3.46Å; F671-I675 PolarHBondContact O-N 3.01Å; F671-I675 VanDerWaalsContact O-N 3.08Å
672D91.4Very high89.2Confident16 Ų1634.6 Ų34.69%0.08618%0.18CC..Hα-helixtrans-61.5-51.7178.6-175.617.4000110.7F584 S585 S588 D670 F674 I675 S676F584-D672 HydrophobicContact CD1-CB 4.41Å; F584-D672 VanDerWaalsContact CD1-OD1 3.26Å; F584-D672 WeakPolarHBondContact CD1-OD1 3.33Å; S585-D672 VanDerWaalsContact CB-OD2 3.31Å; S585-D672 WeakPolarHBondContact CB-OD2 3.39Å; S585-D672 PolarHBondContact N-OD2 2.77Å; S585-D672 PolarHBondContact OG-OD2 3.48Å; S588-D672 WeakPolarHBondContact CB-OD1 3.4Å; S588-D672 PolarHBondContact OG-OD1 3.4Å; S588-D672 PolarHBondContact OG-OD2 2.98Å; D670-D672 VanDerWaalsContact C-N 3.33Å; D670-D672 PolarHBondContact O-N 3.01Å; D672-F674 VanDerWaalsContact C-N 3.33Å; D672-F674 PolarHBondContact O-N 2.78Å; D672-I675 PolarHBondContact O-N 3.37Å; D672-S676 WeakPolarHBondContact O-CB 3.26Å; D672-S676 PolarHBondContact O-N 3.01Å
673S91.3Very high88.8Confident32 Ų3234 Ų3422%0.22418%0.181CC..Hα-helixtrans-64.1-37.2-179.8-56.60000112.3Y662 D670 C677Y662-S673 WeakPolarHBondContact CD1-O 3.46Å; D670-S673 PolarHBondContact O-N 3.11Å; D670-S673 WeakPolarHBondContact OD1-CB 3.22Å; D670-S673 PolarHBondContact OD1-N 2.93Å; D670-S673 PolarHBondContact OD1-OG 3.22Å; S673-C677 VanDerWaalsContact O-CB 3.28Å; S673-C677 WeakPolarHBondContact O-CB 3.47Å; S673-C677 PolarHBondContact O-N 2.96Å
674F91.9Very high88.6Confident4 Ų438 Ų382%0.01820%0.197CC..Hα-helixtrans-62.5-50.2176.4-179.7-107.8000111.9W619 I622 F623 I634 A642 I669 D670 F671 D672 C677 L678W619-F674 HydrophobicContact CB-CE1 4.28Å; I622-F674 HydrophobicContact CG2-CZ 4.3Å; F623-F674 HydrophobicContact CB-CD1 4.06Å; F623-F674 HydrophobicContact CB-CE1 4.02Å; F623-F674 HydrophobicContact CD2-CB 3.91Å; F623-F674 AromaticContact CD2-CD1 3.69Å; F623-F674 HydrophobicContact CD2-CD1 3.69Å; F623-F674 HydrophobicContact CD2-CE1 4.33Å; F623-F674 AromaticContact CD2-CG 3.81Å; F623-F674 HydrophobicContact CD2-CG 3.81Å; F623-F674 HydrophobicContact CE2-CB 4.11Å; F623-F674 HydrophobicContact CE2-CG 4.45Å; F623-F674 HydrophobicContact CG-CD1 4.34Å; I634-F674 HydrophobicContact CD1-CD2 4.22Å; I634-F674 HydrophobicContact CD1-CE2 4.25Å; A642-F674 HydrophobicContact CB-CE2 3.76Å; A642-F674 HydrophobicContact CB-CZ 4.03Å; I669-F674 HydrophobicContact CG2-CB 4Å; D670-F674 WeakPolarHBondContact O-CB 3Å; D670-F674 PolarHBondContact O-N 3.11Å; F671-F674 PolarHBondContact O-N 2.84Å; D672-F674 VanDerWaalsContact C-N 3.33Å; D672-F674 PolarHBondContact O-N 2.78Å; F674-C677 WeakPolarHBondContact O-CB 3.49Å; F674-C677 PolarHBondContact O-N 3.18Å; F674-L678 HydrophobicContact CD1-CD1 4.14Å; F674-L678 HydrophobicContact CE1-CD1 3.55Å; F674-L678 HydrophobicContact CE2-CD1 4.09Å; F674-L678 HydrophobicContact CE2-CG 4.48Å; F674-L678 HydrophobicContact CZ-CD1 3.53Å; F674-L678 HydrophobicContact CZ-CG 4.38Å; F674-L678 WeakPolarHBondContact O-CG 3.49Å; F674-L678 PolarHBondContact O-N 3Å; F674-L678 VanDerWaalsContact O-N 3.11Å
