A0A077Z9S8_TRITR Loading...

Transcriptional regulator

AlphaFold DB , UniProt , Accession A0A077Z9S8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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
1M81.3Confident92.3Very high179 Ų179114.7 Ų114.788%0.88257%0.571SS**  0-67.30-157.3-178.574.100113.1R5M1-R5 VanDerWaalsContact O-CB 3.25Å; M1-R5 WeakPolarHBondContact O-CB 3.48Å; M1-R5 PolarHBondContact O-N 3.38Å
2V89.9Confident92.5Very high70 Ų70111.2 Ų111.242%0.42455%0.552SS.*Hα-helixtrans-64.1-55.7-177.6179.70000111.8E4 R5 V6 I23V2-E4 VanDerWaalsContact C-N 3.31Å; V2-E4 PolarHBondContact O-N 2.95Å; V2-R5 PolarHBondContact O-N 3.27Å; V2-V6 WeakPolarHBondContact O-CG2 3.47Å; V2-V6 PolarHBondContact O-N 3.3Å; V2-V6 VanDerWaalsContact O-N 3.14Å; V2-I23 HydrophobicContact CB-CD1 4.43Å; V2-I23 HydrophobicContact CG1-CD1 3.89Å; V2-I23 HydrophobicContact CG2-CD1 4.46Å
3A92.1Very high92.6Very high9 Ų9104.1 Ų104.17%0.07452%0.517CS..Hα-helixtrans-52.3-47179.100000112.9R5 V6 D7 Y8 L10 L13A3-R5 PolarHBondContact O-N 3.4Å; A3-V6 WeakPolarHBondContact O-CG2 3.46Å; A3-V6 PolarHBondContact O-N 3.23Å; A3-D7 PolarHBondContact O-N 3.48Å; A3-D7 VanDerWaalsContact O-N 3.14Å; A3-Y8 WeakPolarHBondContact CB-O 3.19Å; A3-Y8 PolarHBondContact O-N 3.3Å; A3-L10 HydrophobicContact CB-CB 4.16Å; A3-L10 HydrophobicContact CB-CD1 3.98Å; A3-L13 HydrophobicContact CB-CD1 4.18Å
4E92.9Very high92.8Very high160 Ų160106.9 Ų106.975%0.74852%0.518SS*.Hα-helixtrans-61.2-41.5175.2-176.9-176.3-17300112.9V2 V6 D7V2-E4 VanDerWaalsContact C-N 3.31Å; V2-E4 PolarHBondContact O-N 2.95Å; E4-V6 VanDerWaalsContact C-N 3.28Å; E4-V6 PolarHBondContact O-N 3.44Å; E4-D7 PolarHBondContact O-N 3.19Å
5R93.9Very high93Very high221 Ų221113 Ų11383%0.83453%0.534SS*.Hα-helixtrans-70.5-24-178.1-173.5163.4179.8117-1.2113.4M1 V2 A3M1-R5 VanDerWaalsContact O-CB 3.25Å; M1-R5 WeakPolarHBondContact O-CB 3.48Å; M1-R5 PolarHBondContact O-N 3.38Å; V2-R5 PolarHBondContact O-N 3.27Å; A3-R5 PolarHBondContact O-N 3.4Å
6V93.8Very high93.1Very high91 Ų91114.8 Ų114.855%0.55254%0.539SS*.THydrogen-bonded Turntrans-102.58.7175.7-61.20000112.7V2 A3 E4 Y8 L13V2-V6 WeakPolarHBondContact O-CG2 3.47Å; V2-V6 PolarHBondContact O-N 3.3Å; V2-V6 VanDerWaalsContact O-N 3.14Å; A3-V6 WeakPolarHBondContact O-CG2 3.46Å; A3-V6 PolarHBondContact O-N 3.23Å; E4-V6 VanDerWaalsContact C-N 3.28Å; E4-V6 PolarHBondContact O-N 3.44Å; V6-Y8 VanDerWaalsContact C-N 3.31Å; V6-Y8 PolarHBondContact O-N 3.01Å; V6-L13 HydrophobicContact CG2-CD1 4.48Å
7D94.5Very high93.3Very high155 Ų155112.4 Ų112.483%0.82952%0.524SS*.THydrogen-bonded Turntrans48.650.1-177.2-16430.4000112.9A3 E4A3-D7 PolarHBondContact O-N 3.48Å; A3-D7 VanDerWaalsContact O-N 3.14Å; E4-D7 PolarHBondContact O-N 3.19Å
8Y93.3Very high93.5Very high99 Ų99110.5 Ų110.539%0.38852%0.523SS..  trans-127.8139.9-176.1-159.9-104000111.7A3 V6 L10 E12 L13A3-Y8 WeakPolarHBondContact CB-O 3.19Å; A3-Y8 PolarHBondContact O-N 3.3Å; V6-Y8 VanDerWaalsContact C-N 3.31Å; V6-Y8 PolarHBondContact O-N 3.01Å; Y8-L10 PolarHBondContact O-N 3.32Å; Y8-E12 HydrophobicContact CD1-CB 4.32Å; Y8-E12 HydrophobicContact CE1-CB 3.5Å; Y8-E12 VanDerWaalsContact CE1-CB 3.5Å; Y8-E12 PolarHBondContact OH-OE2 3.39Å; Y8-L13 HydrophobicContact CD1-CB 4.14Å; Y8-L13 HydrophobicContact CD1-CD1 4.38Å
9P95.2Very high93.5Very high66 Ų66109.3 Ų109.343%0.42952%0.52SS..  trans-59.2128.7-179.7-23.633.6000112.3D11 E12 L13P9-D11 VanDerWaalsContact C-N 3.25Å; P9-D11 PolarHBondContact O-N 2.99Å; P9-E12 HydrophobicContact CB-CB 4.24Å; P9-E12 HydrophobicContact CB-CG 4.07Å; P9-E12 HydrophobicContact CG-CG 4.44Å; P9-E12 PolarHBondContact O-N 3.11Å; P9-L13 PolarHBondContact O-N 2.92Å
10L93.5Very high93.5Very high92 Ų92113.2 Ų113.248%0.48254%0.535SS..Hα-helixtrans-59.3-39-178.8178.761.7000111.8A3 Y8 E12 L13 R14A3-L10 HydrophobicContact CB-CB 4.16Å; A3-L10 HydrophobicContact CB-CD1 3.98Å; Y8-L10 PolarHBondContact O-N 3.32Å; L10-E12 VanDerWaalsContact C-N 3.29Å; L10-E12 PolarHBondContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.06Å; L10-R14 HydrophobicContact CD1-CG 4.11Å; L10-R14 HydrophobicContact CG-CG 4.32Å; L10-R14 WeakPolarHBondContact O-CB 3.38Å; L10-R14 VanDerWaalsContact O-CG 3.29Å; L10-R14 WeakPolarHBondContact O-CG 3.48Å; L10-R14 PolarHBondContact O-N 3.41Å
11D94.9Very high93.6Very high120 Ų120111.3 Ų111.364%0.64253%0.526SS*.Hα-helixtrans-67.2-33.5-177.2-51.4-29.5000111.8P9P9-D11 VanDerWaalsContact C-N 3.25Å; P9-D11 PolarHBondContact O-N 2.99Å
12E95.1Very high94.4Very high72 Ų72104.1 Ų104.134%0.33650%0.495SS..Hα-helixtrans-72.9-43172.9-66.7-168.6-178.800111.1Y8 P9 L10 R14 R15 F16Y8-E12 HydrophobicContact CD1-CB 4.32Å; Y8-E12 HydrophobicContact CE1-CB 3.5Å; Y8-E12 VanDerWaalsContact CE1-CB 3.5Å; Y8-E12 PolarHBondContact OH-OE2 3.39Å; P9-E12 HydrophobicContact CB-CB 4.24Å; P9-E12 HydrophobicContact CB-CG 4.07Å; P9-E12 HydrophobicContact CG-CG 4.44Å; P9-E12 PolarHBondContact O-N 3.11Å; L10-E12 VanDerWaalsContact C-N 3.29Å; L10-E12 PolarHBondContact O-N 3.08Å; E12-R14 VanDerWaalsContact C-N 3.26Å; E12-R14 PolarHBondContact O-N 3.49Å; E12-R15 VanDerWaalsContact O-CB 3.28Å; E12-R15 WeakPolarHBondContact O-CB 3.46Å; E12-R15 PolarHBondContact O-N 3.44Å; E12-F16 WeakPolarHBondContact O-CD2 3.46Å
13L94Very high94.7Very high19 Ų19102.8 Ų102.810%0.09949%0.485CS..Hα-helixtrans-60.2-37.9177.5-163.4138.1000111.9A3 V6 Y8 P9 L10 R15 F16 W17 I23A3-L13 HydrophobicContact CB-CD1 4.18Å; V6-L13 HydrophobicContact CG2-CD1 4.48Å; Y8-L13 HydrophobicContact CD1-CB 4.14Å; Y8-L13 HydrophobicContact CD1-CD1 4.38Å; P9-L13 PolarHBondContact O-N 2.92Å; L10-L13 PolarHBondContact O-N 3.06Å; L13-R15 PolarHBondContact O-N 3.38Å; L13-F16 PolarHBondContact O-N 3.11Å; L13-F16 VanDerWaalsContact O-N 3.08Å; L13-W17 HydrophobicContact CD2-CE3 3.92Å; L13-W17 HydrophobicContact CG-CE3 3.92Å; L13-W17 HydrophobicContact CG-CZ3 4.12Å; L13-W17 PolarHBondContact O-N 3.5Å; L13-I23 HydrophobicContact CD2-CD1 4.31Å
14R95.1Very high94.8Very high143 Ų143105.2 Ų105.254%0.5450%0.496SS..Hα-helixtrans-67.2-16177.4-73.1177.997.5170.16.6114.2L10 E12 F16 W17 P18L10-R14 HydrophobicContact CD1-CG 4.11Å; L10-R14 HydrophobicContact CG-CG 4.32Å; L10-R14 WeakPolarHBondContact O-CB 3.38Å; L10-R14 VanDerWaalsContact O-CG 3.29Å; L10-R14 WeakPolarHBondContact O-CG 3.48Å; L10-R14 PolarHBondContact O-N 3.41Å; E12-R14 VanDerWaalsContact C-N 3.26Å; E12-R14 PolarHBondContact O-N 3.49Å; R14-F16 VanDerWaalsContact C-N 3.25Å; R14-W17 WeakPolarHBondContact CA-O 3.11Å; R14-W17 CarbonylContact O-C 3.58Å; R14-P18 WeakPolarHBondContact O-CA 3.34Å
15R95.7Very high95.1Very high199 Ų199101.6 Ų101.675%0.75148%0.477SS*.Hα-helixtrans-68.9-27.6171.4-60.6178.2-178.6174.81.2112E12 L13E12-R15 VanDerWaalsContact O-CB 3.28Å; E12-R15 WeakPolarHBondContact O-CB 3.46Å; E12-R15 PolarHBondContact O-N 3.44Å; L13-R15 PolarHBondContact O-N 3.38Å
16F95Very high95.2Very high142 Ų14293 Ų9362%0.62345%0.447SS*.Hα-helixtrans-94.7-43.3178.2-59-81.9000111.7E12 L13 R14E12-F16 WeakPolarHBondContact O-CD2 3.46Å; L13-F16 PolarHBondContact O-N 3.11Å; L13-F16 VanDerWaalsContact O-N 3.08Å; R14-F16 VanDerWaalsContact C-N 3.25Å
17W96.7Very high95.4Very high74 Ų7491.4 Ų91.428%0.2844%0.444SS..  trans-126.397.2178.7-56.2-74000110.3L13 R14 D19 A22 I23 D26L13-W17 HydrophobicContact CD2-CE3 3.92Å; L13-W17 HydrophobicContact CG-CE3 3.92Å; L13-W17 HydrophobicContact CG-CZ3 4.12Å; L13-W17 PolarHBondContact O-N 3.5Å; R14-W17 WeakPolarHBondContact CA-O 3.11Å; R14-W17 CarbonylContact O-C 3.58Å; W17-D19 PolarHBondContact O-N 3.4Å; W17-D19 VanDerWaalsContact O-N 3.17Å; W17-A22 HydrophobicContact CB-CB 4.12Å; W17-I23 HydrophobicContact CB-CB 3.77Å; W17-I23 VanDerWaalsContact CD1-CA 3.46Å; W17-I23 HydrophobicContact CD2-CB 4.19Å; W17-I23 HydrophobicContact CD2-CD1 4.29Å; W17-I23 HydrophobicContact CD2-CG1 4.04Å; W17-I23 HydrophobicContact CE3-CD1 4.2Å; W17-I23 HydrophobicContact CE3-CG1 4.45Å; W17-I23 HydrophobicContact CG-CB 3.68Å; W17-I23 HydrophobicContact CG-CG1 4.08Å; W17-D26 VanDerWaalsContact NE1-CB 3.32Å; W17-D26 PolarHBondContact NE1-OD2 3.36Å
18P95.4Very high95.5Very high78 Ų7884.4 Ų84.451%0.50641%0.406SS..SBendtrans-61.5-28.8-172.121.9-33.3000113.5R14 A22R14-P18 WeakPolarHBondContact O-CA 3.34Å; P18-A22 HydrophobicContact CG-CB 4.2Å
19D94.8Very high95.8Very high88 Ų8884.1 Ų84.147%0.47140%0.404SS..SBendtrans-142.9-177-179.760.646000112.6W17 E21 A22 I23W17-D19 PolarHBondContact O-N 3.4Å; W17-D19 VanDerWaalsContact O-N 3.17Å; D19-E21 VanDerWaalsContact C-N 3.32Å; D19-E21 WeakPolarHBondContact OD1-CA 3.43Å; D19-E21 WeakPolarHBondContact OD1-CB 3.21Å; D19-E21 PolarHBondContact OD1-N 2.94Å; D19-A22 PolarHBondContact OD1-N 3.23Å; D19-I23 PolarHBondContact O-N 2.97Å
20K93.2Very high95.9Very high186 Ų18687.5 Ų87.581%0.80941%0.409SS*.Hα-helixtrans-70.8-28-178.8-63.6-179.8-176.5175.20112.8I23 L24K20-I23 VanDerWaalsContact O-CG2 3.27Å; K20-I23 WeakPolarHBondContact O-CG2 3.3Å; K20-L24 VanDerWaalsContact O-CB 3.32Å; K20-L24 WeakPolarHBondContact O-CB 3.48Å; K20-L24 PolarHBondContact O-N 3.21Å; K20-L24 VanDerWaalsContact O-N 3.17Å
21E96.4Very high96Very high74 Ų7485.4 Ų85.435%0.34640%0.398SS..Hα-helixtrans-72.8-43.8-180-172.3-176.6126.400109.8D19 I23 L24 Y25 Y82 H87 I89D19-E21 VanDerWaalsContact C-N 3.32Å; D19-E21 WeakPolarHBondContact OD1-CA 3.43Å; D19-E21 WeakPolarHBondContact OD1-CB 3.21Å; D19-E21 PolarHBondContact OD1-N 2.94Å; E21-I23 PolarHBondContact O-N 3.44Å; E21-L24 PolarHBondContact O-N 2.87Å; E21-L24 VanDerWaalsContact O-N 3.14Å; E21-Y25 WeakPolarHBondContact O-CB 3.48Å; E21-Y25 PolarHBondContact O-N 3.39Å; E21-Y82 HydrophobicContact CG-CE1 3.97Å; E21-H87 IonicContact OE1-CE1 2.7Å; E21-H87 PolarHBondContact OE1-CE1 3.3Å; E21-H87 IonicContact OE1-NE2 2.88Å; E21-H87 PolarHBondContact OE1-NE2 3.32Å; E21-H87 IonicContact OE2-CE1 2.7Å; E21-H87 IonicContact OE2-NE2 3.26Å; E21-I89 HydrophobicContact CG-CD1 3.61Å
22A96.6Very high96.1Very high28 Ų2880.4 Ų80.423%0.23137%0.373CS..Hα-helixtrans-57-47.6177.500000112.1W17 P18 D19 D26W17-A22 HydrophobicContact CB-CB 4.12Å; P18-A22 HydrophobicContact CG-CB 4.2Å; D19-A22 PolarHBondContact OD1-N 3.23Å; A22-D26 WeakPolarHBondContact O-CB 3.45Å; A22-D26 PolarHBondContact O-N 3.48Å
23I95.9Very high96.2Very high42 Ų4280.9 Ų80.922%0.21538%0.375CS..Hα-helixtrans-68.9-34177.7-168.2168.6000112.3V2 L13 W17 D19 K20 E21 A27V2-I23 HydrophobicContact CB-CD1 4.43Å; V2-I23 HydrophobicContact CG1-CD1 3.89Å; V2-I23 HydrophobicContact CG2-CD1 4.46Å; L13-I23 HydrophobicContact CD2-CD1 4.31Å; W17-I23 HydrophobicContact CB-CB 3.77Å; W17-I23 VanDerWaalsContact CD1-CA 3.46Å; W17-I23 HydrophobicContact CD2-CB 4.19Å; W17-I23 HydrophobicContact CD2-CD1 4.29Å; W17-I23 HydrophobicContact CD2-CG1 4.04Å; W17-I23 HydrophobicContact CE3-CD1 4.2Å; W17-I23 HydrophobicContact CE3-CG1 4.45Å; W17-I23 HydrophobicContact CG-CB 3.68Å; W17-I23 HydrophobicContact CG-CG1 4.08Å; D19-I23 PolarHBondContact O-N 2.97Å; K20-I23 VanDerWaalsContact O-CG2 3.27Å; K20-I23 WeakPolarHBondContact O-CG2 3.3Å; E21-I23 PolarHBondContact O-N 3.44Å; I23-A27 VanDerWaalsContact O-CB 3.27Å; I23-A27 WeakPolarHBondContact O-CB 3.45Å; I23-A27 PolarHBondContact O-N 2.74Å