675I91.4Very high88.6Confident0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-66-44.8178.5-62.7-66.2000110.4F584 M592 I616 W619 F671 D672 C677 L678 V679F584-I675 HydrophobicContact CE1-CB 3.86Å; F584-I675 HydrophobicContact CE1-CG1 4.09Å; F584-I675 HydrophobicContact CE1-CG2 3.9Å; F584-I675 HydrophobicContact CZ-CB 4.42Å; F584-I675 HydrophobicContact CZ-CG1 4.24Å; F584-I675 HydrophobicContact CZ-CG2 4.29Å; M592-I675 HydrophobicContact CE-CB 4.38Å; M592-I675 HydrophobicContact CE-CG2 3.51Å; I616-I675 HydrophobicContact CG1-CG2 4.07Å; W619-I675 HydrophobicContact CB-CD1 3.57Å; W619-I675 HydrophobicContact CE3-CD1 4.15Å; F671-I675 HydrophobicContact CD2-CG1 4.18Å; F671-I675 HydrophobicContact CE1-CG1 4.13Å; F671-I675 HydrophobicContact CE2-CD1 3.8Å; F671-I675 HydrophobicContact CE2-CG1 3.7Å; F671-I675 HydrophobicContact CZ-CD1 3.89Å; F671-I675 HydrophobicContact CZ-CG1 3.68Å; F671-I675 WeakPolarHBondContact O-CG1 3.46Å; F671-I675 PolarHBondContact O-N 3.01Å; F671-I675 VanDerWaalsContact O-N 3.08Å; D672-I675 PolarHBondContact O-N 3.37Å; I675-C677 PolarHBondContact O-N 3.05Å; I675-L678 PolarHBondContact O-N 3.49Å; I675-L678 VanDerWaalsContact O-N 3.17Å; I675-V679 HydrophobicContact CG2-CG2 4.02Å; I675-V679 VanDerWaalsContact O-CG2 3.23Å; I675-V679 WeakPolarHBondContact O-CG2 3.45Å; I675-V679 PolarHBondContact O-N 3.02Å
676S89.9Confident88.5Confident10 Ų1031.3 Ų31.37%0.0716%0.16CC..Hα-helixtrans-56.2-41.5177-176.70000111.8D672 R680D672-S676 WeakPolarHBondContact O-CB 3.26Å; D672-S676 PolarHBondContact O-N 3.01Å; S676-R680 WeakPolarHBondContact O-CB 3.28Å; S676-R680 PolarHBondContact O-N 2.96Å; S676-R680 VanDerWaalsContact O-N 3.1Å
677C91.6Very high88.4Confident6 Ų626.7 Ų26.74%0.04114%0.14CC..Hα-helixtrans-60.7-51.1174.9178.40000112.5I658 Y662 S673 F674 I675 R680 L681I658-C677 WeakPolarHBondContact CG2-SG 3.37Å; Y662-C677 HydrophobicContact CD1-CB 4.05Å; Y662-C677 HydrophobicContact CD2-CB 3.75Å; Y662-C677 HydrophobicContact CE1-CB 4.02Å; Y662-C677 HydrophobicContact CE2-CB 3.71Å; Y662-C677 HydrophobicContact CG-CB 3.92Å; S673-C677 VanDerWaalsContact O-CB 3.28Å; S673-C677 WeakPolarHBondContact O-CB 3.47Å; S673-C677 PolarHBondContact O-N 2.96Å; F674-C677 WeakPolarHBondContact O-CB 3.49Å; F674-C677 PolarHBondContact O-N 3.18Å; I675-C677 PolarHBondContact O-N 3.05Å; C677-R680 PolarHBondContact O-N 3.09Å; C677-L681 WeakPolarHBondContact O-CB 3.38Å; C677-L681 PolarHBondContact O-N 2.89Å
678L91.1Very high88.4Confident0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-66.8-38.7-176.6-66.8-178.5000112.6W619 V643 A646 F648 F674 I675 L681 E682W619-L678 HydrophobicContact CB-CD1 3.92Å; W619-L678 HydrophobicContact CD2-CB 3.93Å; W619-L678 HydrophobicContact CD2-CD1 3.63Å; W619-L678 HydrophobicContact CD2-CG 4.46Å; W619-L678 HydrophobicContact CE3-CB 3.94Å; W619-L678 HydrophobicContact CE3-CD1 4.26Å; W619-L678 HydrophobicContact CG-CD1 3.47Å; W619-L678 VanDerWaalsContact CG-CD1 3.47Å; W619-L678 HydrophobicContact CH2-CB 3.92Å; W619-L678 HydrophobicContact CZ2-CB 3.9Å; W619-L678 HydrophobicContact CZ3-CB 3.96Å; V643-L678 HydrophobicContact CG2-CD2 4.2Å; A646-L678 HydrophobicContact CB-CD1 3.78Å; A646-L678 HydrophobicContact CB-CD2 3.88Å; F648-L678 HydrophobicContact CD2-CD2 3.86Å; F648-L678 HydrophobicContact CE2-CD2 3.96Å; F674-L678 HydrophobicContact CD1-CD1 4.14Å; F674-L678 HydrophobicContact CE1-CD1 3.55Å; F674-L678 HydrophobicContact CE2-CD1 4.09Å; F674-L678 HydrophobicContact CE2-CG 4.48Å; F674-L678 HydrophobicContact CZ-CD1 3.53Å; F674-L678 HydrophobicContact CZ-CG 4.38Å; F674-L678 WeakPolarHBondContact O-CG 3.49Å; F674-L678 PolarHBondContact O-N 3Å; F674-L678 VanDerWaalsContact O-N 3.11Å; I675-L678 PolarHBondContact O-N 3.49Å; I675-L678 VanDerWaalsContact O-N 3.17Å; L678-L681 PolarHBondContact O-N 2.99Å; L678-E682 WeakPolarHBondContact O-CB 3.4Å; L678-E682 PolarHBondContact O-N 2.71Å
679V87.6Confident88.3Confident7 Ų730 Ų304%0.04215%0.152CC..Hα-helixtrans-62.2-46.1175.4-178.90000110.3M592 L595 L612 W619 I675 L681 E682 A683M592-V679 HydrophobicContact CG-CG1 4.28Å; M592-V679 HydrophobicContact CG-CG2 4.1Å; L595-V679 HydrophobicContact CB-CG1 3.89Å; L595-V679 HydrophobicContact CD1-CB 4.44Å; L595-V679 HydrophobicContact CD1-CG1 3.78Å; L612-V679 HydrophobicContact CD1-CG2 4.39Å; W619-V679 HydrophobicContact CE3-CG2 4.46Å; W619-V679 HydrophobicContact CH2-CG2 4.19Å; W619-V679 HydrophobicContact CZ3-CB 4.46Å; W619-V679 HydrophobicContact CZ3-CG2 3.51Å; I675-V679 HydrophobicContact CG2-CG2 4.02Å; I675-V679 VanDerWaalsContact O-CG2 3.23Å; I675-V679 WeakPolarHBondContact O-CG2 3.45Å; I675-V679 PolarHBondContact O-N 3.02Å; V679-L681 VanDerWaalsContact C-N 3.35Å; V679-L681 PolarHBondContact O-N 3.22Å; V679-E682 PolarHBondContact O-N 2.9Å; V679-A683 PolarHBondContact O-N 3.46Å; V679-A683 VanDerWaalsContact O-N 3.1Å
680R87.8Confident87.9Confident30 Ų3033 Ų3311%0.11318%0.177CC..Hα-helixtrans-62.3-41.8176.4-175.6171-83.2130.8-8.8112.3S591 L595 R661 Y662 S676 C677 M684 A713S591-R680 PolarHBondContact OG-NH2 2.89Å; L595-R680 VanDerWaalsContact CD1-CA 3.42Å; L595-R680 HydrophobicContact CD1-CB 3.88Å; L595-R680 HydrophobicContact CD1-CG 4.41Å; R661-R680 VanDerWaalsContact NH2-NH1 3.11Å; Y662-R680 WeakPolarHBondContact OH-CD 3.12Å; Y662-R680 PolarHBondContact OH-NH1 3.06Å; S676-R680 WeakPolarHBondContact O-CB 3.28Å; S676-R680 PolarHBondContact O-N 2.96Å; S676-R680 VanDerWaalsContact O-N 3.1Å; C677-R680 PolarHBondContact O-N 3.09Å; R680-M684 HydrophobicContact CG-CE 4.14Å; R680-M684 HydrophobicContact CG-CG 4.41Å; R680-M684 HydrophobicContact CG-SD 4.11Å; R680-M684 WeakPolarHBondContact O-CB 3.37Å; R680-M684 VanDerWaalsContact O-CG 3.28Å; R680-M684 WeakPolarHBondContact O-CG 3.12Å; R680-M684 PolarHBondContact O-N 2.82Å; R680-A713 PolarHBondContact NE-OXT 3.18Å; R680-A713 PolarHBondContact NH2-O 3.27Å; R680-A713 PolarHBondContact NH2-OXT 3.21Å
681L88.8Confident87.7Confident21 Ų2135.1 Ų35.111%0.1118%0.183CC..Hα-helixtrans-64.2-47.2178.7-168.963.4000111.5V643 F648 L650 C677 L678 V679 A683 M684 F685V643-L681 HydrophobicContact CG1-CD2 4.19Å; F648-L681 HydrophobicContact CB-CD2 3.55Å; F648-L681 HydrophobicContact CD1-CD2 3.6Å; F648-L681 HydrophobicContact CD1-CG 3.76Å; F648-L681 HydrophobicContact CD2-CD2 3.8Å; F648-L681 HydrophobicContact CE1-CB 4.48Å; F648-L681 HydrophobicContact CE1-CD2 4.23Å; F648-L681 HydrophobicContact CE1-CG 4.05Å; F648-L681 HydrophobicContact CE2-CD2 4.39Å; F648-L681 HydrophobicContact CG-CD2 3.36Å; F648-L681 HydrophobicContact CG-CG 4.06Å; L650-L681 HydrophobicContact CD1-CD1 4.25Å; L650-L681 HydrophobicContact CD1-CD2 3.8Å; L650-L681 HydrophobicContact CD2-CD1 4.08Å; L650-L681 HydrophobicContact CD2-CD2 4.17Å; L650-L681 HydrophobicContact CG-CD2 4.41Å; C677-L681 WeakPolarHBondContact O-CB 3.38Å; C677-L681 PolarHBondContact O-N 2.89Å; L678-L681 PolarHBondContact O-N 2.99Å; V679-L681 VanDerWaalsContact C-N 3.35Å; V679-L681 PolarHBondContact O-N 3.22Å; L681-A683 VanDerWaalsContact C-N 3.35Å; L681-A683 PolarHBondContact O-N 3.38Å; L681-M684 PolarHBondContact O-N 2.67Å; L681-F685 HydrophobicContact CD1-CD2 4.19Å; L681-F685 HydrophobicContact CD1-CE2 3.85Å; L681-F685 HydrophobicContact CG-CD2 4.09Å; L681-F685 HydrophobicContact CG-CE2 3.97Å; L681-F685 VanDerWaalsContact O-CD2 3.3Å; L681-F685 WeakPolarHBondContact O-CD2 3.33Å; L681-F685 PolarHBondContact O-N 3.16Å