24L96Very high96.4Very high60 Ų6084.4 Ų84.431%0.31439%0.391SS..Hα-helixtrans-66.8-47.3175.9175.662.6000111.3K20 E21 D26 A27 L28 Y82 I89K20-L24 VanDerWaalsContact O-CB 3.32Å; K20-L24 WeakPolarHBondContact O-CB 3.48Å; K20-L24 PolarHBondContact O-N 3.21Å; K20-L24 VanDerWaalsContact O-N 3.17Å; E21-L24 PolarHBondContact O-N 2.87Å; E21-L24 VanDerWaalsContact O-N 3.14Å; L24-D26 VanDerWaalsContact C-N 3.3Å; L24-D26 PolarHBondContact O-N 3.26Å; L24-A27 PolarHBondContact O-N 3.08Å; L24-L28 HydrophobicContact CD1-CD1 4.21Å; L24-L28 HydrophobicContact CD1-CG 4.28Å; L24-L28 HydrophobicContact CG-CD1 4.2Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 2.89Å; L24-Y82 HydrophobicContact CD2-CD2 4.49Å; L24-Y82 HydrophobicContact CD2-CE2 3.52Å; L24-I89 HydrophobicContact CD2-CD1 3.97Å; L24-I89 HydrophobicContact CG-CD1 4.2Å
25Y97.8Very high96.4Very high85 Ų8580 Ų8033%0.33338%0.377SS..Hα-helixtrans-55.6-48.3175.5177.1-91.9000110.5E21 A27 L28 R29 P88 I89 L92E21-Y25 WeakPolarHBondContact O-CB 3.48Å; E21-Y25 PolarHBondContact O-N 3.39Å; Y25-A27 PolarHBondContact O-N 3.15Å; Y25-L28 PolarHBondContact O-N 2.96Å; Y25-R29 WeakPolarHBondContact O-CB 3.41Å; Y25-R29 PolarHBondContact O-N 3.32Å; Y25-P88 HydrophobicContact CD2-CB 4.24Å; Y25-P88 HydrophobicContact CE2-CB 3.97Å; Y25-I89 HydrophobicContact CD2-CG1 3.91Å; Y25-I89 HydrophobicContact CG-CG1 4.49Å; Y25-L92 HydrophobicContact CD2-CD2 4.03Å; Y25-L92 HydrophobicContact CE2-CB 4.2Å; Y25-L92 HydrophobicContact CE2-CD2 3.95Å
26D97.4Very high96.4Very high41 Ų4172.8 Ų72.822%0.21935%0.354CS..Hα-helixtrans-69.2-35.3-177.4-153.935.6000112.6W17 A22 L24 R29 Y30W17-D26 VanDerWaalsContact NE1-CB 3.32Å; W17-D26 PolarHBondContact NE1-OD2 3.36Å; A22-D26 WeakPolarHBondContact O-CB 3.45Å; A22-D26 PolarHBondContact O-N 3.48Å; L24-D26 VanDerWaalsContact C-N 3.3Å; L24-D26 PolarHBondContact O-N 3.26Å; D26-R29 PolarHBondContact O-N 3.48Å; D26-R29 IonicContact OD1-CZ 2.87Å; D26-R29 IonicContact OD1-NE 3.65Å; D26-R29 PolarHBondContact OD1-NE 2.99Å; D26-R29 IonicContact OD1-NH2 2.8Å; D26-R29 PolarHBondContact OD1-NH2 3.22Å; D26-Y30 VanDerWaalsContact O-CB 3.31Å; D26-Y30 WeakPolarHBondContact O-CB 3.48Å; D26-Y30 PolarHBondContact O-N 2.99Å
27A96.5Very high96.6Very high57 Ų5769 Ų6947%0.47134%0.342SS..Hα-helixtrans-64-42.9172.600000112.3I23 L24 Y25 L31I23-A27 VanDerWaalsContact O-CB 3.27Å; I23-A27 WeakPolarHBondContact O-CB 3.45Å; I23-A27 PolarHBondContact O-N 2.74Å; L24-A27 PolarHBondContact O-N 3.08Å; Y25-A27 PolarHBondContact O-N 3.15Å; A27-L31 WeakPolarHBondContact O-CB 3.5Å; A27-L31 PolarHBondContact O-N 2.83Å
28L97.7Very high96.6Very high7 Ų769.7 Ų69.74%0.03735%0.345CS..Hα-helixtrans-65.9-39.7175-71.7171.7000111.4L24 Y25 L31 S32 L74 F75 A78 I89 L92L24-L28 HydrophobicContact CD1-CD1 4.21Å; L24-L28 HydrophobicContact CD1-CG 4.28Å; L24-L28 HydrophobicContact CG-CD1 4.2Å; L24-L28 WeakPolarHBondContact O-CG 3.32Å; L24-L28 PolarHBondContact O-N 2.89Å; Y25-L28 PolarHBondContact O-N 2.96Å; L28-L31 PolarHBondContact O-N 3.2Å; L28-S32 WeakPolarHBondContact O-CB 3.38Å; L28-S32 PolarHBondContact O-N 3.2Å; L28-L74 HydrophobicContact CD2-CB 3.92Å; L28-F75 HydrophobicContact CB-CE1 4.22Å; L28-F75 HydrophobicContact CD2-CD1 4.14Å; L28-F75 HydrophobicContact CD2-CE1 4.24Å; L28-A78 HydrophobicContact CD1-CB 3.66Å; L28-I89 HydrophobicContact CD1-CG2 3.84Å; L28-L92 HydrophobicContact CB-CD2 3.6Å
29R98Very high96.7Very high93 Ų9366.9 Ų66.935%0.35132%0.324SS..Hα-helixtrans-64-45.8177.8-173.8-176.670.289.9-1110.5Y25 D26 L31 S32 Q33 L92Y25-R29 WeakPolarHBondContact O-CB 3.41Å; Y25-R29 PolarHBondContact O-N 3.32Å; D26-R29 PolarHBondContact O-N 3.48Å; D26-R29 IonicContact OD1-CZ 2.87Å; D26-R29 IonicContact OD1-NE 3.65Å; D26-R29 PolarHBondContact OD1-NE 2.99Å; D26-R29 IonicContact OD1-NH2 2.8Å; D26-R29 PolarHBondContact OD1-NH2 3.22Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-L31 PolarHBondContact O-N 3.07Å; R29-S32 PolarHBondContact O-N 3.39Å; R29-Q33 VanDerWaalsContact NH1-NE2 3.18Å; R29-Q33 VanDerWaalsContact O-CG 3.32Å; R29-Q33 WeakPolarHBondContact O-CG 3.37Å; R29-Q33 PolarHBondContact O-N 3.29Å; R29-L92 HydrophobicContact CB-CD2 4.09Å
30Y97.7Very high96.8Very high138 Ų13870 Ų7054%0.54133%0.329SS..Hα-helixtrans-62.8-38.3175.7-179.7-113.4000112.3D26 Q34D26-Y30 VanDerWaalsContact O-CB 3.31Å; D26-Y30 WeakPolarHBondContact O-CB 3.48Å; D26-Y30 PolarHBondContact O-N 2.99Å; Y30-Q34 HydrophobicContact CE1-CG 4.37Å; Y30-Q34 HydrophobicContact CE2-CG 4.46Å; Y30-Q34 WeakPolarHBondContact O-CG 3.39Å; Y30-Q34 PolarHBondContact O-N 3.24Å; Y30-Q34 VanDerWaalsContact O-N 3.08Å; Y30-Q34 PolarHBondContact O-NE2 3.34Å
31L96Very high97Very high48 Ų4866.9 Ų66.925%0.25132%0.318SS..Hα-helixtrans-64.6-45.7173.3178.761.6000112.1A27 L28 R29 Q33 Q34 I35 L74 F75A27-L31 WeakPolarHBondContact O-CB 3.5Å; A27-L31 PolarHBondContact O-N 2.83Å; L28-L31 PolarHBondContact O-N 3.2Å; R29-L31 VanDerWaalsContact C-N 3.32Å; R29-L31 PolarHBondContact O-N 3.07Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.47Å; L31-Q34 PolarHBondContact O-N 3.46Å; L31-I35 HydrophobicContact CD1-CD1 4.15Å; L31-I35 HydrophobicContact CD1-CG1 4.39Å; L31-I35 HydrophobicContact CG-CD1 4Å; L31-I35 WeakPolarHBondContact O-CG1 3.28Å; L31-I35 PolarHBondContact O-N 3.14Å; L31-L74 HydrophobicContact CD2-CB 4.18Å; L31-L74 HydrophobicContact CD2-CD1 3.68Å; L31-L74 HydrophobicContact CD2-CG 4.41Å; L31-F75 HydrophobicContact CB-CZ 4.25Å; L31-F75 HydrophobicContact CD2-CE2 3.76Å; L31-F75 HydrophobicContact CD2-CZ 3.97Å; L31-F75 HydrophobicContact CG-CE2 4.08Å; L31-F75 HydrophobicContact CG-CZ 3.99Å
32S96.9Very high97Very high14 Ų1463.8 Ų63.810%0.09830%0.304CS..Hα-helixtrans-56.8-46.2176.8170.30000110.7L28 R29 Q34 I35 D36 Q96L28-S32 WeakPolarHBondContact O-CB 3.38Å; L28-S32 PolarHBondContact O-N 3.2Å; R29-S32 PolarHBondContact O-N 3.39Å; S32-Q34 PolarHBondContact O-N 2.97Å; S32-I35 PolarHBondContact O-N 3.48Å; S32-I35 VanDerWaalsContact O-N 3.13Å; S32-D36 PolarHBondContact O-N 3.04Å; S32-Q96 PolarHBondContact OG-OE1 3.19Å
33Q97.8Very high97Very high83 Ų8365 Ų6539%0.38831%0.305SS..Hα-helixtrans-59.7-41.5175.9-71.9176.8-24.700113.4R29 L31 I35 D36 V37R29-Q33 VanDerWaalsContact NH1-NE2 3.18Å; R29-Q33 VanDerWaalsContact O-CG 3.32Å; R29-Q33 WeakPolarHBondContact O-CG 3.37Å; R29-Q33 PolarHBondContact O-N 3.29Å; L31-Q33 VanDerWaalsContact C-N 3.3Å; L31-Q33 PolarHBondContact O-N 3.47Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-D36 PolarHBondContact O-N 3.31Å; Q33-V37 VanDerWaalsContact O-CG2 3.3Å; Q33-V37 WeakPolarHBondContact O-CG2 3.34Å; Q33-V37 PolarHBondContact O-N 3.03Å
34Q96.9Very high97Very high93 Ų9369.8 Ų69.844%0.43533%0.33SS..Hα-helixtrans-63.1-42175.8-76.1174.693.500111.7Y30 L31 S32 D36 V37 W38Y30-Q34 HydrophobicContact CE1-CG 4.37Å; Y30-Q34 HydrophobicContact CE2-CG 4.46Å; Y30-Q34 WeakPolarHBondContact O-CG 3.39Å; Y30-Q34 PolarHBondContact O-N 3.24Å; Y30-Q34 VanDerWaalsContact O-N 3.08Å; Y30-Q34 PolarHBondContact O-NE2 3.34Å; L31-Q34 PolarHBondContact O-N 3.46Å; S32-Q34 PolarHBondContact O-N 2.97Å; Q34-D36 VanDerWaalsContact C-N 3.34Å; Q34-V37 PolarHBondContact O-N 2.96Å; Q34-W38 WeakPolarHBondContact O-CB 3.45Å; Q34-W38 PolarHBondContact O-N 2.88Å
35I95.9Very high97.1Very high49 Ų4969.1 Ų69.125%0.25133%0.327SS..Hα-helixtrans-65.8-40177.4-60.8165.3000110.2L31 S32 Q33 W38 R39 F75L31-I35 HydrophobicContact CD1-CD1 4.15Å; L31-I35 HydrophobicContact CD1-CG1 4.39Å; L31-I35 HydrophobicContact CG-CD1 4Å; L31-I35 WeakPolarHBondContact O-CG1 3.28Å; L31-I35 PolarHBondContact O-N 3.14Å; S32-I35 PolarHBondContact O-N 3.48Å; S32-I35 VanDerWaalsContact O-N 3.13Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; I35-W38 PolarHBondContact O-N 3.38Å; I35-R39 WeakPolarHBondContact O-CG 3.24Å; I35-R39 PolarHBondContact O-N 2.97Å; I35-F75 HydrophobicContact CD1-CE2 3.99Å; I35-F75 HydrophobicContact CD1-CZ 4.45Å
36D96.5Very high97Very high49 Ų4974.1 Ų74.126%0.26235%0.353SS..Hα-helixtrans-63.3-40.6174.8-75-26.5000113.3S32 Q33 Q34 R39 R40S32-D36 PolarHBondContact O-N 3.04Å; Q33-D36 PolarHBondContact O-N 3.31Å; Q34-D36 VanDerWaalsContact C-N 3.34Å; D36-R39 IonicContact OD1-CZ 2.61Å; D36-R39 IonicContact OD1-NE 3.88Å; D36-R39 IonicContact OD1-NH2 3.55Å; D36-R39 PolarHBondContact OD1-NH2 3.15Å; D36-R40 WeakPolarHBondContact O-CB 3.43Å; D36-R40 WeakPolarHBondContact O-CG 3.37Å; D36-R40 PolarHBondContact O-N 2.84Å; D36-R40 PolarHBondContact O-NE 3.42Å; D36-R40 VanDerWaalsContact O-NE 3.16Å
37V97.9Very high97Very high62 Ų6277.9 Ų77.938%0.37638%0.378SS..Hα-helixtrans-63.6-46.6175.3168.90000109.9Q33 Q34 R39 R40 Q41Q33-V37 VanDerWaalsContact O-CG2 3.3Å; Q33-V37 WeakPolarHBondContact O-CG2 3.34Å; Q33-V37 PolarHBondContact O-N 3.03Å; Q34-V37 PolarHBondContact O-N 2.96Å; V37-R39 PolarHBondContact O-N 2.82Å; V37-R40 PolarHBondContact O-N 3.37Å; V37-Q41 HydrophobicContact CG1-CG 4.46Å; V37-Q41 WeakPolarHBondContact O-CG 3.38Å; V37-Q41 PolarHBondContact O-N 3.41Å
38W96.9Very high97Very high88 Ų8877.5 Ų77.533%0.33337%0.367SS..Hα-helixtrans-60.3-46.2177.8176.479.3000112.2Q34 I35 R40 Q41 L42 A56 R57 A60Q34-W38 WeakPolarHBondContact O-CB 3.45Å; Q34-W38 PolarHBondContact O-N 2.88Å; I35-W38 PolarHBondContact O-N 3.38Å; W38-R40 PolarHBondContact O-N 3.32Å; W38-Q41 PolarHBondContact O-N 2.91Å; W38-L42 HydrophobicContact CH2-CD2 3.71Å; W38-L42 HydrophobicContact CZ2-CD2 3.87Å; W38-L42 HydrophobicContact CZ3-CD2 4.21Å; W38-L42 WeakPolarHBondContact O-CB 3.34Å; W38-L42 PolarHBondContact O-N 3.17Å; W38-A56 HydrophobicContact CH2-CB 4.23Å; W38-A56 HydrophobicContact CZ2-CB 4.05Å; W38-R57 HydrophobicContact CH2-CB 4.14Å; W38-A60 HydrophobicContact CZ2-CB 4.41Å
39R97.2Very high97Very high20 Ų2080.4 Ų80.48%0.07539%0.385CS..Hα-helixtrans-58.2-45.9175.5-79.6-172.5-76.4-1165.3112.2I35 D36 V37 L42 M43 F103I35-R39 WeakPolarHBondContact O-CG 3.24Å; I35-R39 PolarHBondContact O-N 2.97Å; D36-R39 IonicContact OD1-CZ 2.61Å; D36-R39 IonicContact OD1-NE 3.88Å; D36-R39 IonicContact OD1-NH2 3.55Å; D36-R39 PolarHBondContact OD1-NH2 3.15Å; V37-R39 PolarHBondContact O-N 2.82Å; R39-L42 WeakPolarHBondContact O-CB 3.29Å; R39-L42 PolarHBondContact O-N 3.38Å; R39-M43 WeakPolarHBondContact O-CG 3.4Å; R39-M43 PolarHBondContact O-N 2.79Å; R39-F103 HydrophobicContact CB-CD2 3.97Å; R39-F103 HydrophobicContact CB-CE2 4.12Å; R39-F103 HydrophobicContact CB-CG 4.47Å; R39-F103 HydrophobicContact CG-CD1 4.24Å; R39-F103 HydrophobicContact CG-CD2 3.97Å; R39-F103 HydrophobicContact CG-CE1 4.44Å; R39-F103 HydrophobicContact CG-CE2 4.18Å; R39-F103 HydrophobicContact CG-CG 4Å; R39-F103 HydrophobicContact CG-CZ 4.41Å
40R96.9Very high96.9Very high152 Ų15276.9 Ų76.957%0.57438%0.375SS*.Hα-helixtrans-63.5-42.5178.4-77.5-179.2-74.4167.6-7.6112.2D36 V37 W38 L42 M43 L44D36-R40 WeakPolarHBondContact O-CB 3.43Å; D36-R40 WeakPolarHBondContact O-CG 3.37Å; D36-R40 PolarHBondContact O-N 2.84Å; D36-R40 PolarHBondContact O-NE 3.42Å; D36-R40 VanDerWaalsContact O-NE 3.16Å; V37-R40 PolarHBondContact O-N 3.37Å; W38-R40 PolarHBondContact O-N 3.32Å; R40-L42 VanDerWaalsContact C-N 3.28Å; R40-L42 PolarHBondContact O-N 2.99Å; R40-M43 PolarHBondContact O-N 2.99Å; R40-L44 WeakPolarHBondContact O-CG 3.37Å; R40-L44 PolarHBondContact O-N 2.95Å; R40-L44 VanDerWaalsContact O-N 3.13Å