682E85.6Confident87.6Confident23 Ų2336.3 Ų36.311%0.10719%0.19CC..Hα-helixtrans-57.6-47.7178.1-170165.4167.800111.7K615 W619 F648 L678 V679 F685 R686K615-E682 WeakPolarHBondContact CE-OE1 3.33Å; K615-E682 WeakPolarHBondContact CE-OE2 3Å; K615-E682 IonicContact NZ-OE1 3.08Å; K615-E682 PolarHBondContact NZ-OE1 3.14Å; K615-E682 IonicContact NZ-OE2 3.75Å; K615-E682 PolarHBondContact NZ-OE2 3.41Å; W619-E682 WeakPolarHBondContact CH2-OE2 3.36Å; W619-E682 VanDerWaalsContact CZ2-OE2 3.25Å; W619-E682 WeakPolarHBondContact CZ2-OE2 3.35Å; F648-E682 HydrophobicContact CE1-CB 4.29Å; F648-E682 HydrophobicContact CZ-CB 3.81Å; F648-E682 HydrophobicContact CZ-CG 4.35Å; L678-E682 WeakPolarHBondContact O-CB 3.4Å; L678-E682 PolarHBondContact O-N 2.71Å; V679-E682 PolarHBondContact O-N 2.9Å; E682-F685 PolarHBondContact O-N 3.26Å; E682-R686 WeakPolarHBondContact O-CG 3.37Å; E682-R686 PolarHBondContact O-N 3.39Å; E682-R686 IonicContact OE1-CZ 3.32Å; E682-R686 IonicContact OE1-NE 3.28Å; E682-R686 PolarHBondContact OE1-NE 2.95Å; E682-R686 IonicContact OE1-NH2 2.7Å; E682-R686 PolarHBondContact OE1-NH2 3.45Å
683A81Confident87.3Confident15 Ų1544.2 Ų44.212%0.12423%0.226CC..Hα-helixtrans-69.1-36.6-17900000113.1L595 V679 L681 F685 R686 A687L595-A683 HydrophobicContact CB-CB 3.55Å; L595-A683 HydrophobicContact CD1-CB 4.39Å; L595-A683 HydrophobicContact CD2-CB 3.32Å; L595-A683 HydrophobicContact CG-CB 3.89Å; V679-A683 PolarHBondContact O-N 3.46Å; V679-A683 VanDerWaalsContact O-N 3.1Å; L681-A683 VanDerWaalsContact C-N 3.35Å; L681-A683 PolarHBondContact O-N 3.38Å; A683-F685 VanDerWaalsContact C-N 3.35Å; A683-F685 PolarHBondContact O-N 2.88Å; A683-R686 PolarHBondContact O-N 3.32Å; A683-A687 WeakPolarHBondContact O-CB 3.44Å; A683-A687 PolarHBondContact O-N 3.23Å
684M86.7Confident87.1Confident105 Ų10548.5 Ų48.552%0.51725%0.247SC..Hα-helixtrans-60.4-43.2172-77.3-179.2160.900112R680 L681 F688R680-M684 HydrophobicContact CG-CE 4.14Å; R680-M684 HydrophobicContact CG-CG 4.41Å; R680-M684 HydrophobicContact CG-SD 4.11Å; R680-M684 WeakPolarHBondContact O-CB 3.37Å; R680-M684 VanDerWaalsContact O-CG 3.28Å; R680-M684 WeakPolarHBondContact O-CG 3.12Å; R680-M684 PolarHBondContact O-N 2.82Å; L681-M684 PolarHBondContact O-N 2.67Å; M684-F688 WeakPolarHBondContact O-CB 3.49Å; M684-F688 PolarHBondContact O-N 3.04Å
685F86.6Confident86.8Confident31 Ų3151 Ų5114%0.13627%0.274CS..Hα-helixtrans-63-46174.6-88.9-76.4000112.1I524 A526 F648 L650 L681 E682 A683 F688 Q689I524-F685 HydrophobicContact CG2-CE1 3.82Å; I524-F685 HydrophobicContact CG2-CZ 3.56Å; A526-F685 HydrophobicContact CB-CB 4.38Å; A526-F685 HydrophobicContact CB-CD1 3.93Å; A526-F685 HydrophobicContact CB-CD2 3.88Å; A526-F685 HydrophobicContact CB-CE1 4.09Å; A526-F685 HydrophobicContact CB-CE2 4.06Å; A526-F685 HydrophobicContact CB-CG 3.81Å; A526-F685 HydrophobicContact CB-CZ 4.15Å; F648-F685 AromaticContact CD1-CD2 3.92Å; F648-F685 HydrophobicContact CD1-CD2 3.92Å; F648-F685 AromaticContact CD1-CE2 3.84Å; F648-F685 HydrophobicContact CD1-CE2 3.84Å; F648-F685 HydrophobicContact CE1-CD2 4.04Å; F648-F685 HydrophobicContact CE1-CE2 4.43Å; L650-F685 HydrophobicContact CD2-CE2 3.96Å; L650-F685 HydrophobicContact CD2-CZ 4.06Å; L681-F685 HydrophobicContact CD1-CD2 4.19Å; L681-F685 HydrophobicContact CD1-CE2 3.85Å; L681-F685 HydrophobicContact CG-CD2 4.09Å; L681-F685 HydrophobicContact CG-CE2 3.97Å; L681-F685 VanDerWaalsContact O-CD2 3.3Å; L681-F685 WeakPolarHBondContact O-CD2 3.33Å; L681-F685 PolarHBondContact O-N 3.16Å; E682-F685 PolarHBondContact O-N 3.26Å; A683-F685 VanDerWaalsContact C-N 3.35Å; A683-F685 PolarHBondContact O-N 2.88Å; F685-F688 PolarHBondContact O-N 3.07Å; F685-Q689 WeakPolarHBondContact O-CB 3.4Å; F685-Q689 WeakPolarHBondContact O-CG 3.38Å; F685-Q689 PolarHBondContact O-N 3.17Å