41Q97.7Very high96.8Very high122 Ų12272.1 Ų72.157%0.5736%0.358SS*.Hα-helixtrans-59.5-43.2174.5-73.9172.8-23.100111.2V37 W38 L44 D45V37-Q41 HydrophobicContact CG1-CG 4.46Å; V37-Q41 WeakPolarHBondContact O-CG 3.38Å; V37-Q41 PolarHBondContact O-N 3.41Å; W38-Q41 PolarHBondContact O-N 2.91Å; Q41-L44 PolarHBondContact O-N 2.91Å; Q41-D45 PolarHBondContact O-N 3.03Å; Q41-D45 VanDerWaalsContact O-N 3.12Å
42L97Very high96.9Very high9 Ų974.2 Ų74.25%0.04737%0.366CS..Hα-helixtrans-65.6-39.3178.2-172.261.1000112.5W38 R39 R40 L44 D45 Q48 K53 A56 F103W38-L42 HydrophobicContact CH2-CD2 3.71Å; W38-L42 HydrophobicContact CZ2-CD2 3.87Å; W38-L42 HydrophobicContact CZ3-CD2 4.21Å; W38-L42 WeakPolarHBondContact O-CB 3.34Å; W38-L42 PolarHBondContact O-N 3.17Å; R39-L42 WeakPolarHBondContact O-CB 3.29Å; R39-L42 PolarHBondContact O-N 3.38Å; R40-L42 VanDerWaalsContact C-N 3.28Å; R40-L42 PolarHBondContact O-N 2.99Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 3.22Å; L42-D45 PolarHBondContact O-N 3.14Å; L42-Q48 VanDerWaalsContact CD1-NE2 3.31Å; L42-K53 HydrophobicContact CD1-CB 4.34Å; L42-K53 HydrophobicContact CD1-CG 3.96Å; L42-K53 HydrophobicContact CD2-CB 4.23Å; L42-K53 WeakPolarHBondContact CD2-O 3.23Å; L42-K53 HydrophobicContact CG-CB 3.95Å; L42-K53 HydrophobicContact CG-CG 3.89Å; L42-K53 VanDerWaalsContact O-CD 3.25Å; L42-K53 WeakPolarHBondContact O-CD 3.46Å; L42-K53 WeakPolarHBondContact O-CE 3.34Å; L42-K53 PolarHBondContact O-NZ 3.27Å; L42-A56 HydrophobicContact CD1-CB 4.09Å; L42-A56 HydrophobicContact CD2-CB 3.66Å; L42-F103 HydrophobicContact CD2-CZ 3.9Å
43M96.1Very high96.9Very high53 Ų5374.7 Ų74.726%0.26137%0.367SS..Hα-helixtrans-59.9-40.4174-73.2-57.4-73.500112R39 R40 D45 K53 F103 E106 L107R39-M43 WeakPolarHBondContact O-CG 3.4Å; R39-M43 PolarHBondContact O-N 2.79Å; R40-M43 PolarHBondContact O-N 2.99Å; M43-D45 VanDerWaalsContact C-N 3.31Å; M43-D45 PolarHBondContact O-N 3.26Å; M43-K53 PolarHBondContact O-NZ 2.57Å; M43-F103 HydrophobicContact CG-CD2 4.08Å; M43-F103 HydrophobicContact CG-CE2 3.77Å; M43-F103 HydrophobicContact SD-CD2 4Å; M43-F103 HydrophobicContact SD-CE2 3.6Å; M43-F103 VanDerWaalsContact SD-CE2 3.6Å; M43-E106 HydrophobicContact CE-CG 4.14Å; M43-E106 WeakPolarHBondContact CE-OE1 3.01Å; M43-L107 HydrophobicContact CE-CD2 4.18Å; M43-L107 HydrophobicContact SD-CD1 4.22Å; M43-L107 HydrophobicContact SD-CD2 3.66Å; M43-L107 HydrophobicContact SD-CG 3.86Å
44L96.8Very high96.9Very high142 Ų14270.8 Ų70.874%0.74335%0.348SS*.Hα-helixtrans-77.9-11.1-180-64.9172.1000114.1R40 Q41 L42 E46R40-L44 WeakPolarHBondContact O-CG 3.37Å; R40-L44 PolarHBondContact O-N 2.95Å; R40-L44 VanDerWaalsContact O-N 3.13Å; Q41-L44 PolarHBondContact O-N 2.91Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 3.22Å; L44-E46 PolarHBondContact O-N 2.74Å; L44-E46 VanDerWaalsContact O-N 3.16Å
45D97.2Very high97Very high46 Ų4667.2 Ų67.225%0.24633%0.332CS..  trans-75104.2179.9-173.5-6.5000110.8Q41 L42 M43 T47 Q48 K53Q41-D45 PolarHBondContact O-N 3.03Å; Q41-D45 VanDerWaalsContact O-N 3.12Å; L42-D45 PolarHBondContact O-N 3.14Å; M43-D45 VanDerWaalsContact C-N 3.31Å; M43-D45 PolarHBondContact O-N 3.26Å; D45-T47 PolarHBondContact O-N 2.83Å; D45-T47 WeakPolarHBondContact OD1-CB 3.46Å; D45-T47 PolarHBondContact OD1-N 2.67Å; D45-T47 PolarHBondContact OD1-OG1 3.43Å; D45-T47 PolarHBondContact OD2-OG1 3.28Å; D45-Q48 PolarHBondContact OD2-NE2 3.35Å; D45-K53 WeakPolarHBondContact O-CE 3.4Å; D45-K53 PolarHBondContact O-NZ 3.43Å
46E96.2Very high97Very high190 Ų19065.2 Ų65.289%0.88832%0.323SS*.THydrogen-bonded Turntrans-75.3-9.8179-63.3-176.1172.800113.5L44 Q48L44-E46 PolarHBondContact O-N 2.74Å; L44-E46 VanDerWaalsContact O-N 3.16Å; E46-Q48 VanDerWaalsContact C-N 3.31Å
47T97.6Very high97Very high120 Ų12063.7 Ų63.774%0.73631%0.314SS*.THydrogen-bonded Turntrans-81-15.1179.572.60000113D45D45-T47 PolarHBondContact O-N 2.83Å; D45-T47 WeakPolarHBondContact OD1-CB 3.46Å; D45-T47 PolarHBondContact OD1-N 2.67Å; D45-T47 PolarHBondContact OD1-OG1 3.43Å; D45-T47 PolarHBondContact OD2-OG1 3.28Å
48Q96.5Very high97Very high50 Ų5060.8 Ų60.823%0.23430%0.296CS..SBendtrans-108138.3-179-67.4-174.465.800111.8L42 D45 E46 Q52 K53L42-Q48 VanDerWaalsContact CD1-NE2 3.31Å; D45-Q48 PolarHBondContact OD2-NE2 3.35Å; E46-Q48 VanDerWaalsContact C-N 3.31Å; Q48-Q52 VanDerWaalsContact CA-OE1 3.31Å; Q48-Q52 HydrophobicContact CB-CB 4.08Å; Q48-Q52 HydrophobicContact CG-CB 4.49Å; Q48-K53 HydrophobicContact CB-CG 3.94Å; Q48-K53 VanDerWaalsContact O-CE 3.28Å; Q48-K53 WeakPolarHBondContact O-CE 3.44Å
49T96.5Very high96.9Very high68 Ų6861.5 Ų61.542%0.41730%0.303SS..  trans-70.2162.8169.881.50000111E51 Q52 K53T49-E51 VanDerWaalsContact CB-OE2 3.23Å; T49-E51 WeakPolarHBondContact CB-OE2 3.43Å; T49-E51 PolarHBondContact O-N 2.9Å; T49-E51 PolarHBondContact OG1-N 3.2Å; T49-E51 PolarHBondContact OG1-OE2 3.46Å; T49-Q52 PolarHBondContact O-N 3.33Å; T49-Q52 VanDerWaalsContact O-N 3.09Å; T49-Q52 PolarHBondContact OG1-N 2.96Å; T49-K53 WeakPolarHBondContact O-CG 3.36Å; T49-K53 PolarHBondContact O-N 3.37Å
50A96.3Very high96.8Very high18 Ų1862.1 Ų62.115%0.14931%0.312CS..Hα-helixtrans-60.3-35.1177.800000112K53 L54 L107 L111A50-K53 PolarHBondContact O-N 2.93Å; A50-L54 WeakPolarHBondContact O-CG 3.46Å; A50-L54 PolarHBondContact O-N 3.15Å; A50-L107 HydrophobicContact CB-CD2 3.94Å; A50-L111 HydrophobicContact CB-CD1 4.12Å; A50-L111 HydrophobicContact CB-CD2 3.68Å; A50-L111 HydrophobicContact CB-CG 3.76Å
51E96.4Very high96.7Very high39 Ų3955.7 Ų55.718%0.18229%0.289CS..Hα-helixtrans-63.7-44173.4-56.992.415300111.9T49 K53 L54 L55 L111 L154 R158T49-E51 VanDerWaalsContact CB-OE2 3.23Å; T49-E51 WeakPolarHBondContact CB-OE2 3.43Å; T49-E51 PolarHBondContact O-N 2.9Å; T49-E51 PolarHBondContact OG1-N 3.2Å; T49-E51 PolarHBondContact OG1-OE2 3.46Å; E51-K53 VanDerWaalsContact C-N 3.32Å; E51-K53 PolarHBondContact O-N 3.25Å; E51-L54 WeakPolarHBondContact O-CB 3.43Å; E51-L54 PolarHBondContact O-N 2.97Å; E51-L55 WeakPolarHBondContact O-CG 3.45Å; E51-L55 PolarHBondContact O-N 3.36Å; E51-L55 VanDerWaalsContact O-N 3.07Å; E51-L111 VanDerWaalsContact CD-CD2 3.46Å; E51-L111 HydrophobicContact CG-CD1 3.86Å; E51-L111 HydrophobicContact CG-CD2 4.07Å; E51-L111 WeakPolarHBondContact OE1-CD2 3.33Å; E51-L154 HydrophobicContact CB-CD2 3.73Å; E51-L154 HydrophobicContact CG-CD2 3.64Å; E51-R158 IonicContact OE1-CZ 3.5Å; E51-R158 IonicContact OE1-NH1 2.64Å; E51-R158 PolarHBondContact OE1-NH1 3Å; E51-R158 IonicContact OE1-NH2 3.62Å
52Q97.4Very high96.6Very high92 Ų9250.7 Ų50.743%0.4327%0.268SS..Hα-helixtrans-62.7-41.9176.7-70.5173.1-3500111.1Q48 T49 L54 L55 A56Q48-Q52 VanDerWaalsContact CA-OE1 3.31Å; Q48-Q52 HydrophobicContact CB-CB 4.08Å; Q48-Q52 HydrophobicContact CG-CB 4.49Å; T49-Q52 PolarHBondContact O-N 3.33Å; T49-Q52 VanDerWaalsContact O-N 3.09Å; T49-Q52 PolarHBondContact OG1-N 2.96Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-L54 PolarHBondContact O-N 3.39Å; Q52-L55 PolarHBondContact O-N 2.94Å; Q52-L55 VanDerWaalsContact O-N 3.16Å; Q52-A56 WeakPolarHBondContact O-CB 3.43Å; Q52-A56 PolarHBondContact O-N 3.39Å
53K98.1Very high96.5Very high24 Ų2456 Ų5610%0.10429%0.292CS..Hα-helixtrans-61.1-40.9174.8-65.6176.1-177.3-176.50112.1L42 M43 D45 Q48 T49 A50 E51 L55 L107L42-K53 HydrophobicContact CD1-CB 4.34Å; L42-K53 HydrophobicContact CD1-CG 3.96Å; L42-K53 HydrophobicContact CD2-CB 4.23Å; L42-K53 WeakPolarHBondContact CD2-O 3.23Å; L42-K53 HydrophobicContact CG-CB 3.95Å; L42-K53 HydrophobicContact CG-CG 3.89Å; L42-K53 VanDerWaalsContact O-CD 3.25Å; L42-K53 WeakPolarHBondContact O-CD 3.46Å; L42-K53 WeakPolarHBondContact O-CE 3.34Å; L42-K53 PolarHBondContact O-NZ 3.27Å; M43-K53 PolarHBondContact O-NZ 2.57Å; D45-K53 WeakPolarHBondContact O-CE 3.4Å; D45-K53 PolarHBondContact O-NZ 3.43Å; Q48-K53 HydrophobicContact CB-CG 3.94Å; Q48-K53 VanDerWaalsContact O-CE 3.28Å; Q48-K53 WeakPolarHBondContact O-CE 3.44Å; T49-K53 WeakPolarHBondContact O-CG 3.36Å; T49-K53 PolarHBondContact O-N 3.37Å; A50-K53 PolarHBondContact O-N 2.93Å; E51-K53 VanDerWaalsContact C-N 3.32Å; E51-K53 PolarHBondContact O-N 3.25Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 2.97Å; K53-L107 HydrophobicContact CB-CD1 3.79Å; K53-L107 HydrophobicContact CB-CD2 4.03Å; K53-L107 HydrophobicContact CD-CD2 4.04Å
54L97.5Very high96.4Very high0 Ų055.3 Ų55.30%029%0.293CS..Hα-helixtrans-59.1-45174.3-80.4169.5000111.3A50 E51 Q52 R57 T104 L107 L108 L111 M123 L154A50-L54 WeakPolarHBondContact O-CG 3.46Å; A50-L54 PolarHBondContact O-N 3.15Å; E51-L54 WeakPolarHBondContact O-CB 3.43Å; E51-L54 PolarHBondContact O-N 2.97Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-L54 PolarHBondContact O-N 3.39Å; L54-R57 VanDerWaalsContact O-CZ 3.24Å; L54-R57 PolarHBondContact O-NE 3.3Å; L54-R57 PolarHBondContact O-NH2 3.14Å; L54-T104 HydrophobicContact CD2-CG2 3.81Å; L54-L107 HydrophobicContact CD1-CB 4.19Å; L54-L107 HydrophobicContact CD2-CB 3.74Å; L54-L107 HydrophobicContact CD2-CD1 3.86Å; L54-L107 HydrophobicContact CD2-CG 4.46Å; L54-L107 HydrophobicContact CG-CB 3.73Å; L54-L107 HydrophobicContact CG-CD1 3.86Å; L54-L107 HydrophobicContact CG-CG 4.43Å; L54-L108 HydrophobicContact CD1-CD2 3.65Å; L54-L108 HydrophobicContact CD1-CG 4.03Å; L54-L108 HydrophobicContact CD2-CG 4.38Å; L54-L111 HydrophobicContact CD1-CD1 3.79Å; L54-M123 HydrophobicContact CB-CE 4.15Å; L54-M123 HydrophobicContact CD2-CE 4.24Å; L54-M123 HydrophobicContact CD2-SD 4.45Å; L54-L154 HydrophobicContact CD1-CD1 4.1Å; L54-L154 HydrophobicContact CD1-CD2 4.38Å
55L97.8Very high96.2Very high19 Ų1949.1 Ų49.110%0.09926%0.261CS..Hα-helixtrans-84.6-15-173.3-60176000114.2E51 Q52 K53 R57 Y58 A150 E151E51-L55 WeakPolarHBondContact O-CG 3.45Å; E51-L55 PolarHBondContact O-N 3.36Å; E51-L55 VanDerWaalsContact O-N 3.07Å; Q52-L55 PolarHBondContact O-N 2.94Å; Q52-L55 VanDerWaalsContact O-N 3.16Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 2.97Å; L55-R57 PolarHBondContact O-N 3.32Å; L55-Y58 HydrophobicContact CD2-CD2 4.39Å; L55-Y58 HydrophobicContact CD2-CE2 4.36Å; L55-Y58 PolarHBondContact O-N 2.97Å; L55-A150 HydrophobicContact CD2-CB 3.83Å; L55-E151 HydrophobicContact CD1-CG 3.67Å; L55-E151 HydrophobicContact CD2-CG 4.25Å
56A97.6Very high96Very high7 Ų754.3 Ų54.36%0.05828%0.281CS..Hα-helixtrans-53.8-28.4-178.100000113.9W38 L42 Q52 Y58 Q59 A60W38-A56 HydrophobicContact CH2-CB 4.23Å; W38-A56 HydrophobicContact CZ2-CB 4.05Å; L42-A56 HydrophobicContact CD1-CB 4.09Å; L42-A56 HydrophobicContact CD2-CB 3.66Å; Q52-A56 WeakPolarHBondContact O-CB 3.43Å; Q52-A56 PolarHBondContact O-N 3.39Å; A56-Y58 VanDerWaalsContact C-N 3.27Å; A56-Y58 PolarHBondContact O-N 3.43Å; A56-Q59 WeakPolarHBondContact O-CB 3.34Å; A56-Q59 PolarHBondContact O-N 3Å; A56-Q59 VanDerWaalsContact O-N 3.15Å; A56-A60 PolarHBondContact O-N 2.74Å
57R96.3Very high95.8Very high17 Ų1750.7 Ų50.76%0.06427%0.267CS..Hα-helixtrans-57.3-38175.769.7-168.377.8172.2-3.6112.8W38 L54 L55 A60 L61 T104 E124 L127W38-R57 HydrophobicContact CH2-CB 4.14Å; L54-R57 VanDerWaalsContact O-CZ 3.24Å; L54-R57 PolarHBondContact O-NE 3.3Å; L54-R57 PolarHBondContact O-NH2 3.14Å; L55-R57 PolarHBondContact O-N 3.32Å; R57-A60 PolarHBondContact O-N 2.85Å; R57-L61 WeakPolarHBondContact O-CG 3.44Å; R57-L61 PolarHBondContact O-N 2.92Å; R57-T104 PolarHBondContact NH1-OG1 3.38Å; R57-T104 PolarHBondContact NH2-OG1 3.24Å; R57-E124 IonicContact NH1-OE1 3.89Å; R57-E124 PolarHBondContact NH1-OE1 2.85Å; R57-L127 HydrophobicContact CG-CD1 4.17Å