686R82.8Confident86.6Confident79 Ų7955.8 Ų55.830%0.29830%0.3SS..Hα-helixtrans-60.8-47.3178.3-73.5175.6178.7-147.5-0.3111.9H611 E682 A683 Q689 A690H611-R686 PolarHBondContact NE2-NH2 3.49Å; E682-R686 WeakPolarHBondContact O-CG 3.37Å; E682-R686 PolarHBondContact O-N 3.39Å; E682-R686 IonicContact OE1-CZ 3.32Å; E682-R686 IonicContact OE1-NE 3.28Å; E682-R686 PolarHBondContact OE1-NE 2.95Å; E682-R686 IonicContact OE1-NH2 2.7Å; E682-R686 PolarHBondContact OE1-NH2 3.45Å; A683-R686 PolarHBondContact O-N 3.32Å; R686-Q689 PolarHBondContact O-N 3.02Å; R686-A690 WeakPolarHBondContact O-CB 3.47Å; R686-A690 PolarHBondContact O-N 3.16Å
687A83.4Confident86.3Confident31 Ų3157.5 Ų57.526%0.25632%0.319SS..Hα-helixtrans-61.9-46.6178.900000110.9A683 Q689 A690 F691 L709A683-A687 WeakPolarHBondContact O-CB 3.44Å; A683-A687 PolarHBondContact O-N 3.23Å; A687-Q689 PolarHBondContact O-N 2.98Å; A687-A690 PolarHBondContact O-N 2.82Å; A687-F691 WeakPolarHBondContact O-CD2 3.47Å; A687-F691 PolarHBondContact O-N 2.78Å; A687-L709 HydrophobicContact CB-CD1 4.12Å
688F87.3Confident86.2Confident76 Ų7661.5 Ų61.533%0.33334%0.343SS..Hα-helixtrans-58.6-48.3177.2-169.6-82.7000111.8M684 F685 A690 F691 D692 G697 I699M684-F688 WeakPolarHBondContact O-CB 3.49Å; M684-F688 PolarHBondContact O-N 3.04Å; F685-F688 PolarHBondContact O-N 3.07Å; F688-A690 VanDerWaalsContact C-N 3.29Å; F688-A690 PolarHBondContact O-N 2.96Å; F688-F691 PolarHBondContact O-N 2.85Å; F688-F691 VanDerWaalsContact O-N 3.13Å; F688-D692 HydrophobicContact CD1-CB 4.1Å; F688-D692 HydrophobicContact CE1-CB 3.9Å; F688-D692 WeakPolarHBondContact O-CB 3.41Å; F688-D692 PolarHBondContact O-N 2.92Å; F688-G697 WeakPolarHBondContact CZ-O 3.37Å; F688-I699 HydrophobicContact CD1-CG2 4.45Å; F688-I699 HydrophobicContact CD2-CD1 3.8Å; F688-I699 HydrophobicContact CD2-CG1 4.18Å; F688-I699 HydrophobicContact CD2-CG2 4.12Å; F688-I699 HydrophobicContact CE1-CG2 4.23Å; F688-I699 HydrophobicContact CE2-CB 4.45Å; F688-I699 HydrophobicContact CE2-CD1 4.02Å; F688-I699 HydrophobicContact CE2-CG1 3.87Å; F688-I699 HydrophobicContact CE2-CG2 3.89Å; F688-I699 HydrophobicContact CG-CG2 4.39Å; F688-I699 HydrophobicContact CZ-CG2 3.95Å
689Q85.8Confident86.1Confident78 Ų7863.7 Ų63.736%0.36436%0.355SS..Hα-helixtrans-64.5-30.5179-71.6166.33.900113.1H528 F685 R686 A687 F691H528-Q689 VanDerWaalsContact NE2-CD 3.27Å; H528-Q689 PolarHBondContact NE2-NE2 3.31Å; H528-Q689 PolarHBondContact NE2-OE1 2.99Å; F685-Q689 WeakPolarHBondContact O-CB 3.4Å; F685-Q689 WeakPolarHBondContact O-CG 3.38Å; F685-Q689 PolarHBondContact O-N 3.17Å; R686-Q689 PolarHBondContact O-N 3.02Å; A687-Q689 PolarHBondContact O-N 2.98Å; Q689-F691 VanDerWaalsContact C-N 3.31Å
690A83.4Confident86.2Confident65 Ų6574.7 Ų74.754%0.53740%0.395SS..Hα-helixtrans-67.5-32.117500000112.5R686 A687 F688R686-A690 WeakPolarHBondContact O-CB 3.47Å; R686-A690 PolarHBondContact O-N 3.16Å; A687-A690 PolarHBondContact O-N 2.82Å; F688-A690 VanDerWaalsContact C-N 3.29Å; F688-A690 PolarHBondContact O-N 2.96Å