58Y97Very high95.4Very high0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-74.6-29.4-180-60.7-71.8000112.1L55 A56 L61 S62 L127 V143 A146 H147 A150L55-Y58 HydrophobicContact CD2-CD2 4.39Å; L55-Y58 HydrophobicContact CD2-CE2 4.36Å; L55-Y58 PolarHBondContact O-N 2.97Å; A56-Y58 VanDerWaalsContact C-N 3.27Å; A56-Y58 PolarHBondContact O-N 3.43Å; Y58-L61 HydrophobicContact CD1-CD1 4.43Å; Y58-L61 PolarHBondContact O-N 2.87Å; Y58-S62 WeakPolarHBondContact O-CB 3.26Å; Y58-S62 PolarHBondContact O-N 3.48Å; Y58-S62 PolarHBondContact O-OG 2.96Å; Y58-L127 HydrophobicContact CE1-CD1 4.27Å; Y58-V143 WeakPolarHBondContact O-CG1 3.31Å; Y58-A146 HydrophobicContact CD1-CB 4.12Å; Y58-A146 HydrophobicContact CE1-CB 3.63Å; Y58-H147 HydrophobicContact CD1-CB 4.24Å; Y58-H147 HydrophobicContact CD2-CB 4.19Å; Y58-H147 AromaticContact CD2-CD2 3.8Å; Y58-H147 HydrophobicContact CG-CB 3.8Å; Y58-A150 HydrophobicContact CD2-CB 4.4Å; Y58-A150 HydrophobicContact CE2-CB 3.43Å; Y58-A150 VanDerWaalsContact CE2-CB 3.43Å
59Q95.4Very high95Very high104 Ų10457.2 Ų57.249%0.48629%0.286SS..Hα-helixtrans-65.9-47.1171.1-60.6176.6-4.700110.1A56 L61 S62 E63A56-Q59 WeakPolarHBondContact O-CB 3.34Å; A56-Q59 PolarHBondContact O-N 3Å; A56-Q59 VanDerWaalsContact O-N 3.15Å; Q59-L61 VanDerWaalsContact C-N 3.32Å; Q59-L61 PolarHBondContact O-N 3.35Å; Q59-S62 WeakPolarHBondContact O-CB 3.18Å; Q59-S62 PolarHBondContact O-N 3.12Å; Q59-S62 VanDerWaalsContact O-N 3.08Å; Q59-E63 PolarHBondContact O-N 2.88Å
60A94.5Very high94.5Very high33 Ų3356.9 Ų56.927%0.27328%0.277SS..Hα-helixtrans-60.1-39.6175.300000112.6W38 A56 R57 E63 C64W38-A60 HydrophobicContact CZ2-CB 4.41Å; A56-A60 PolarHBondContact O-N 2.74Å; R57-A60 PolarHBondContact O-N 2.85Å; A60-E63 PolarHBondContact O-N 3.5Å; A60-C64 PolarHBondContact O-N 3.09Å; A60-C64 PolarHBondContact O-SG 3.16Å
61L95.1Very high93.5Very high16 Ų1658.1 Ų58.18%0.08428%0.284CS..Hα-helixtrans-65.5-38.9173.5-69.8177.6000112.3R57 Y58 Q59 E63 C64 V65 P71 L127 L131 M134 V143R57-L61 WeakPolarHBondContact O-CG 3.44Å; R57-L61 PolarHBondContact O-N 2.92Å; Y58-L61 HydrophobicContact CD1-CD1 4.43Å; Y58-L61 PolarHBondContact O-N 2.87Å; Q59-L61 VanDerWaalsContact C-N 3.32Å; Q59-L61 PolarHBondContact O-N 3.35Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.47Å; L61-C64 WeakPolarHBondContact O-CB 3.49Å; L61-C64 PolarHBondContact O-N 2.86Å; L61-V65 WeakPolarHBondContact O-CG2 3.38Å; L61-V65 PolarHBondContact O-N 2.93Å; L61-P71 HydrophobicContact CD2-CG 4.11Å; L61-L127 HydrophobicContact CD1-CD1 3.86Å; L61-L131 HydrophobicContact CD1-CD2 4.26Å; L61-L131 HydrophobicContact CD2-CD2 3.65Å; L61-M134 HydrophobicContact CD1-SD 4.48Å; L61-M134 HydrophobicContact CD2-SD 4.17Å; L61-V143 HydrophobicContact CB-CG1 3.91Å; L61-V143 HydrophobicContact CB-CG2 4.28Å
62S95.8Very high93Very high17 Ų1756.7 Ų56.712%0.11928%0.279CS..Hα-helixtrans-64-39.5176-60.30000111.7Y58 Q59 C64 V65 K66 Q140 V143Y58-S62 WeakPolarHBondContact O-CB 3.26Å; Y58-S62 PolarHBondContact O-N 3.48Å; Y58-S62 PolarHBondContact O-OG 2.96Å; Q59-S62 WeakPolarHBondContact O-CB 3.18Å; Q59-S62 PolarHBondContact O-N 3.12Å; Q59-S62 VanDerWaalsContact O-N 3.08Å; S62-C64 VanDerWaalsContact C-N 3.33Å; S62-C64 PolarHBondContact O-N 2.95Å; S62-V65 PolarHBondContact O-N 3.33Å; S62-K66 VanDerWaalsContact O-CG 3.32Å; S62-K66 WeakPolarHBondContact O-CG 3.19Å; S62-K66 PolarHBondContact O-N 3.24Å; S62-Q140 PolarHBondContact OG-NE2 3.29Å; S62-V143 VanDerWaalsContact OG-CG1 3.3Å; S62-V143 WeakPolarHBondContact OG-CG1 3.44Å
63E94.9Very high92.7Very high120 Ų12052.7 Ų52.756%0.56126%0.262SS*.Hα-helixtrans-63-39.2173.1-70.7178.9177.600112.2Q59 A60 L61 K66 N67Q59-E63 PolarHBondContact O-N 2.88Å; A60-E63 PolarHBondContact O-N 3.5Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.47Å; E63-K66 PolarHBondContact O-N 3.23Å; E63-N67 PolarHBondContact O-N 3.2Å; E63-N67 VanDerWaalsContact O-N 3.15Å; E63-N67 PolarHBondContact O-ND2 3.13Å
64C93Very high92.5Very high40 Ų4056.2 Ų56.227%0.2728%0.281SS..Hα-helixtrans-58.9-50.2172.9-68.50000110.9A60 L61 S62 K66 N67 N68 R69 P71A60-C64 PolarHBondContact O-N 3.09Å; A60-C64 PolarHBondContact O-SG 3.16Å; L61-C64 WeakPolarHBondContact O-CB 3.49Å; L61-C64 PolarHBondContact O-N 2.86Å; S62-C64 VanDerWaalsContact C-N 3.33Å; S62-C64 PolarHBondContact O-N 2.95Å; C64-K66 PolarHBondContact O-N 3.45Å; C64-N67 CarbonylContact O-C 3.02Å; C64-N67 WeakPolarHBondContact O-CA 3.47Å; C64-N67 PolarHBondContact O-N 3.07Å; C64-N68 PolarHBondContact O-N 3.48Å; C64-R69 CarbonylContact C-O 3.25Å; C64-R69 HydrophobicContact CB-CB 4.21Å; C64-R69 CarbonylContact O-C 3.45Å; C64-R69 WeakPolarHBondContact O-CA 3.4Å; C64-R69 WeakPolarHBondContact O-CB 3.45Å; C64-R69 PolarHBondContact O-N 2.9Å; C64-P71 HydrophobicContact CB-CG 3.93Å
65V92.8Very high92.4Very high12 Ų1256.6 Ų56.67%0.07328%0.283CS..Hα-helixtrans-59.3-45.5179.7171.50000111.7L61 S62 N67 N68 R69 Y70 M134 Q140 V143L61-V65 WeakPolarHBondContact O-CG2 3.38Å; L61-V65 PolarHBondContact O-N 2.93Å; S62-V65 PolarHBondContact O-N 3.33Å; V65-N67 PolarHBondContact O-N 3.41Å; V65-N68 WeakPolarHBondContact O-CA 3.18Å; V65-N68 PolarHBondContact O-N 2.96Å; V65-R69 PolarHBondContact N-O 3.19Å; V65-Y70 HydrophobicContact CB-CE1 4.46Å; V65-Y70 HydrophobicContact CG1-CE1 4.02Å; V65-Y70 HydrophobicContact CG2-CD1 4.22Å; V65-Y70 HydrophobicContact CG2-CE1 4.32Å; V65-M134 HydrophobicContact CG2-CE 3.38Å; V65-Q140 HydrophobicContact CG1-CB 3.88Å; V65-V143 HydrophobicContact CG2-CG2 3.98Å
66K92.6Very high92.2Very high155 Ų15559.4 Ų59.467%0.67430%0.297SS*.Hα-helixtrans-56.7-33.4176.1-74.9173.3-176.31760112.5S62 E63 C64 N68S62-K66 VanDerWaalsContact O-CG 3.32Å; S62-K66 WeakPolarHBondContact O-CG 3.19Å; S62-K66 PolarHBondContact O-N 3.24Å; E63-K66 PolarHBondContact O-N 3.23Å; C64-K66 PolarHBondContact O-N 3.45Å; K66-N68 PolarHBondContact O-N 3.22Å
67N93Very high92Very high113 Ų11360.9 Ų60.960%0.60431%0.309SS*.THydrogen-bonded Turntrans-8716.7176.7-68.9-51.4000113.5E63 C64 V65 R69E63-N67 PolarHBondContact O-N 3.2Å; E63-N67 VanDerWaalsContact O-N 3.15Å; E63-N67 PolarHBondContact O-ND2 3.13Å; C64-N67 CarbonylContact O-C 3.02Å; C64-N67 WeakPolarHBondContact O-CA 3.47Å; C64-N67 PolarHBondContact O-N 3.07Å; V65-N67 PolarHBondContact O-N 3.41Å; N67-R69 HydrophobicContact CB-CG 4.4Å; N67-R69 PolarHBondContact O-N 3.22Å; N67-R69 VanDerWaalsContact O-N 3.16Å
68N89.3Confident92Very high125 Ų12560.3 Ų60.367%0.66831%0.308SS*.THydrogen-bonded Turntrans53.130.7-174.2-63.7-59.1000113.1C64 V65 K66 Y70C64-N68 PolarHBondContact O-N 3.48Å; V65-N68 WeakPolarHBondContact O-CA 3.18Å; V65-N68 PolarHBondContact O-N 2.96Å; K66-N68 PolarHBondContact O-N 3.22Å; N68-Y70 HydrophobicContact CB-CE2 4.45Å; N68-Y70 WeakPolarHBondContact O-CE2 3.4Å; N68-Y70 PolarHBondContact OD1-OH 3.39Å
69R88.2Confident91.9Very high182 Ų18261.6 Ų61.669%0.68732%0.317SS*.  trans-105.3124.5172.7-61.3-170-177.8-133.63.2108.6C64 V65 N67 P71C64-R69 CarbonylContact C-O 3.25Å; C64-R69 HydrophobicContact CB-CB 4.21Å; C64-R69 CarbonylContact O-C 3.45Å; C64-R69 WeakPolarHBondContact O-CA 3.4Å; C64-R69 WeakPolarHBondContact O-CB 3.45Å; C64-R69 PolarHBondContact O-N 2.9Å; V65-R69 PolarHBondContact N-O 3.19Å; N67-R69 HydrophobicContact CB-CG 4.4Å; N67-R69 PolarHBondContact O-N 3.22Å; N67-R69 VanDerWaalsContact O-N 3.16Å; R69-P71 WeakPolarHBondContact O-CD 3.49Å
70Y84.8Confident91.9Very high61 Ų6161.8 Ų61.824%0.23933%0.325CS..  trans-117.473.8-179.7-52.1-77.4000108.5V65 N68 G72 R138V65-Y70 HydrophobicContact CB-CE1 4.46Å; V65-Y70 HydrophobicContact CG1-CE1 4.02Å; V65-Y70 HydrophobicContact CG2-CD1 4.22Å; V65-Y70 HydrophobicContact CG2-CE1 4.32Å; N68-Y70 HydrophobicContact CB-CE2 4.45Å; N68-Y70 WeakPolarHBondContact O-CE2 3.4Å; N68-Y70 PolarHBondContact OD1-OH 3.39Å; Y70-G72 PolarHBondContact O-N 3.41Å; Y70-R138 VanDerWaalsContact CD1-CA 3.4Å; Y70-R138 HydrophobicContact CD1-CB 3.53Å; Y70-R138 HydrophobicContact CD1-CG 3.98Å; Y70-R138 HydrophobicContact CD2-CB 3.93Å; Y70-R138 HydrophobicContact CD2-CG 3.76Å; Y70-R138 VanDerWaalsContact CE1-C 3.42Å; Y70-R138 HydrophobicContact CE1-CB 3.53Å; Y70-R138 HydrophobicContact CE1-CG 4.37Å; Y70-R138 WeakPolarHBondContact CE1-O 3.46Å; Y70-R138 HydrophobicContact CE2-CB 3.94Å; Y70-R138 HydrophobicContact CE2-CG 4.17Å; Y70-R138 HydrophobicContact CG-CB 3.71Å; Y70-R138 HydrophobicContact CG-CG 3.63Å
71P76.3Confident92Very high45 Ų4567.8 Ų67.829%0.29235%0.345SS..  trans-62.4111.7176.327.1-33.3000107.8L61 C64 R69 L131 M134L61-P71 HydrophobicContact CD2-CG 4.11Å; C64-P71 HydrophobicContact CB-CG 3.93Å; R69-P71 WeakPolarHBondContact O-CD 3.49Å; P71-L131 WeakPolarHBondContact O-CD2 3.06Å; P71-M134 HydrophobicContact CG-CE 4.24Å
72G86.3Confident92.1Very high8 Ų869.2 Ų69.28%0.08235%0.35CS..  trans-70.2177.7154.500000110.3Y70 L74 L131 L135Y70-G72 PolarHBondContact O-N 3.41Å; G72-L74 PolarHBondContact O-N 3.47Å; G72-L74 VanDerWaalsContact O-N 3.07Å; G72-L131 WeakPolarHBondContact CA-O 3.5Å; G72-L135 VanDerWaalsContact CA-CG 3.49Å
73C90.8Very high92.2Very high9 Ų973 Ų736%0.06137%0.374CS..  trans-75.999.7165.4-173.10000110F75 I76 A77 K97 L131C73-F75 PolarHBondContact O-N 3.42Å; C73-I76 HydrophobicContact CB-CB 3.98Å; C73-I76 HydrophobicContact CB-CD1 3.99Å; C73-I76 HydrophobicContact CB-CG1 4.01Å; C73-I76 PolarHBondContact O-N 3.21Å; C73-I76 PolarHBondContact SG-N 2.93Å; C73-A77 PolarHBondContact O-N 2.7Å; C73-K97 PolarHBondContact SG-NZ 3.5Å; C73-L131 HydrophobicContact CB-CB 4.15Å; C73-L131 HydrophobicContact CB-CD1 4.13Å
74L92.8Very high92.3Very high97 Ų9772 Ų7251%0.50837%0.372SS..Hα-helixtrans-60.6-29.4177.5-66.5176.3000112.7L28 L31 G72 A78L28-L74 HydrophobicContact CD2-CB 3.92Å; L31-L74 HydrophobicContact CD2-CB 4.18Å; L31-L74 HydrophobicContact CD2-CD1 3.68Å; L31-L74 HydrophobicContact CD2-CG 4.41Å; G72-L74 PolarHBondContact O-N 3.47Å; G72-L74 VanDerWaalsContact O-N 3.07Å; L74-A78 WeakPolarHBondContact O-CB 3.4Å; L74-A78 PolarHBondContact O-N 2.61Å
75F96.1Very high92.6Very high9 Ų974.3 Ų74.34%0.03939%0.387CS..Hα-helixtrans-66.6-46.6175.1-57.5-83.1000111.9L28 L31 I35 C73 A78 C79 A93 Q96L28-F75 HydrophobicContact CB-CE1 4.22Å; L28-F75 HydrophobicContact CD2-CD1 4.14Å; L28-F75 HydrophobicContact CD2-CE1 4.24Å; L31-F75 HydrophobicContact CB-CZ 4.25Å; L31-F75 HydrophobicContact CD2-CE2 3.76Å; L31-F75 HydrophobicContact CD2-CZ 3.97Å; L31-F75 HydrophobicContact CG-CE2 4.08Å; L31-F75 HydrophobicContact CG-CZ 3.99Å; I35-F75 HydrophobicContact CD1-CE2 3.99Å; I35-F75 HydrophobicContact CD1-CZ 4.45Å; C73-F75 PolarHBondContact O-N 3.42Å; F75-A78 PolarHBondContact O-N 3.22Å; F75-C79 PolarHBondContact O-N 3.44Å; F75-C79 PolarHBondContact O-SG 3.46Å; F75-A93 HydrophobicContact CB-CB 3.75Å; F75-A93 HydrophobicContact CD1-CB 4.42Å; F75-Q96 HydrophobicContact CD1-CB 3.91Å; F75-Q96 HydrophobicContact CD1-CG 4.08Å; F75-Q96 HydrophobicContact CD2-CB 4.46Å; F75-Q96 HydrophobicContact CD2-CG 3.81Å; F75-Q96 HydrophobicContact CE1-CB 3.9Å; F75-Q96 HydrophobicContact CE1-CG 3.87Å; F75-Q96 HydrophobicContact CE2-CB 4.48Å; F75-Q96 HydrophobicContact CE2-CG 3.61Å; F75-Q96 HydrophobicContact CG-CB 4.2Å; F75-Q96 HydrophobicContact CG-CG 4.05Å; F75-Q96 HydrophobicContact CZ-CB 4.2Å; F75-Q96 HydrophobicContact CZ-CG 3.63Å