691F85.9Confident86.4Confident106 Ų10675.6 Ų75.647%0.46540%0.402SS..Hα-helixtrans-87.3-30.3176.5-75.1-73.2000113.4A687 F688 Q689 Q693 I699 L701 L709A687-F691 WeakPolarHBondContact O-CD2 3.47Å; A687-F691 PolarHBondContact O-N 2.78Å; F688-F691 PolarHBondContact O-N 2.85Å; F688-F691 VanDerWaalsContact O-N 3.13Å; Q689-F691 VanDerWaalsContact C-N 3.31Å; F691-Q693 PolarHBondContact O-N 2.48Å; F691-Q693 VanDerWaalsContact O-N 3.16Å; F691-I699 HydrophobicContact CB-CB 4.15Å; F691-I699 HydrophobicContact CB-CG2 3.66Å; F691-L701 HydrophobicContact CD1-CD2 4.2Å; F691-L701 HydrophobicContact CE1-CD2 4.14Å; F691-L701 HydrophobicContact CG-CD2 4.42Å; F691-L701 HydrophobicContact CZ-CD2 4.33Å; F691-L709 HydrophobicContact CD2-CD1 4.31Å; F691-L709 HydrophobicContact CE2-CD1 3.79Å
692D88.8Confident86.6Confident27 Ų2777.3 Ų77.314%0.14442%0.416CS..  trans-85.868.7179.8-174.717.8000111.9F688 G695 D696 G697 I699F688-D692 HydrophobicContact CD1-CB 4.1Å; F688-D692 HydrophobicContact CE1-CB 3.9Å; F688-D692 WeakPolarHBondContact O-CB 3.41Å; F688-D692 PolarHBondContact O-N 2.92Å; D692-G695 VanDerWaalsContact OD1-CA 3.26Å; D692-G695 WeakPolarHBondContact OD1-CA 3.46Å; D692-G695 PolarHBondContact OD1-N 3.21Å; D692-D696 PolarHBondContact OD1-N 3.48Å; D692-D696 VanDerWaalsContact OD1-N 3.11Å; D692-G697 PolarHBondContact OD1-N 3.45Å; D692-G697 WeakPolarHBondContact OD2-CA 3.33Å; D692-G697 PolarHBondContact OD2-N 2.86Å; D692-I699 HydrophobicContact CB-CG2 4.02Å
693Q85.2Confident86.8Confident182 Ų18281.6 Ų81.685%0.8544%0.443SS*.SBendtrans-74-23.3-175.1-65.4-163.5-3.800114.4F691F691-Q693 PolarHBondContact O-N 2.48Å; F691-Q693 VanDerWaalsContact O-N 3.16Å
694D87.5Confident87.2Confident122 Ų12286.3 Ų86.365%0.65247%0.466SS*.SBendtrans-93.3-11177.457.2-0.3000113D696D694-D696 VanDerWaalsContact C-N 3.28Å; D694-D696 PolarHBondContact O-N 2.97Å
695G84.1Confident87.4Confident58 Ų5885.1 Ų85.160%0.59846%0.459SS*.  trans70.925.9175.500000112.6D692D692-G695 VanDerWaalsContact OD1-CA 3.26Å; D692-G695 WeakPolarHBondContact OD1-CA 3.46Å; D692-G695 PolarHBondContact OD1-N 3.21Å
696D86.9Confident87.5Confident99 Ų9990.3 Ų90.353%0.52948%0.478SS..SBendtrans-80.6-7.7179.287.6-7.1000112.4D692 D694 T698D692-D696 PolarHBondContact OD1-N 3.48Å; D692-D696 VanDerWaalsContact OD1-N 3.11Å; D694-D696 VanDerWaalsContact C-N 3.28Å; D694-D696 PolarHBondContact O-N 2.97Å; D696-T698 WeakPolarHBondContact OD1-CA 3.47Å; D696-T698 VanDerWaalsContact OD1-CB 3.27Å; D696-T698 WeakPolarHBondContact OD1-CB 3.2Å; D696-T698 PolarHBondContact OD1-N 3Å
697G84.8Confident87.7Confident47 Ų4790.7 Ų90.749%0.48549%0.485SS..SBendtrans79.518179.300000113.8F688 D692F688-G697 WeakPolarHBondContact CZ-O 3.37Å; D692-G697 PolarHBondContact OD1-N 3.45Å; D692-G697 WeakPolarHBondContact OD2-CA 3.33Å; D692-G697 PolarHBondContact OD2-N 2.86Å
698T88.3Confident87.8Confident89 Ų8994.8 Ų94.855%0.54650%0.499SS..  trans-134.5127.3-179.1-51.20000111.7D696D696-T698 WeakPolarHBondContact OD1-CA 3.47Å; D696-T698 VanDerWaalsContact OD1-CB 3.27Å; D696-T698 WeakPolarHBondContact OD1-CB 3.2Å; D696-T698 PolarHBondContact OD1-N 3Å
699I90.4Very high87.6Confident46 Ų4693.7 Ų93.724%0.23650%0.496CS..  trans-108.9148172.566.7174.1000111.1F688 F691 D692 L701F688-I699 HydrophobicContact CD1-CG2 4.45Å; F688-I699 HydrophobicContact CD2-CD1 3.8Å; F688-I699 HydrophobicContact CD2-CG1 4.18Å; F688-I699 HydrophobicContact CD2-CG2 4.12Å; F688-I699 HydrophobicContact CE1-CG2 4.23Å; F688-I699 HydrophobicContact CE2-CB 4.45Å; F688-I699 HydrophobicContact CE2-CD1 4.02Å; F688-I699 HydrophobicContact CE2-CG1 3.87Å; F688-I699 HydrophobicContact CE2-CG2 3.89Å; F688-I699 HydrophobicContact CG-CG2 4.39Å; F688-I699 HydrophobicContact CZ-CG2 3.95Å; F691-I699 HydrophobicContact CB-CB 4.15Å; F691-I699 HydrophobicContact CB-CG2 3.66Å; D692-I699 HydrophobicContact CB-CG2 4.02Å; I699-L701 HydrophobicContact CD1-CD1 3.8Å; I699-L701 HydrophobicContact CD1-CG 4.16Å; I699-L701 HydrophobicContact CG1-CD1 4.47Å; I699-L701 HydrophobicContact CG1-CG 4.42Å