76I93.8Very high92.8Very high78 Ų7875.9 Ų75.940%0.441%0.406SS..Hα-helixtrans-65.3-43.4174.7-68.2177.9000110.4C73 A78 C79 T80 E128C73-I76 HydrophobicContact CB-CB 3.98Å; C73-I76 HydrophobicContact CB-CD1 3.99Å; C73-I76 HydrophobicContact CB-CG1 4.01Å; C73-I76 PolarHBondContact O-N 3.21Å; C73-I76 PolarHBondContact SG-N 2.93Å; I76-A78 PolarHBondContact O-N 2.95Å; I76-C79 WeakPolarHBondContact O-CB 3.25Å; I76-C79 PolarHBondContact O-N 3.24Å; I76-T80 PolarHBondContact O-N 2.95Å; I76-E128 HydrophobicContact CD1-CB 4.43Å; I76-E128 HydrophobicContact CD1-CG 4.39Å; I76-E128 WeakPolarHBondContact CD1-OE2 3.37Å
77A93.6Very high93.1Very high37 Ų3770.4 Ų70.431%0.30638%0.382SS..Hα-helixtrans-58.7-38.1177.500000111.9C73 T80 F81C73-A77 PolarHBondContact O-N 2.7Å; A77-T80 WeakPolarHBondContact O-CB 3.42Å; A77-T80 PolarHBondContact O-N 3.26Å; A77-F81 WeakPolarHBondContact O-CD2 3.26Å
78A95.5Very high93.4Very high6 Ų668 Ų685%0.0537%0.373CS..Hα-helixtrans-65.3-38.7175.400000112.3L28 L74 F75 I76 T80 F81 Y82 I89L28-A78 HydrophobicContact CD1-CB 3.66Å; L74-A78 WeakPolarHBondContact O-CB 3.4Å; L74-A78 PolarHBondContact O-N 2.61Å; F75-A78 PolarHBondContact O-N 3.22Å; I76-A78 PolarHBondContact O-N 2.95Å; A78-T80 PolarHBondContact O-N 3.09Å; A78-F81 PolarHBondContact O-N 2.92Å; A78-Y82 WeakPolarHBondContact O-CD2 3.43Å; A78-Y82 PolarHBondContact O-N 3.22Å; A78-I89 HydrophobicContact CB-CG2 3.67Å
79C96.2Very high93.8Very high27 Ų2762.1 Ų62.118%0.18234%0.342CS..Hα-helixtrans-62.2-24.3178.4-64.40000113.4F75 I76 F81 Y82 P83 A93F75-C79 PolarHBondContact O-N 3.44Å; F75-C79 PolarHBondContact O-SG 3.46Å; I76-C79 WeakPolarHBondContact O-CB 3.25Å; I76-C79 PolarHBondContact O-N 3.24Å; C79-F81 VanDerWaalsContact C-N 3.26Å; C79-F81 PolarHBondContact O-N 3.43Å; C79-Y82 CarbonylContact O-C 3.59Å; C79-Y82 VanDerWaalsContact O-C 3.25Å; C79-Y82 PolarHBondContact O-N 3.39Å; C79-P83 VanDerWaalsContact O-CA 3.26Å; C79-P83 WeakPolarHBondContact O-CA 3.38Å; C79-A93 WeakPolarHBondContact SG-CB 3.49Å
80T95.1Very high94.3Very high108 Ų10855.5 Ų55.566%0.66332%0.318SS*.Hα-helixtrans-63.1-33.9171.9-56.40000112.3I76 A77 A78I76-T80 PolarHBondContact O-N 2.95Å; A77-T80 WeakPolarHBondContact O-CB 3.42Å; A77-T80 PolarHBondContact O-N 3.26Å; A78-T80 PolarHBondContact O-N 3.09Å
81F96.1Very high94.9Very high158 Ų15856.7 Ų56.769%0.69333%0.326SS*.Hα-helixtrans-90.6-27.4178.5-61.7-80.1000112.6A77 A78 C79 P83A77-F81 WeakPolarHBondContact O-CD2 3.26Å; A78-F81 PolarHBondContact O-N 2.92Å; C79-F81 VanDerWaalsContact C-N 3.26Å; C79-F81 PolarHBondContact O-N 3.43Å; F81-P83 VanDerWaalsContact C-CD 3.47Å; F81-P83 WeakPolarHBondContact O-CD 3.36Å
82Y97.3Very high96Very high47 Ų4755 Ų5518%0.18431%0.314CS..  trans-124.273.2179.5-52.9-83.7000109.8E21 L24 A78 C79 D84 H87 I89 H90E21-Y82 HydrophobicContact CG-CE1 3.97Å; L24-Y82 HydrophobicContact CD2-CD2 4.49Å; L24-Y82 HydrophobicContact CD2-CE2 3.52Å; A78-Y82 WeakPolarHBondContact O-CD2 3.43Å; A78-Y82 PolarHBondContact O-N 3.22Å; C79-Y82 CarbonylContact O-C 3.59Å; C79-Y82 VanDerWaalsContact O-C 3.25Å; C79-Y82 PolarHBondContact O-N 3.39Å; Y82-D84 VanDerWaalsContact C-N 3.34Å; Y82-D84 PolarHBondContact O-N 3.49Å; Y82-H87 AromaticContact CD1-CE1 3.24Å; Y82-H87 WeakPolarHBondContact CD1-CE1 3.5Å; Y82-H87 AromaticContact CD1-ND1 3.64Å; Y82-H87 AromaticContact CD1-NE2 3.48Å; Y82-H87 WeakPolarHBondContact CD1-NE2 3.32Å; Y82-H87 AromaticContact CE1-CE1 3.75Å; Y82-H87 AromaticContact CE1-NE2 3.97Å; Y82-H87 AromaticContact CG-CE1 3.9Å; Y82-H87 AromaticContact CG-ND1 3.88Å; Y82-I89 HydrophobicContact CD1-CD1 4.33Å; Y82-I89 HydrophobicContact CD2-CB 4.11Å; Y82-I89 HydrophobicContact CD2-CD1 3.77Å; Y82-I89 HydrophobicContact CD2-CG2 3.7Å; Y82-I89 HydrophobicContact CE1-CD1 4.09Å; Y82-I89 HydrophobicContact CE2-CD1 3.55Å; Y82-I89 HydrophobicContact CE2-CG2 4.39Å; Y82-I89 HydrophobicContact CG-CB 4.16Å; Y82-I89 HydrophobicContact CG-CD1 4.18Å; Y82-I89 HydrophobicContact CG-CG2 4.17Å; Y82-H90 PolarHBondContact O-ND1 2.87Å
83P97.4Very high96.5Very high95 Ų9554.8 Ų54.862%0.61731%0.312SS*.  trans-78.6-15.5-171.731.4-37.2000114.1C79 F81 P85 H90C79-P83 VanDerWaalsContact O-CA 3.26Å; C79-P83 WeakPolarHBondContact O-CA 3.38Å; F81-P83 VanDerWaalsContact C-CD 3.47Å; F81-P83 WeakPolarHBondContact O-CD 3.36Å; P83-P85 WeakPolarHBondContact O-CD 3.41Å; P83-H90 PolarHBondContact O-CE1 3.41Å
84D98.4Very high96.8Very high99 Ų9959 Ų5953%0.52933%0.334SS..  trans-69.2120.1178.6179.52.3000110.6Y82 G86 H87 H90Y82-D84 VanDerWaalsContact C-N 3.34Å; Y82-D84 PolarHBondContact O-N 3.49Å; D84-G86 PolarHBondContact O-N 2.97Å; D84-G86 VanDerWaalsContact O-N 3.14Å; D84-G86 PolarHBondContact OD1-N 2.75Å; D84-H87 HydrophobicContact CB-CB 4.27Å; D84-H87 WeakPolarHBondContact O-CB 3.36Å; D84-H87 PolarHBondContact O-N 2.87Å; D84-H90 WeakPolarHBondContact O-CB 3.37Å
85P97.8Very high97.1Very high90 Ų9059.7 Ų59.758%0.58434%0.335SS*.THydrogen-bonded Turntrans-59.1-22.4175.7-23.735000114.3P83 H87 Q91P83-P85 WeakPolarHBondContact O-CD 3.41Å; P85-H87 VanDerWaalsContact C-N 3.27Å; P85-Q91 VanDerWaalsContact O-CG 3.26Å; P85-Q91 WeakPolarHBondContact O-CG 3.14Å
86G98.3Very high97.1Very high44 Ų4459.6 Ų59.645%0.45433%0.334SS..THydrogen-bonded Turntrans-74.5-15.3173.600000113.9D84 Q91D84-G86 PolarHBondContact O-N 2.97Å; D84-G86 VanDerWaalsContact O-N 3.14Å; D84-G86 PolarHBondContact OD1-N 2.75Å; G86-Q91 PolarHBondContact O-NE2 3Å
87H98.4Very high97.3Very high40 Ų4058.3 Ų58.319%0.18533%0.326CS..SBendtrans-74.8136.2-175.2-163.9-83.5000111.7E21 Y82 D84 P85 I89 H90 Q91E21-H87 IonicContact OE1-CE1 2.7Å; E21-H87 PolarHBondContact OE1-CE1 3.3Å; E21-H87 IonicContact OE1-NE2 2.88Å; E21-H87 PolarHBondContact OE1-NE2 3.32Å; E21-H87 IonicContact OE2-CE1 2.7Å; E21-H87 IonicContact OE2-NE2 3.26Å; Y82-H87 AromaticContact CD1-CE1 3.24Å; Y82-H87 WeakPolarHBondContact CD1-CE1 3.5Å; Y82-H87 AromaticContact CD1-ND1 3.64Å; Y82-H87 AromaticContact CD1-NE2 3.48Å; Y82-H87 WeakPolarHBondContact CD1-NE2 3.32Å; Y82-H87 AromaticContact CE1-CE1 3.75Å; Y82-H87 AromaticContact CE1-NE2 3.97Å; Y82-H87 AromaticContact CG-CE1 3.9Å; Y82-H87 AromaticContact CG-ND1 3.88Å; D84-H87 HydrophobicContact CB-CB 4.27Å; D84-H87 WeakPolarHBondContact O-CB 3.36Å; D84-H87 PolarHBondContact O-N 2.87Å; P85-H87 VanDerWaalsContact C-N 3.27Å; H87-I89 VanDerWaalsContact C-N 3.31Å; H87-I89 PolarHBondContact ND1-N 3.12Å; H87-I89 PolarHBondContact O-N 3.16Å; H87-H90 HydrophobicContact CB-CB 4.23Å; H87-H90 WeakPolarHBondContact O-CA 3.35Å; H87-H90 WeakPolarHBondContact O-CB 3.34Å; H87-H90 PolarHBondContact O-N 3.07Å; H87-Q91 PolarHBondContact O-N 2.98Å
88P98.1Very high97.5Very high64 Ų6459 Ų5942%0.41633%0.328SS..Hα-helixtrans-55-40-177.4-29.135.5000114.8Y25 H90 Q91 L92Y25-P88 HydrophobicContact CD2-CB 4.24Å; Y25-P88 HydrophobicContact CE2-CB 3.97Å; P88-H90 VanDerWaalsContact C-N 3.34Å; P88-H90 PolarHBondContact O-N 3.02Å; P88-Q91 PolarHBondContact O-N 3.46Å; P88-L92 WeakPolarHBondContact O-CB 3.34Å; P88-L92 PolarHBondContact O-N 2.8Å
89I98.2Very high97.6Very high0 Ų060 Ų600%034%0.336CS..Hα-helixtrans-64.4-37.9175.5-70.3175.1000112E21 L24 Y25 L28 A78 Y82 H87 L92 A93E21-I89 HydrophobicContact CG-CD1 3.61Å; L24-I89 HydrophobicContact CD2-CD1 3.97Å; L24-I89 HydrophobicContact CG-CD1 4.2Å; Y25-I89 HydrophobicContact CD2-CG1 3.91Å; Y25-I89 HydrophobicContact CG-CG1 4.49Å; L28-I89 HydrophobicContact CD1-CG2 3.84Å; A78-I89 HydrophobicContact CB-CG2 3.67Å; Y82-I89 HydrophobicContact CD1-CD1 4.33Å; Y82-I89 HydrophobicContact CD2-CB 4.11Å; Y82-I89 HydrophobicContact CD2-CD1 3.77Å; Y82-I89 HydrophobicContact CD2-CG2 3.7Å; Y82-I89 HydrophobicContact CE1-CD1 4.09Å; Y82-I89 HydrophobicContact CE2-CD1 3.55Å; Y82-I89 HydrophobicContact CE2-CG2 4.39Å; Y82-I89 HydrophobicContact CG-CB 4.16Å; Y82-I89 HydrophobicContact CG-CD1 4.18Å; Y82-I89 HydrophobicContact CG-CG2 4.17Å; H87-I89 VanDerWaalsContact C-N 3.31Å; H87-I89 PolarHBondContact ND1-N 3.12Å; H87-I89 PolarHBondContact O-N 3.16Å; I89-L92 PolarHBondContact O-N 3.42Å; I89-A93 PolarHBondContact O-N 3.34Å
90H98.3Very high97.6Very high43 Ų4359.2 Ų59.220%0.19933%0.332CS..Hα-helixtrans-68.8-44.3177.5-161.1107.2000110.8Y82 P83 D84 H87 P88 L92 A93 D94Y82-H90 PolarHBondContact O-ND1 2.87Å; P83-H90 PolarHBondContact O-CE1 3.41Å; D84-H90 WeakPolarHBondContact O-CB 3.37Å; H87-H90 HydrophobicContact CB-CB 4.23Å; H87-H90 WeakPolarHBondContact O-CA 3.35Å; H87-H90 WeakPolarHBondContact O-CB 3.34Å; H87-H90 PolarHBondContact O-N 3.07Å; P88-H90 VanDerWaalsContact C-N 3.34Å; P88-H90 PolarHBondContact O-N 3.02Å; H90-L92 VanDerWaalsContact C-N 3.3Å; H90-L92 PolarHBondContact O-N 3.46Å; H90-A93 WeakPolarHBondContact O-CB 3.39Å; H90-A93 PolarHBondContact O-N 3.45Å; H90-A93 VanDerWaalsContact O-N 3.12Å; H90-D94 PolarHBondContact O-N 3.32Å
91Q98.5Very high97.8Very high87 Ų8756.6 Ų56.641%0.40731%0.311SS..Hα-helixtrans-61.1-39.1175.7-67.3-179.2-1.400112.1P85 G86 H87 P88 A93 D94 Q95P85-Q91 VanDerWaalsContact O-CG 3.26Å; P85-Q91 WeakPolarHBondContact O-CG 3.14Å; G86-Q91 PolarHBondContact O-NE2 3Å; H87-Q91 PolarHBondContact O-N 2.98Å; P88-Q91 PolarHBondContact O-N 3.46Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 2.86Å; Q91-D94 PolarHBondContact O-N 2.85Å; Q91-Q95 WeakPolarHBondContact O-CB 3.31Å; Q91-Q95 WeakPolarHBondContact O-CG 3.37Å; Q91-Q95 PolarHBondContact O-N 2.87Å
92L98.2Very high97.9Very high8 Ų853.4 Ų53.44%0.04230%0.301CS..Hα-helixtrans-64-39.1174.7179.263.8000112Y25 L28 R29 P88 I89 H90 Q96Y25-L92 HydrophobicContact CD2-CD2 4.03Å; Y25-L92 HydrophobicContact CE2-CB 4.2Å; Y25-L92 HydrophobicContact CE2-CD2 3.95Å; L28-L92 HydrophobicContact CB-CD2 3.6Å; R29-L92 HydrophobicContact CB-CD2 4.09Å; P88-L92 WeakPolarHBondContact O-CB 3.34Å; P88-L92 PolarHBondContact O-N 2.8Å; I89-L92 PolarHBondContact O-N 3.42Å; H90-L92 VanDerWaalsContact C-N 3.3Å; H90-L92 PolarHBondContact O-N 3.46Å; L92-Q96 WeakPolarHBondContact O-CB 3.24Å; L92-Q96 PolarHBondContact O-N 3.23Å; L92-Q96 VanDerWaalsContact O-N 3.09Å
93A97.7Very high97.9Very high4 Ų452 Ų523%0.03330%0.295CS..Hα-helixtrans-64.5-46.4174.100000111.6F75 C79 I89 H90 Q91 Q96 K97F75-A93 HydrophobicContact CB-CB 3.75Å; F75-A93 HydrophobicContact CD1-CB 4.42Å; C79-A93 WeakPolarHBondContact SG-CB 3.49Å; I89-A93 PolarHBondContact O-N 3.34Å; H90-A93 WeakPolarHBondContact O-CB 3.39Å; H90-A93 PolarHBondContact O-N 3.45Å; H90-A93 VanDerWaalsContact O-N 3.12Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 2.86Å; A93-Q96 WeakPolarHBondContact O-CB 3.41Å; A93-Q96 PolarHBondContact O-N 3.41Å; A93-K97 WeakPolarHBondContact O-CG 3.37Å; A93-K97 PolarHBondContact O-N 2.96Å
94D97.6Very high97.9Very high98 Ų9847.4 Ų47.452%0.52427%0.266SS..Hα-helixtrans-58.8-49.6177-172.753.9000111.5H90 Q91 Q96 K97 S98H90-D94 PolarHBondContact O-N 3.32Å; Q91-D94 PolarHBondContact O-N 2.85Å; D94-Q96 VanDerWaalsContact C-N 3.26Å; D94-Q96 PolarHBondContact O-N 3.18Å; D94-K97 WeakPolarHBondContact O-CA 3.47Å; D94-K97 WeakPolarHBondContact O-CB 3.36Å; D94-K97 PolarHBondContact O-N 2.94Å; D94-S98 PolarHBondContact O-N 3Å; D94-S98 PolarHBondContact O-OG 3.29Å
95Q98Very high97.9Very high111 Ų11145.4 Ų45.452%0.51925%0.253SS..Hα-helixtrans-54.2-42.4174.7-74.3166.615.600112.2Q91 K97 S98 A99Q91-Q95 WeakPolarHBondContact O-CB 3.31Å; Q91-Q95 WeakPolarHBondContact O-CG 3.37Å; Q91-Q95 PolarHBondContact O-N 2.87Å; Q95-K97 VanDerWaalsContact C-N 3.31Å; Q95-K97 PolarHBondContact O-N 2.93Å; Q95-S98 PolarHBondContact O-N 2.76Å; Q95-A99 WeakPolarHBondContact O-CB 3.48Å; Q95-A99 PolarHBondContact O-N 3.04Å