700R89.7Confident87.5Confident239 Ų23992.5 Ų92.590%0.90250%0.495SS*.  trans-114.3121.2173.4-68.2-176.9-177.51723.6109.4
701L91.1Very high87.3Confident49 Ų4996.8 Ų96.826%0.25751%0.505SS..  trans-125.9139.8179.8-58.7174.9000109.7F691 I699 E705 W706F691-L701 HydrophobicContact CD1-CD2 4.2Å; F691-L701 HydrophobicContact CE1-CD2 4.14Å; F691-L701 HydrophobicContact CG-CD2 4.42Å; F691-L701 HydrophobicContact CZ-CD2 4.33Å; I699-L701 HydrophobicContact CD1-CD1 3.8Å; I699-L701 HydrophobicContact CD1-CG 4.16Å; I699-L701 HydrophobicContact CG1-CD1 4.47Å; I699-L701 HydrophobicContact CG1-CG 4.42Å; L701-E705 HydrophobicContact CB-CB 4.18Å; L701-E705 HydrophobicContact CD2-CB 4.07Å; L701-W706 HydrophobicContact CB-CB 4.45Å; L701-W706 HydrophobicContact CD1-CE3 4.15Å
702S93.1Very high86.6Confident57 Ų5796.7 Ų96.740%0.39950%0.503SS..  trans-70.4166.3162.968.10000110.8L704 E705 W706S702-L704 PolarHBondContact O-N 2.83Å; S702-E705 VanDerWaalsContact CB-OE2 3.24Å; S702-E705 WeakPolarHBondContact CB-OE2 3.41Å; S702-E705 PolarHBondContact N-OE2 3.28Å; S702-E705 PolarHBondContact O-N 3.18Å; S702-E705 VanDerWaalsContact OG-CD 3.29Å; S702-E705 WeakPolarHBondContact OG-CG 3.43Å; S702-E705 PolarHBondContact OG-N 3.28Å; S702-E705 PolarHBondContact OG-OE2 3.36Å; S702-W706 WeakPolarHBondContact O-CB 3.45Å; S702-W706 PolarHBondContact O-N 3.4Å
703V89.7Confident85.4Confident112 Ų11297 Ų9768%0.67951%0.509SS*.Hα-helixtrans-57.7-38.5175.8176.50000111.2L707V703-L707 HydrophobicContact CG1-CD1 3.86Å; V703-L707 HydrophobicContact CG1-CG 4.33Å; V703-L707 WeakPolarHBondContact O-CB 2.99Å; V703-L707 WeakPolarHBondContact O-CG 3.31Å; V703-L707 PolarHBondContact O-N 3.2Å
704L90.4Very high85.4Confident114 Ų11492.7 Ų92.760%0.59749%0.492SS*.Hα-helixtrans-65.4-49.5178.7178.761.8000111.3S702 W706 L707 Q708S702-L704 PolarHBondContact O-N 2.83Å; L704-W706 VanDerWaalsContact C-N 3.35Å; L704-W706 PolarHBondContact O-N 3.08Å; L704-L707 PolarHBondContact O-N 2.93Å; L704-Q708 HydrophobicContact CD1-CG 4.26Å; L704-Q708 WeakPolarHBondContact O-CB 3.44Å; L704-Q708 WeakPolarHBondContact O-CG 3Å; L704-Q708 PolarHBondContact O-N 3.46Å
705E89.3Confident85.3Confident81 Ų8191.2 Ų91.238%0.37948%0.483SS..Hα-helixtrans-63.2-41.6179.8-68.6158.3146.600111.4L701 S702 Q708 L709L701-E705 HydrophobicContact CB-CB 4.18Å; L701-E705 HydrophobicContact CD2-CB 4.07Å; S702-E705 VanDerWaalsContact CB-OE2 3.24Å; S702-E705 WeakPolarHBondContact CB-OE2 3.41Å; S702-E705 PolarHBondContact N-OE2 3.28Å; S702-E705 PolarHBondContact O-N 3.18Å; S702-E705 VanDerWaalsContact OG-CD 3.29Å; S702-E705 WeakPolarHBondContact OG-CG 3.43Å; S702-E705 PolarHBondContact OG-N 3.28Å; S702-E705 PolarHBondContact OG-OE2 3.36Å; E705-Q708 PolarHBondContact O-N 3.31Å; E705-L709 WeakPolarHBondContact O-CB 3.32Å; E705-L709 PolarHBondContact O-N 3.18Å
706W88.9Confident85.3Confident140 Ų14093 Ų9353%0.5348%0.477SS..Hα-helixtrans-59.4-46.7173.9171.8-104.4000112L701 S702 L704 L709 T710L701-W706 HydrophobicContact CB-CB 4.45Å; L701-W706 HydrophobicContact CD1-CE3 4.15Å; S702-W706 WeakPolarHBondContact O-CB 3.45Å; S702-W706 PolarHBondContact O-N 3.4Å; L704-W706 VanDerWaalsContact C-N 3.35Å; L704-W706 PolarHBondContact O-N 3.08Å; W706-L709 PolarHBondContact O-N 2.7Å; W706-T710 HydrophobicContact CD2-CG2 3.85Å; W706-T710 HydrophobicContact CE3-CG2 3.94Å; W706-T710 HydrophobicContact CH2-CG2 3.69Å; W706-T710 HydrophobicContact CZ2-CG2 3.59Å; W706-T710 HydrophobicContact CZ3-CG2 3.86Å; W706-T710 WeakPolarHBondContact O-CB 3.45Å; W706-T710 WeakPolarHBondContact O-CG2 3.29Å; W706-T710 PolarHBondContact O-N 2.84Å; W706-T710 PolarHBondContact O-OG1 3.04Å