96Q97.3Very high97.9Very high7 Ų746 Ų463%0.03325%0.248CC..Hα-helixtrans-66.5-33.8178-178.564.14.600112.7S32 F75 L92 A93 D94 A100S32-Q96 PolarHBondContact OG-OE1 3.19Å; F75-Q96 HydrophobicContact CD1-CB 3.91Å; F75-Q96 HydrophobicContact CD1-CG 4.08Å; F75-Q96 HydrophobicContact CD2-CB 4.46Å; F75-Q96 HydrophobicContact CD2-CG 3.81Å; F75-Q96 HydrophobicContact CE1-CB 3.9Å; F75-Q96 HydrophobicContact CE1-CG 3.87Å; F75-Q96 HydrophobicContact CE2-CB 4.48Å; F75-Q96 HydrophobicContact CE2-CG 3.61Å; F75-Q96 HydrophobicContact CG-CB 4.2Å; F75-Q96 HydrophobicContact CG-CG 4.05Å; F75-Q96 HydrophobicContact CZ-CB 4.2Å; F75-Q96 HydrophobicContact CZ-CG 3.63Å; L92-Q96 WeakPolarHBondContact O-CB 3.24Å; L92-Q96 PolarHBondContact O-N 3.23Å; L92-Q96 VanDerWaalsContact O-N 3.09Å; A93-Q96 WeakPolarHBondContact O-CB 3.41Å; A93-Q96 PolarHBondContact O-N 3.41Å; D94-Q96 VanDerWaalsContact C-N 3.26Å; D94-Q96 PolarHBondContact O-N 3.18Å; Q96-A100 PolarHBondContact O-N 2.92Å; Q96-A100 VanDerWaalsContact O-N 3.13Å
97K96.6Very high97.9Very high51 Ų5144.1 Ų44.122%0.22223%0.228CC..Hα-helixtrans-71.9-42.8174.9-62.3-49.3178.4-172.20111.8C73 A93 D94 Q95 A99 A100 Y101 E128C73-K97 PolarHBondContact SG-NZ 3.5Å; A93-K97 WeakPolarHBondContact O-CG 3.37Å; A93-K97 PolarHBondContact O-N 2.96Å; D94-K97 WeakPolarHBondContact O-CA 3.47Å; D94-K97 WeakPolarHBondContact O-CB 3.36Å; D94-K97 PolarHBondContact O-N 2.94Å; Q95-K97 VanDerWaalsContact C-N 3.31Å; Q95-K97 PolarHBondContact O-N 2.93Å; K97-A99 VanDerWaalsContact C-N 3.34Å; K97-A99 PolarHBondContact O-N 3.24Å; K97-A100 PolarHBondContact O-N 3.48Å; K97-Y101 PolarHBondContact O-N 3.39Å; K97-E128 IonicContact NZ-OE1 2.67Å; K97-E128 PolarHBondContact NZ-OE1 3.3Å; K97-E128 IonicContact NZ-OE2 3.33Å; K97-E128 PolarHBondContact NZ-OE2 3.06Å
98S97.7Very high97.9Very high51 Ų5142.2 Ų42.236%0.35722%0.219SC..Hα-helixtrans-58.7-46.3173-52.90000111.1D94 Q95 A100 Y101 D102D94-S98 PolarHBondContact O-N 3Å; D94-S98 PolarHBondContact O-OG 3.29Å; Q95-S98 PolarHBondContact O-N 2.76Å; S98-A100 VanDerWaalsContact C-N 3.31Å; S98-A100 PolarHBondContact O-N 2.64Å; S98-Y101 WeakPolarHBondContact O-CB 3.43Å; S98-Y101 PolarHBondContact O-N 3.43Å; S98-Y101 VanDerWaalsContact O-N 3.16Å; S98-D102 WeakPolarHBondContact O-CB 3.47Å; S98-D102 PolarHBondContact O-N 3.13Å
99A97.5Very high97.8Very high27 Ų2742.5 Ų42.522%0.22322%0.219CC..Hα-helixtrans-64-33.3178.200000113.5Q95 K97 F103Q95-A99 WeakPolarHBondContact O-CB 3.48Å; Q95-A99 PolarHBondContact O-N 3.04Å; K97-A99 VanDerWaalsContact C-N 3.34Å; K97-A99 PolarHBondContact O-N 3.24Å; A99-F103 WeakPolarHBondContact O-CB 3.24Å; A99-F103 PolarHBondContact O-N 3.26Å
100A97Very high97.7Very high11 Ų1147 Ų479%0.09125%0.247CC..Hα-helixtrans-68.4-44173.500000111.6Q96 K97 S98 T104 E124Q96-A100 PolarHBondContact O-N 2.92Å; Q96-A100 VanDerWaalsContact O-N 3.13Å; K97-A100 PolarHBondContact O-N 3.48Å; S98-A100 VanDerWaalsContact C-N 3.31Å; S98-A100 PolarHBondContact O-N 2.64Å; A100-T104 PolarHBondContact O-N 2.83Å; A100-T104 VanDerWaalsContact O-N 3.14Å; A100-T104 PolarHBondContact O-OG1 2.89Å; A100-E124 WeakPolarHBondContact CB-OE2 3.47Å
101Y98.4Very high97.5Very high54 Ų5446.2 Ų46.221%0.21224%0.244CC..Hα-helixtrans-59.4-50.4174174.2-96.4000112.1K97 S98 F103 T104 H105 A117 A120 K121 E124K97-Y101 PolarHBondContact O-N 3.39Å; S98-Y101 WeakPolarHBondContact O-CB 3.43Å; S98-Y101 PolarHBondContact O-N 3.43Å; S98-Y101 VanDerWaalsContact O-N 3.16Å; Y101-F103 VanDerWaalsContact C-N 3.32Å; Y101-F103 PolarHBondContact O-N 3.5Å; Y101-T104 PolarHBondContact O-N 2.88Å; Y101-T104 VanDerWaalsContact O-N 3.15Å; Y101-H105 HydrophobicContact CE1-CB 4.25Å; Y101-H105 VanDerWaalsContact O-CB 3.29Å; Y101-H105 WeakPolarHBondContact O-CB 3.48Å; Y101-H105 PolarHBondContact O-N 3.4Å; Y101-A117 VanDerWaalsContact OH-CA 3.3Å; Y101-A117 WeakPolarHBondContact OH-CA 3.3Å; Y101-A117 WeakPolarHBondContact OH-CB 3.35Å; Y101-A117 PolarHBondContact OH-O 3.37Å; Y101-A120 HydrophobicContact CD2-CB 3.77Å; Y101-A120 HydrophobicContact CE2-CB 3.37Å; Y101-K121 HydrophobicContact CD2-CG 4.37Å; Y101-K121 HydrophobicContact CE2-CG 3.75Å; Y101-E124 HydrophobicContact CD2-CG 4.35Å
102D98.3Very high97.3Very high91 Ų9149.1 Ų49.149%0.48726%0.258SS..Hα-helixtrans-60.3-42.9-177.1-68.8-22.3000111.4S98 H105 E106S98-D102 WeakPolarHBondContact O-CB 3.47Å; S98-D102 PolarHBondContact O-N 3.13Å; D102-H105 PolarHBondContact O-N 3.44Å; D102-E106 WeakPolarHBondContact O-CB 3.43Å; D102-E106 PolarHBondContact O-N 3.16Å
103F98.1Very high97.1Very high16 Ų1649 Ų497%0.0726%0.258CS..Hα-helixtrans-59.7-47.1174.7167.8-99.9000112.3R39 L42 M43 A99 Y101 L107R39-F103 HydrophobicContact CB-CD2 3.97Å; R39-F103 HydrophobicContact CB-CE2 4.12Å; R39-F103 HydrophobicContact CB-CG 4.47Å; R39-F103 HydrophobicContact CG-CD1 4.24Å; R39-F103 HydrophobicContact CG-CD2 3.97Å; R39-F103 HydrophobicContact CG-CE1 4.44Å; R39-F103 HydrophobicContact CG-CE2 4.18Å; R39-F103 HydrophobicContact CG-CG 4Å; R39-F103 HydrophobicContact CG-CZ 4.41Å; L42-F103 HydrophobicContact CD2-CZ 3.9Å; M43-F103 HydrophobicContact CG-CD2 4.08Å; M43-F103 HydrophobicContact CG-CE2 3.77Å; M43-F103 HydrophobicContact SD-CD2 4Å; M43-F103 HydrophobicContact SD-CE2 3.6Å; M43-F103 VanDerWaalsContact SD-CE2 3.6Å; A99-F103 WeakPolarHBondContact O-CB 3.24Å; A99-F103 PolarHBondContact O-N 3.26Å; Y101-F103 VanDerWaalsContact C-N 3.32Å; Y101-F103 PolarHBondContact O-N 3.5Å; F103-L107 HydrophobicContact CD1-CD1 4.4Å; F103-L107 HydrophobicContact CD2-CD1 4.4Å; F103-L107 HydrophobicContact CE1-CD1 3.76Å; F103-L107 HydrophobicContact CE2-CD1 3.77Å; F103-L107 HydrophobicContact CZ-CD1 3.4Å; F103-L107 PolarHBondContact O-N 3.39Å
104T98.4Very high96.8Very high0 Ų052.5 Ų52.50%028%0.276CS..Hα-helixtrans-63.9-44.1177.3-660000110.9L54 R57 A100 Y101 L107 L108 A120 M123 E124L54-T104 HydrophobicContact CD2-CG2 3.81Å; R57-T104 PolarHBondContact NH1-OG1 3.38Å; R57-T104 PolarHBondContact NH2-OG1 3.24Å; A100-T104 PolarHBondContact O-N 2.83Å; A100-T104 VanDerWaalsContact O-N 3.14Å; A100-T104 PolarHBondContact O-OG1 2.89Å; Y101-T104 PolarHBondContact O-N 2.88Å; Y101-T104 VanDerWaalsContact O-N 3.15Å; T104-L107 PolarHBondContact O-N 3.47Å; T104-L108 HydrophobicContact CG2-CD1 3.73Å; T104-L108 HydrophobicContact CG2-CG 4.41Å; T104-L108 WeakPolarHBondContact O-CB 3.28Å; T104-L108 VanDerWaalsContact O-CG 3.24Å; T104-L108 WeakPolarHBondContact O-CG 3.47Å; T104-L108 PolarHBondContact O-N 3.31Å; T104-A120 HydrophobicContact CG2-CB 3.87Å; T104-M123 HydrophobicContact CG2-CB 4.08Å; T104-M123 HydrophobicContact CG2-SD 4.07Å; T104-E124 WeakPolarHBondContact CB-OE1 3.36Å; T104-E124 PolarHBondContact OG1-OE1 3.29Å
105H98.4Very high96.7Very high56 Ų5651.7 Ų51.726%0.25927%0.271SS..Hα-helixtrans-63-41.4179.4-178.1-96.9000112.4Y101 D102 L108 T109 A120Y101-H105 HydrophobicContact CE1-CB 4.25Å; Y101-H105 VanDerWaalsContact O-CB 3.29Å; Y101-H105 WeakPolarHBondContact O-CB 3.48Å; Y101-H105 PolarHBondContact O-N 3.4Å; D102-H105 PolarHBondContact O-N 3.44Å; H105-L108 PolarHBondContact O-N 2.78Å; H105-T109 PolarHBondContact CE1-OG1 3.46Å; H105-T109 WeakPolarHBondContact O-CB 3.35Å; H105-T109 PolarHBondContact O-N 2.96Å; H105-T109 PolarHBondContact O-OG1 3.29Å; H105-A120 HydrophobicContact CB-CB 4.05Å
106E97.9Very high96.6Very high104 Ų10447.9 Ų47.949%0.48626%0.256SS..Hα-helixtrans-61.3-46177.2-176.4179.3178.300111.9M43 D102 T109 T110M43-E106 HydrophobicContact CE-CG 4.14Å; M43-E106 WeakPolarHBondContact CE-OE1 3.01Å; D102-E106 WeakPolarHBondContact O-CB 3.43Å; D102-E106 PolarHBondContact O-N 3.16Å; E106-T109 PolarHBondContact O-N 3.17Å; E106-T110 PolarHBondContact O-N 3.19Å; E106-T110 PolarHBondContact O-OG1 2.76Å
107L97.9Very high96.6Very high4 Ų449 Ų492%0.02127%0.267CS..Hα-helixtrans-65.4-42.5176.7-74.9169.7000111.9M43 A50 K53 L54 F103 T104 T109 T110 L111M43-L107 HydrophobicContact CE-CD2 4.18Å; M43-L107 HydrophobicContact SD-CD1 4.22Å; M43-L107 HydrophobicContact SD-CD2 3.66Å; M43-L107 HydrophobicContact SD-CG 3.86Å; A50-L107 HydrophobicContact CB-CD2 3.94Å; K53-L107 HydrophobicContact CB-CD1 3.79Å; K53-L107 HydrophobicContact CB-CD2 4.03Å; K53-L107 HydrophobicContact CD-CD2 4.04Å; L54-L107 HydrophobicContact CD1-CB 4.19Å; L54-L107 HydrophobicContact CD2-CB 3.74Å; L54-L107 HydrophobicContact CD2-CD1 3.86Å; L54-L107 HydrophobicContact CD2-CG 4.46Å; L54-L107 HydrophobicContact CG-CB 3.73Å; L54-L107 HydrophobicContact CG-CD1 3.86Å; L54-L107 HydrophobicContact CG-CG 4.43Å; F103-L107 HydrophobicContact CD1-CD1 4.4Å; F103-L107 HydrophobicContact CD2-CD1 4.4Å; F103-L107 HydrophobicContact CE1-CD1 3.76Å; F103-L107 HydrophobicContact CE2-CD1 3.77Å; F103-L107 HydrophobicContact CZ-CD1 3.4Å; F103-L107 PolarHBondContact O-N 3.39Å; T104-L107 PolarHBondContact O-N 3.47Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3.07Å; L107-T110 WeakPolarHBondContact O-CB 3.34Å; L107-T110 PolarHBondContact O-N 3.25Å; L107-L111 WeakPolarHBondContact O-CG 2.92Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-L111 VanDerWaalsContact O-N 3.07Å
108L97.7Very high96.7Very high0 Ų050.9 Ų50.90%028%0.278CS..Hα-helixtrans-65.1-36.7176.7-71.4168.9000112.2L54 T104 H105 T110 L111 E112 V113 P116 V119 A120 M123 L154L54-L108 HydrophobicContact CD1-CD2 3.65Å; L54-L108 HydrophobicContact CD1-CG 4.03Å; L54-L108 HydrophobicContact CD2-CG 4.38Å; T104-L108 HydrophobicContact CG2-CD1 3.73Å; T104-L108 HydrophobicContact CG2-CG 4.41Å; T104-L108 WeakPolarHBondContact O-CB 3.28Å; T104-L108 VanDerWaalsContact O-CG 3.24Å; T104-L108 WeakPolarHBondContact O-CG 3.47Å; T104-L108 PolarHBondContact O-N 3.31Å; H105-L108 PolarHBondContact O-N 2.78Å; L108-T110 VanDerWaalsContact C-N 3.35Å; L108-L111 CarbonylContact O-C 3.57Å; L108-L111 PolarHBondContact O-N 3.12Å; L108-E112 PolarHBondContact O-N 2.98Å; L108-V113 HydrophobicContact CB-CG2 3.89Å; L108-V113 HydrophobicContact CD2-CG1 4.32Å; L108-V113 HydrophobicContact CD2-CG2 4.05Å; L108-V113 HydrophobicContact CG-CG2 4.49Å; L108-V113 PolarHBondContact O-N 3.39Å; L108-P116 HydrophobicContact CB-CB 3.91Å; L108-V119 HydrophobicContact CD1-CB 3.92Å; L108-V119 HydrophobicContact CD1-CG1 3.66Å; L108-V119 HydrophobicContact CD2-CG1 3.75Å; L108-V119 HydrophobicContact CG-CG1 4.36Å; L108-A120 HydrophobicContact CD1-CB 3.82Å; L108-M123 HydrophobicContact CD1-SD 4.13Å; L108-M123 HydrophobicContact CD2-SD 4.17Å; L108-L154 HydrophobicContact CD2-CD1 3.67Å
109T96.6Very high96.7Very high69 Ų6948.7 Ų48.742%0.42326%0.262SS..Hα-helixtrans-64.3-42.1174.4-58.50000110.8H105 E106 L107 L111 E112H105-T109 PolarHBondContact CE1-OG1 3.46Å; H105-T109 WeakPolarHBondContact O-CB 3.35Å; H105-T109 PolarHBondContact O-N 2.96Å; H105-T109 PolarHBondContact O-OG1 3.29Å; E106-T109 PolarHBondContact O-N 3.17Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3.07Å; T109-L111 PolarHBondContact O-N 3.32Å; T109-E112 WeakPolarHBondContact O-CA 3.36Å; T109-E112 PolarHBondContact O-N 2.94Å
110T95Very high96.7Very high94 Ų9447.4 Ų47.458%0.57725%0.251SS*.Hα-helixtrans-61.3-31.8174.3-57.50000112.5E106 L107 L108 E112E106-T110 PolarHBondContact O-N 3.19Å; E106-T110 PolarHBondContact O-OG1 2.76Å; L107-T110 WeakPolarHBondContact O-CB 3.34Å; L107-T110 PolarHBondContact O-N 3.25Å; L108-T110 VanDerWaalsContact C-N 3.35Å; T110-E112 PolarHBondContact O-N 2.94Å
111L95Very high96.8Very high27 Ų2752.5 Ų52.514%0.14127%0.272CS..THydrogen-bonded Turntrans-80.6-3.5175.2-67.7171.3000113.5A50 E51 L54 L107 L108 T109 V113 L154A50-L111 HydrophobicContact CB-CD1 4.12Å; A50-L111 HydrophobicContact CB-CD2 3.68Å; A50-L111 HydrophobicContact CB-CG 3.76Å; E51-L111 VanDerWaalsContact CD-CD2 3.46Å; E51-L111 HydrophobicContact CG-CD1 3.86Å; E51-L111 HydrophobicContact CG-CD2 4.07Å; E51-L111 WeakPolarHBondContact OE1-CD2 3.33Å; L54-L111 HydrophobicContact CD1-CD1 3.79Å; L107-L111 WeakPolarHBondContact O-CG 2.92Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-L111 VanDerWaalsContact O-N 3.07Å; L108-L111 CarbonylContact O-C 3.57Å; L108-L111 PolarHBondContact O-N 3.12Å; T109-L111 PolarHBondContact O-N 3.32Å; L111-V113 HydrophobicContact CB-CG1 3.87Å; L111-V113 PolarHBondContact O-N 2.96Å; L111-V113 VanDerWaalsContact O-N 3.15Å; L111-L154 HydrophobicContact CD1-CD1 4.04Å
112E94.7Very high96.8Very high148 Ų14853.3 Ų53.369%0.69228%0.277SS*.THydrogen-bonded Turntrans54.230.5-179.3-56.6-176.7119.900113.5L108 T109 T110 Q161L108-E112 PolarHBondContact O-N 2.98Å; T109-E112 WeakPolarHBondContact O-CA 3.36Å; T109-E112 PolarHBondContact O-N 2.94Å; T110-E112 PolarHBondContact O-N 2.94Å; E112-Q161 WeakPolarHBondContact O-CG 3.45Å; E112-Q161 PolarHBondContact O-NE2 3.07Å; E112-Q161 PolarHBondContact O-OE1 3.3Å
113V94.2Very high96.8Very high7 Ų749 Ų494%0.04225%0.254CS..  trans-64.2155.6-179.5-56.40000111.4L108 L111 D115 P116 V119 L154 A157 R158L108-V113 HydrophobicContact CB-CG2 3.89Å; L108-V113 HydrophobicContact CD2-CG1 4.32Å; L108-V113 HydrophobicContact CD2-CG2 4.05Å; L108-V113 HydrophobicContact CG-CG2 4.49Å; L108-V113 PolarHBondContact O-N 3.39Å; L111-V113 HydrophobicContact CB-CG1 3.87Å; L111-V113 PolarHBondContact O-N 2.96Å; L111-V113 VanDerWaalsContact O-N 3.15Å; V113-D115 PolarHBondContact O-N 3.03Å; V113-P116 HydrophobicContact CG2-CB 3.93Å; V113-P116 WeakPolarHBondContact O-CD 3.39Å; V113-V119 HydrophobicContact CG2-CG2 4.47Å; V113-L154 HydrophobicContact CG1-CD1 4.45Å; V113-A157 HydrophobicContact CB-CB 4.01Å; V113-A157 HydrophobicContact CG1-CB 4.28Å; V113-A157 HydrophobicContact CG2-CB 4.49Å; V113-R158 HydrophobicContact CG1-CG 4.07Å
114D90.9Very high96.8Very high77 Ų7749.2 Ų49.241%0.41226%0.255SS..SBendtrans-64.7132.8170.3-178.846.5000111V119 R160D114-V119 WeakPolarHBondContact O-CG2 3.32Å; D114-R160 HydrophobicContact CB-CB 3.96Å
115D94.3Very high96.7Very high80 Ų8055.5 Ų55.543%0.42829%0.288SS..SBendtrans41.967.4-177.1-167.2-8.2000113.8V113 A117 M118 V119V113-D115 PolarHBondContact O-N 3.03Å; D115-A117 PolarHBondContact O-N 2.99Å; D115-A117 VanDerWaalsContact O-N 3.08Å; D115-M118 HydrophobicContact CB-CB 4.21Å; D115-M118 PolarHBondContact O-N 2.92Å; D115-M118 VanDerWaalsContact O-N 3.11Å; D115-M118 WeakPolarHBondContact OD1-CB 3.47Å; D115-M118 PolarHBondContact OD1-N 3.08Å; D115-M118 WeakPolarHBondContact OD2-CB 3.32Å; D115-V119 WeakPolarHBondContact O-CG2 3.32Å; D115-V119 PolarHBondContact O-N 3.15Å
116P97.1Very high96.7Very high31 Ų3153.9 Ų53.920%0.20128%0.282CS..Hα-helixtrans-59.1-27.6-177.725.2-33.6000111.9L108 V113 A120L108-P116 HydrophobicContact CB-CB 3.91Å; V113-P116 HydrophobicContact CG2-CB 3.93Å; V113-P116 WeakPolarHBondContact O-CD 3.39Å; P116-A120 WeakPolarHBondContact O-CB 3.42Å; P116-A120 PolarHBondContact O-N 3.39Å
117A97.9Very high96.7Very high32 Ų3249.9 Ų49.926%0.26426%0.264SS..Hα-helixtrans-66-44.9177.900000112.5Y101 D115 K121Y101-A117 VanDerWaalsContact OH-CA 3.3Å; Y101-A117 WeakPolarHBondContact OH-CA 3.3Å; Y101-A117 WeakPolarHBondContact OH-CB 3.35Å; Y101-A117 PolarHBondContact OH-O 3.37Å; D115-A117 PolarHBondContact O-N 2.99Å; D115-A117 VanDerWaalsContact O-N 3.08Å; A117-K121 WeakPolarHBondContact O-CG 3.43Å; A117-K121 PolarHBondContact O-N 3.48Å
118M97.1Very high96.5Very high90 Ų9051.2 Ų51.244%0.44327%0.27SS..Hα-helixtrans-69.6-44175.1179.861.881.200111.6D115 A120 K121 Q122D115-M118 HydrophobicContact CB-CB 4.21Å; D115-M118 PolarHBondContact O-N 2.92Å; D115-M118 VanDerWaalsContact O-N 3.11Å; D115-M118 WeakPolarHBondContact OD1-CB 3.47Å; D115-M118 PolarHBondContact OD1-N 3.08Å; D115-M118 WeakPolarHBondContact OD2-CB 3.32Å; M118-A120 VanDerWaalsContact C-N 3.3Å; M118-A120 PolarHBondContact O-N 3.38Å; M118-K121 WeakPolarHBondContact O-CB 3.44Å; M118-K121 PolarHBondContact O-N 3.25Å; M118-K121 VanDerWaalsContact O-N 3.14Å; M118-Q122 WeakPolarHBondContact O-CG 3.43Å; M118-Q122 PolarHBondContact O-N 2.8Å
119V97.8Very high96.4Very high5 Ų552.9 Ų52.93%0.0329%0.287CS..Hα-helixtrans-61-42179.9179.20000110.5L108 V113 D114 D115 K121 Q122 M123 I153 A157L108-V119 HydrophobicContact CD1-CB 3.92Å; L108-V119 HydrophobicContact CD1-CG1 3.66Å; L108-V119 HydrophobicContact CD2-CG1 3.75Å; L108-V119 HydrophobicContact CG-CG1 4.36Å; V113-V119 HydrophobicContact CG2-CG2 4.47Å; D114-V119 WeakPolarHBondContact O-CG2 3.32Å; D115-V119 WeakPolarHBondContact O-CG2 3.32Å; D115-V119 PolarHBondContact O-N 3.15Å; V119-K121 PolarHBondContact O-N 2.86Å; V119-Q122 WeakPolarHBondContact O-CB 3.49Å; V119-Q122 PolarHBondContact O-N 2.95Å; V119-M123 HydrophobicContact CG1-SD 4.28Å; V119-M123 WeakPolarHBondContact O-CG 3.43Å; V119-M123 PolarHBondContact O-N 2.8Å; V119-I153 HydrophobicContact CG1-CG2 3.76Å; V119-A157 HydrophobicContact CG1-CB 4.08Å; V119-A157 HydrophobicContact CG2-CB 3.66Å
120A98.5Very high96.4Very high0 Ų049.8 Ų49.80%027%0.269CS..Hα-helixtrans-59.1-46.5174.100000111.9Y101 T104 H105 L108 P116 M118 Q122 M123 E124Y101-A120 HydrophobicContact CD2-CB 3.77Å; Y101-A120 HydrophobicContact CE2-CB 3.37Å; T104-A120 HydrophobicContact CG2-CB 3.87Å; H105-A120 HydrophobicContact CB-CB 4.05Å; L108-A120 HydrophobicContact CD1-CB 3.82Å; P116-A120 WeakPolarHBondContact O-CB 3.42Å; P116-A120 PolarHBondContact O-N 3.39Å; M118-A120 VanDerWaalsContact C-N 3.3Å; M118-A120 PolarHBondContact O-N 3.38Å; A120-Q122 VanDerWaalsContact C-N 3.29Å; A120-Q122 PolarHBondContact O-N 3.13Å; A120-M123 PolarHBondContact O-N 2.98Å; A120-E124 WeakPolarHBondContact O-CG 3.47Å; A120-E124 PolarHBondContact O-N 3.24Å
121K98.3Very high96.4Very high118 Ų11846.3 Ų46.351%0.51325%0.246SC..Hα-helixtrans-58-42.2176.4-73.9174.4-178.1172.80112Y101 A117 M118 V119 L125Y101-K121 HydrophobicContact CD2-CG 4.37Å; Y101-K121 HydrophobicContact CE2-CG 3.75Å; A117-K121 WeakPolarHBondContact O-CG 3.43Å; A117-K121 PolarHBondContact O-N 3.48Å; M118-K121 WeakPolarHBondContact O-CB 3.44Å; M118-K121 PolarHBondContact O-N 3.25Å; M118-K121 VanDerWaalsContact O-N 3.14Å; V119-K121 PolarHBondContact O-N 2.86Å; K121-L125 WeakPolarHBondContact O-CB 3.33Å; K121-L125 WeakPolarHBondContact O-CG 3.38Å; K121-L125 PolarHBondContact O-N 3.43Å
122Q98.3Very high96.2Very high71 Ų7148.3 Ų48.333%0.33226%0.263SS..Hα-helixtrans-63.5-47178-68.7174.1-24.800111.3M118 V119 A120 E124 L125 V126 I153M118-Q122 WeakPolarHBondContact O-CG 3.43Å; M118-Q122 PolarHBondContact O-N 2.8Å; V119-Q122 WeakPolarHBondContact O-CB 3.49Å; V119-Q122 PolarHBondContact O-N 2.95Å; A120-Q122 VanDerWaalsContact C-N 3.29Å; A120-Q122 PolarHBondContact O-N 3.13Å; Q122-E124 PolarHBondContact O-N 3.2Å; Q122-L125 PolarHBondContact O-N 3.18Å; Q122-V126 WeakPolarHBondContact O-CG2 3.42Å; Q122-V126 PolarHBondContact O-N 3.34Å; Q122-I153 HydrophobicContact CB-CD1 4.08Å; Q122-I153 HydrophobicContact CB-CG2 4.35Å
123M98.4Very high96.2Very high0 Ų047.6 Ų47.60%025%0.254CS..Hα-helixtrans-64.1-39.9179.2-68.1-175.277.100112.4L54 T104 L108 V119 A120 V126 L127 A150 I153L54-M123 HydrophobicContact CB-CE 4.15Å; L54-M123 HydrophobicContact CD2-CE 4.24Å; L54-M123 HydrophobicContact CD2-SD 4.45Å; T104-M123 HydrophobicContact CG2-CB 4.08Å; T104-M123 HydrophobicContact CG2-SD 4.07Å; L108-M123 HydrophobicContact CD1-SD 4.13Å; L108-M123 HydrophobicContact CD2-SD 4.17Å; V119-M123 HydrophobicContact CG1-SD 4.28Å; V119-M123 WeakPolarHBondContact O-CG 3.43Å; V119-M123 PolarHBondContact O-N 2.8Å; A120-M123 PolarHBondContact O-N 2.98Å; M123-V126 PolarHBondContact O-N 3.43Å; M123-L127 PolarHBondContact O-N 3.36Å; M123-A150 HydrophobicContact CE-CB 4.2Å; M123-I153 HydrophobicContact CG-CG2 3.9Å
124E98Very high96Very high20 Ų2047.3 Ų47.39%0.09325%0.252CS..Hα-helixtrans-65.2-41.8174.9-66.4-45.4118.300111.5R57 A100 Y101 T104 A120 Q122 V126 L127 E128R57-E124 IonicContact NH1-OE1 3.89Å; R57-E124 PolarHBondContact NH1-OE1 2.85Å; A100-E124 WeakPolarHBondContact CB-OE2 3.47Å; Y101-E124 HydrophobicContact CD2-CG 4.35Å; T104-E124 WeakPolarHBondContact CB-OE1 3.36Å; T104-E124 PolarHBondContact OG1-OE1 3.29Å; A120-E124 WeakPolarHBondContact O-CG 3.47Å; A120-E124 PolarHBondContact O-N 3.24Å; Q122-E124 PolarHBondContact O-N 3.2Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.32Å; E124-L127 PolarHBondContact O-N 3.16Å; E124-E128 WeakPolarHBondContact O-CG 3.38Å; E124-E128 PolarHBondContact O-N 3.47Å
125L97.7Very high95.8Very high132 Ų13248.1 Ų48.169%0.69126%0.255SS*.Hα-helixtrans-59.6-39.6174.6-76.6172.1000112.5K121 Q122 G129K121-L125 WeakPolarHBondContact O-CB 3.33Å; K121-L125 WeakPolarHBondContact O-CG 3.38Å; K121-L125 PolarHBondContact O-N 3.43Å; Q122-L125 PolarHBondContact O-N 3.18Å; L125-G129 PolarHBondContact O-N 2.8Å
126V97.9Very high95.6Very high22 Ų2249.7 Ų49.713%0.13327%0.268CS..Hα-helixtrans-64.7-45.4175.7172.90000111.2Q122 M123 E124 G129 C130 A146 L149 I153Q122-V126 WeakPolarHBondContact O-CG2 3.42Å; Q122-V126 PolarHBondContact O-N 3.34Å; M123-V126 PolarHBondContact O-N 3.43Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.32Å; V126-G129 PolarHBondContact O-N 2.97Å; V126-C130 WeakPolarHBondContact O-CB 3.41Å; V126-C130 PolarHBondContact O-N 2.95Å; V126-A146 HydrophobicContact CG1-CB 3.89Å; V126-A146 WeakPolarHBondContact CG1-O 3.33Å; V126-L149 HydrophobicContact CB-CD2 4.48Å; V126-L149 HydrophobicContact CG1-CB 4.26Å; V126-L149 HydrophobicContact CG1-CD2 4.1Å; V126-L149 HydrophobicContact CG1-CG 4.35Å; V126-L149 HydrophobicContact CG2-CD2 3.52Å; V126-L149 HydrophobicContact CG2-CG 3.87Å; V126-I153 HydrophobicContact CG2-CD1 3.76Å
127L96.7Very high95.3Very high20 Ų2051.8 Ų51.811%0.10528%0.278CS..Hα-helixtrans-60.5-47.7177.717964.3000111.7R57 Y58 L61 M123 E124 G129 C130 L131R57-L127 HydrophobicContact CG-CD1 4.17Å; Y58-L127 HydrophobicContact CE1-CD1 4.27Å; L61-L127 HydrophobicContact CD1-CD1 3.86Å; M123-L127 PolarHBondContact O-N 3.36Å; E124-L127 PolarHBondContact O-N 3.16Å; L127-G129 PolarHBondContact O-N 3.29Å; L127-C130 WeakPolarHBondContact O-CB 3.12Å; L127-C130 PolarHBondContact O-N 2.86Å; L127-L131 HydrophobicContact CD1-CD1 4.4Å; L127-L131 HydrophobicContact CD1-CG 4.47Å; L127-L131 HydrophobicContact CG-CD1 4.14Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 3.41Å
128E95.3Very high95Very high32 Ų3257.8 Ų57.815%0.1529%0.293CS..Hα-helixtrans-65.4-39.1179-65.1-48142.300112.2I76 K97 E124 C130 L131 S132I76-E128 HydrophobicContact CD1-CB 4.43Å; I76-E128 HydrophobicContact CD1-CG 4.39Å; I76-E128 WeakPolarHBondContact CD1-OE2 3.37Å; K97-E128 IonicContact NZ-OE1 2.67Å; K97-E128 PolarHBondContact NZ-OE1 3.3Å; K97-E128 IonicContact NZ-OE2 3.33Å; K97-E128 PolarHBondContact NZ-OE2 3.06Å; E124-E128 WeakPolarHBondContact O-CG 3.38Å; E124-E128 PolarHBondContact O-N 3.47Å; E128-C130 VanDerWaalsContact C-N 3.32Å; E128-C130 PolarHBondContact O-N 2.88Å; E128-L131 PolarHBondContact O-N 3.38Å; E128-S132 VanDerWaalsContact O-CB 3.32Å; E128-S132 WeakPolarHBondContact O-CB 3.45Å; E128-S132 PolarHBondContact O-N 3.05Å