707L88.8Confident85.2Confident87 Ų8792.6 Ų92.646%0.45547%0.474SS..Hα-helixtrans-67.1-39.8179-71.8174.5000111.9V703 L704 M711V703-L707 HydrophobicContact CG1-CD1 3.86Å; V703-L707 HydrophobicContact CG1-CG 4.33Å; V703-L707 WeakPolarHBondContact O-CB 2.99Å; V703-L707 WeakPolarHBondContact O-CG 3.31Å; V703-L707 PolarHBondContact O-N 3.2Å; L704-L707 PolarHBondContact O-N 2.93Å; L707-M711 WeakPolarHBondContact O-CB 2.83Å; L707-M711 WeakPolarHBondContact O-CG 3.47Å; L707-M711 PolarHBondContact O-N 2.91Å
708Q84.2Confident85.3Confident116 Ų11695.5 Ų95.554%0.54247%0.473SS..Hα-helixtrans-61.1-48.4175.4-75.7175-40.900111.1L704 E705 T710 Y712L704-Q708 HydrophobicContact CD1-CG 4.26Å; L704-Q708 WeakPolarHBondContact O-CB 3.44Å; L704-Q708 WeakPolarHBondContact O-CG 3Å; L704-Q708 PolarHBondContact O-N 3.46Å; E705-Q708 PolarHBondContact O-N 3.31Å; Q708-T710 PolarHBondContact O-N 3.33Å; Q708-Y712 VanDerWaalsContact O-CB 3.25Å; Q708-Y712 WeakPolarHBondContact O-CB 3.49Å; Q708-Y712 PolarHBondContact O-N 3.09Å
709L83.1Confident85.1Confident53 Ų5395.9 Ų95.928%0.27747%0.468SS..Hα-helixtrans-65.9-38-179-172.6139.6000112.4A687 F691 E705 W706 A713A687-L709 HydrophobicContact CB-CD1 4.12Å; F691-L709 HydrophobicContact CD2-CD1 4.31Å; F691-L709 HydrophobicContact CE2-CD1 3.79Å; E705-L709 WeakPolarHBondContact O-CB 3.32Å; E705-L709 PolarHBondContact O-N 3.18Å; W706-L709 PolarHBondContact O-N 2.7Å; L709-A713 WeakPolarHBondContact O-CB 3.23Å
710T83.4Confident84.7Confident54 Ų5499.5 Ų99.533%0.33149%0.485SS..Hα-helixtrans-86.4-28.4-17753.40000114.8W706 Q708W706-T710 HydrophobicContact CD2-CG2 3.85Å; W706-T710 HydrophobicContact CE3-CG2 3.94Å; W706-T710 HydrophobicContact CH2-CG2 3.69Å; W706-T710 HydrophobicContact CZ2-CG2 3.59Å; W706-T710 HydrophobicContact CZ3-CG2 3.86Å; W706-T710 WeakPolarHBondContact O-CB 3.45Å; W706-T710 WeakPolarHBondContact O-CG2 3.29Å; W706-T710 PolarHBondContact O-N 2.84Å; W706-T710 PolarHBondContact O-OG1 3.04Å; Q708-T710 PolarHBondContact O-N 3.33Å
711M79.8Confident84.3Confident154 Ų15488.8 Ų88.876%0.75945%0.453SS*.Hα-helixtrans-80.9-29.5177.3-72.2-67.6-5700112.7L707L707-M711 WeakPolarHBondContact O-CB 2.83Å; L707-M711 WeakPolarHBondContact O-CG 3.47Å; L707-M711 PolarHBondContact O-N 2.91Å
712Y71.9Confident83.7Confident104 Ų10492.1 Ų92.141%0.40847%0.469SS..Hα-helixtrans-80.9-23177.6-154.5-114.5000112.3A594 D597 G602 Q708A594-Y712 HydrophobicContact CB-CD1 4.18Å; A594-Y712 HydrophobicContact CB-CE1 4.12Å; A594-Y712 WeakPolarHBondContact CB-O 3.13Å; D597-Y712 PolarHBondContact OD2-OH 3.14Å; G602-Y712 WeakPolarHBondContact CA-OH 3.38Å; G602-Y712 PolarHBondContact N-OH 3.44Å; Q708-Y712 VanDerWaalsContact O-CB 3.25Å; Q708-Y712 WeakPolarHBondContact O-CB 3.49Å; Q708-Y712 PolarHBondContact O-N 3.09Å
713A62.2Low82.9Confident33 Ų3395.3 Ų95.327%0.27348%0.475SS..  trans-90.90-171.700000117.6L595 R680 L709L595-A713 HydrophobicContact CD2-CB 3.89Å; R680-A713 PolarHBondContact NE-OXT 3.18Å; R680-A713 PolarHBondContact NH2-O 3.27Å; R680-A713 PolarHBondContact NH2-OXT 3.21Å; L709-A713 WeakPolarHBondContact O-CB 3.23Å

Retrieved 713 of 713 residues in 2691.1 ms (Link to these results)

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