129G95.1Very high94.7Very high35 Ų3555.3 Ų55.336%0.36129%0.285SS..Hα-helixtrans-59.4-43.1172.600000112.2L125 V126 L127 R133L125-G129 PolarHBondContact O-N 2.8Å; V126-G129 PolarHBondContact O-N 2.97Å; L127-G129 PolarHBondContact O-N 3.29Å; G129-R133 WeakPolarHBondContact O-CG 3.45Å; G129-R133 PolarHBondContact O-N 2.92Å
130C96.1Very high94.5Very high5 Ų557.5 Ų57.53%0.03430%0.295CS..Hα-helixtrans-60.8-54.8175-175.50000111.4V126 L127 E128 S132 R133 M134 A146V126-C130 WeakPolarHBondContact O-CB 3.41Å; V126-C130 PolarHBondContact O-N 2.95Å; L127-C130 WeakPolarHBondContact O-CB 3.12Å; L127-C130 PolarHBondContact O-N 2.86Å; E128-C130 VanDerWaalsContact C-N 3.32Å; E128-C130 PolarHBondContact O-N 2.88Å; C130-S132 VanDerWaalsContact C-N 3.29Å; C130-S132 PolarHBondContact O-N 3.19Å; C130-R133 PolarHBondContact O-N 3.34Å; C130-R133 VanDerWaalsContact O-N 3.12Å; C130-M134 WeakPolarHBondContact O-CG 3.37Å; C130-M134 PolarHBondContact O-N 3.13Å; C130-A146 HydrophobicContact CB-CB 3.56Å
131L94.8Very high94.4Very high21 Ų2160 Ų6011%0.1132%0.316CS..Hα-helixtrans-56.6-42.8179.3-73171.4000111.7L61 P71 G72 C73 L127 E128 M134L61-L131 HydrophobicContact CD1-CD2 4.26Å; L61-L131 HydrophobicContact CD2-CD2 3.65Å; P71-L131 WeakPolarHBondContact O-CD2 3.06Å; G72-L131 WeakPolarHBondContact CA-O 3.5Å; C73-L131 HydrophobicContact CB-CB 4.15Å; C73-L131 HydrophobicContact CB-CD1 4.13Å; L127-L131 HydrophobicContact CD1-CD1 4.4Å; L127-L131 HydrophobicContact CD1-CG 4.47Å; L127-L131 HydrophobicContact CG-CD1 4.14Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 3.41Å; E128-L131 PolarHBondContact O-N 3.38Å; L131-M134 PolarHBondContact O-N 3.27Å
132S92.2Very high94.2Very high69 Ų6955.3 Ų55.348%0.48330%0.296SS..Hα-helixtrans-63.4-43.7177.1-171.50000112E128 C130 M134 L135E128-S132 VanDerWaalsContact O-CB 3.32Å; E128-S132 WeakPolarHBondContact O-CB 3.45Å; E128-S132 PolarHBondContact O-N 3.05Å; C130-S132 VanDerWaalsContact C-N 3.29Å; C130-S132 PolarHBondContact O-N 3.19Å; S132-M134 VanDerWaalsContact C-N 3.31Å; S132-M134 PolarHBondContact O-N 3.45Å; S132-L135 PolarHBondContact O-N 3.36Å
133R92.8Very high94.2Very high133 Ų13351.9 Ų51.950%0.50228%0.28SS..Hα-helixtrans-67.2-30.9178.8-75.2178.666.3103-2.8112.8G129 C130 L135 V136 N137 D142G129-R133 WeakPolarHBondContact O-CG 3.45Å; G129-R133 PolarHBondContact O-N 2.92Å; C130-R133 PolarHBondContact O-N 3.34Å; C130-R133 VanDerWaalsContact O-N 3.12Å; R133-L135 PolarHBondContact O-N 3.08Å; R133-V136 PolarHBondContact O-N 2.94Å; R133-N137 PolarHBondContact NH2-ND2 2.93Å; R133-N137 VanDerWaalsContact NH2-ND2 3.18Å; R133-N137 PolarHBondContact O-N 3.34Å; R133-D142 IonicContact CZ-OD1 2.95Å; R133-D142 VanDerWaalsContact CZ-OD1 3.26Å; R133-D142 IonicContact NE-OD1 3.34Å; R133-D142 PolarHBondContact NE-OD1 3.5Å; R133-D142 IonicContact NE-OD2 3.57Å; R133-D142 IonicContact NH2-OD1 3.21Å; R133-D142 PolarHBondContact NH2-OD1 3Å; R133-D142 IonicContact NH2-OD2 3.18Å
134M90.7Very high94.1Very high0 Ų055.9 Ų55.90%030%0.301CS..Hα-helixtrans-59.6-30.5176.7-72.1177.676.700113L61 V65 P71 C130 L131 S132 V136 R138 V143L61-M134 HydrophobicContact CD1-SD 4.48Å; L61-M134 HydrophobicContact CD2-SD 4.17Å; V65-M134 HydrophobicContact CG2-CE 3.38Å; P71-M134 HydrophobicContact CG-CE 4.24Å; C130-M134 WeakPolarHBondContact O-CG 3.37Å; C130-M134 PolarHBondContact O-N 3.13Å; L131-M134 PolarHBondContact O-N 3.27Å; S132-M134 VanDerWaalsContact C-N 3.31Å; S132-M134 PolarHBondContact O-N 3.45Å; M134-V136 PolarHBondContact O-N 3.29Å; M134-R138 WeakPolarHBondContact O-CA 3.46Å; M134-R138 WeakPolarHBondContact O-CG 3.32Å; M134-R138 PolarHBondContact O-N 2.96Å; M134-V143 HydrophobicContact CE-CG2 4.25Å; M134-V143 HydrophobicContact SD-CG2 4.04Å
135L87.8Confident94.1Very high94 Ų9459.3 Ų59.349%0.49232%0.324SS..Hα-helixtrans-66.7-26.1175-69.2176.8000113.4G72 S132 R133G72-L135 VanDerWaalsContact CA-CG 3.49Å; S132-L135 PolarHBondContact O-N 3.36Å; R133-L135 PolarHBondContact O-N 3.08Å
136V90.2Very high94.1Very high114 Ų11453.4 Ų53.469%0.69129%0.294SS*.Hα-helixtrans-97.9-59.8-176.3-1760000110.3R133 M134R133-V136 PolarHBondContact O-N 2.94Å; M134-V136 PolarHBondContact O-N 3.29Å
137N89.8Confident94.1Very high75 Ų7554.3 Ų54.340%0.40130%0.296SS..Hα-helixtrans-89.2-24.1-167.4-64.5-20.5000113.5R133 S139 D142R133-N137 PolarHBondContact NH2-ND2 2.93Å; R133-N137 VanDerWaalsContact NH2-ND2 3.18Å; R133-N137 PolarHBondContact O-N 3.34Å; N137-S139 PolarHBondContact O-N 3.41Å; N137-D142 VanDerWaalsContact CB-OD2 3.24Å; N137-D142 WeakPolarHBondContact CB-OD2 3.44Å; N137-D142 PolarHBondContact ND2-OD2 3.49Å
138R91.1Very high94.2Very high158 Ų15861.3 Ų61.360%0.59632%0.321SS*.  trans50.143.7-178.1-61.5-175.4-179.6-172.61.2112.7Y70 M134Y70-R138 VanDerWaalsContact CD1-CA 3.4Å; Y70-R138 HydrophobicContact CD1-CB 3.53Å; Y70-R138 HydrophobicContact CD1-CG 3.98Å; Y70-R138 HydrophobicContact CD2-CB 3.93Å; Y70-R138 HydrophobicContact CD2-CG 3.76Å; Y70-R138 VanDerWaalsContact CE1-C 3.42Å; Y70-R138 HydrophobicContact CE1-CB 3.53Å; Y70-R138 HydrophobicContact CE1-CG 4.37Å; Y70-R138 WeakPolarHBondContact CE1-O 3.46Å; Y70-R138 HydrophobicContact CE2-CB 3.94Å; Y70-R138 HydrophobicContact CE2-CG 4.17Å; Y70-R138 HydrophobicContact CG-CB 3.71Å; Y70-R138 HydrophobicContact CG-CG 3.63Å; M134-R138 WeakPolarHBondContact O-CA 3.46Å; M134-R138 WeakPolarHBondContact O-CG 3.32Å; M134-R138 PolarHBondContact O-N 2.96Å
139S90.9Very high94.3Very high37 Ų3763.7 Ų63.726%0.25934%0.335SS..  trans-116.6133.3-166.3-178.60000112.7N137 A141 D142N137-S139 PolarHBondContact O-N 3.41Å; S139-A141 PolarHBondContact O-N 2.62Å; S139-A141 WeakPolarHBondContact OG-CB 3.3Å; S139-A141 PolarHBondContact OG-N 3.29Å; S139-A141 VanDerWaalsContact OG-N 3.13Å; S139-D142 PolarHBondContact O-N 3.2Å
140Q94.6Very high94.5Very high52 Ų5262 Ų6224%0.24332%0.318CS..Hα-helixtrans-61.8-33.9168.3-178.86049.700111.2S62 V65 D142 V143 D144S62-Q140 PolarHBondContact OG-NE2 3.29Å; V65-Q140 HydrophobicContact CG1-CB 3.88Å; Q140-D142 PolarHBondContact O-N 3.07Å; Q140-V143 WeakPolarHBondContact O-CA 3.43Å; Q140-V143 WeakPolarHBondContact O-CB 3.27Å; Q140-V143 PolarHBondContact O-N 3.4Å; Q140-D144 PolarHBondContact NE2-OD1 3.43Å; Q140-D144 VanDerWaalsContact O-CG 3.31Å; Q140-D144 PolarHBondContact O-N 2.94Å
141A95.6Very high94.6Very high53 Ų5366.1 Ų66.144%0.43834%0.336SS..Hα-helixtrans-63.2-30-17800000112.8S139 T145S139-A141 PolarHBondContact O-N 2.62Å; S139-A141 WeakPolarHBondContact OG-CB 3.3Å; S139-A141 PolarHBondContact OG-N 3.29Å; S139-A141 VanDerWaalsContact OG-N 3.13Å; A141-T145 WeakPolarHBondContact O-CB 3.45Å; A141-T145 PolarHBondContact O-N 2.93Å; A141-T145 PolarHBondContact O-OG1 3.41Å
142D95.1Very high94.7Very high18 Ų1868 Ų6810%0.09635%0.346CS..Hα-helixtrans-68.9-38.5174.4-75.2-35.9000110.9R133 N137 S139 Q140 T145 A146R133-D142 IonicContact CZ-OD1 2.95Å; R133-D142 VanDerWaalsContact CZ-OD1 3.26Å; R133-D142 IonicContact NE-OD1 3.34Å; R133-D142 PolarHBondContact NE-OD1 3.5Å; R133-D142 IonicContact NE-OD2 3.57Å; R133-D142 IonicContact NH2-OD1 3.21Å; R133-D142 PolarHBondContact NH2-OD1 3Å; R133-D142 IonicContact NH2-OD2 3.18Å; N137-D142 VanDerWaalsContact CB-OD2 3.24Å; N137-D142 WeakPolarHBondContact CB-OD2 3.44Å; N137-D142 PolarHBondContact ND2-OD2 3.49Å; S139-D142 PolarHBondContact O-N 3.2Å; Q140-D142 PolarHBondContact O-N 3.07Å; D142-T145 PolarHBondContact O-N 2.9Å; D142-A146 WeakPolarHBondContact O-CB 3.32Å; D142-A146 PolarHBondContact O-N 3.05Å
143V96.6Very high94.9Very high0 Ų065.8 Ų65.80%033%0.329CS..Hα-helixtrans-66.1-44.8175-175.10000110.6Y58 L61 S62 V65 M134 Q140 T145 A146 H147Y58-V143 WeakPolarHBondContact O-CG1 3.31Å; L61-V143 HydrophobicContact CB-CG1 3.91Å; L61-V143 HydrophobicContact CB-CG2 4.28Å; S62-V143 VanDerWaalsContact OG-CG1 3.3Å; S62-V143 WeakPolarHBondContact OG-CG1 3.44Å; V65-V143 HydrophobicContact CG2-CG2 3.98Å; M134-V143 HydrophobicContact CE-CG2 4.25Å; M134-V143 HydrophobicContact SD-CG2 4.04Å; Q140-V143 WeakPolarHBondContact O-CA 3.43Å; Q140-V143 WeakPolarHBondContact O-CB 3.27Å; Q140-V143 PolarHBondContact O-N 3.4Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.2Å; V143-A146 PolarHBondContact O-N 2.86Å; V143-H147 VanDerWaalsContact O-CB 3.31Å; V143-H147 WeakPolarHBondContact O-CB 3.27Å; V143-H147 PolarHBondContact O-N 3.42Å
144D97.4Very high95Very high83 Ų8359.9 Ų59.944%0.44431%0.307SS..Hα-helixtrans-61.6-40.9177.9-59.8-23.8000111.4Q140 R148Q140-D144 PolarHBondContact NE2-OD1 3.43Å; Q140-D144 VanDerWaalsContact O-CG 3.31Å; Q140-D144 PolarHBondContact O-N 2.94Å; D144-R148 WeakPolarHBondContact O-CB 3.39Å; D144-R148 PolarHBondContact O-N 2.7Å
145T97.7Very high95.2Very high93 Ų9368.4 Ų68.457%0.57134%0.339SS*.Hα-helixtrans-65.4-46.2177.3-59.40000111.4A141 D142 V143 H147 R148 L149A141-T145 WeakPolarHBondContact O-CB 3.45Å; A141-T145 PolarHBondContact O-N 2.93Å; A141-T145 PolarHBondContact O-OG1 3.41Å; D142-T145 PolarHBondContact O-N 2.9Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.2Å; T145-H147 VanDerWaalsContact C-N 3.34Å; T145-R148 PolarHBondContact O-N 3.3Å; T145-L149 WeakPolarHBondContact O-CB 3.45Å; T145-L149 PolarHBondContact O-N 2.88Å
146A97.9Very high95.5Very high7 Ų769.5 Ų69.56%0.05834%0.34CS..Hα-helixtrans-65.3-39.4178.700000111.9Y58 V126 C130 D142 V143 L149 A150Y58-A146 HydrophobicContact CD1-CB 4.12Å; Y58-A146 HydrophobicContact CE1-CB 3.63Å; V126-A146 HydrophobicContact CG1-CB 3.89Å; V126-A146 WeakPolarHBondContact CG1-O 3.33Å; C130-A146 HydrophobicContact CB-CB 3.56Å; D142-A146 WeakPolarHBondContact O-CB 3.32Å; D142-A146 PolarHBondContact O-N 3.05Å; V143-A146 PolarHBondContact O-N 2.86Å; A146-L149 PolarHBondContact O-N 2.81Å; A146-A150 WeakPolarHBondContact O-CB 3.38Å; A146-A150 PolarHBondContact O-N 3.49Å
147H98.2Very high95.6Very high41 Ų4164.2 Ų64.219%0.1931%0.309CS..Hα-helixtrans-59.1-51.1174.7-170.8-172.3000110.9Y58 V143 T145 L149 A150 E151Y58-H147 HydrophobicContact CD1-CB 4.24Å; Y58-H147 HydrophobicContact CD2-CB 4.19Å; Y58-H147 AromaticContact CD2-CD2 3.8Å; Y58-H147 HydrophobicContact CG-CB 3.8Å; V143-H147 VanDerWaalsContact O-CB 3.31Å; V143-H147 WeakPolarHBondContact O-CB 3.27Å; V143-H147 PolarHBondContact O-N 3.42Å; T145-H147 VanDerWaalsContact C-N 3.34Å; H147-L149 VanDerWaalsContact C-N 3.33Å; H147-L149 PolarHBondContact O-N 2.91Å; H147-A150 WeakPolarHBondContact O-CB 3.28Å; H147-A150 PolarHBondContact O-N 3.14Å; H147-A150 VanDerWaalsContact O-N 3.15Å; H147-E151 PolarHBondContact O-N 2.93Å
148R98.3Very high95.6Very high168 Ų16866.5 Ų66.563%0.63431%0.312SS*.Hα-helixtrans-61.4-40.6178.4-173.8170.8-176.7160.23.1112.6D144 T145 A150 E151 D152D144-R148 WeakPolarHBondContact O-CB 3.39Å; D144-R148 PolarHBondContact O-N 2.7Å; T145-R148 PolarHBondContact O-N 3.3Å; R148-A150 VanDerWaalsContact C-N 3.29Å; R148-A150 PolarHBondContact O-N 3.02Å; R148-E151 WeakPolarHBondContact O-CB 3.41Å; R148-E151 PolarHBondContact O-N 2.86Å; R148-D152 PolarHBondContact O-N 2.97Å
149L98.2Very high95.5Very high82 Ų8261.2 Ų61.243%0.42930%0.299SS..Hα-helixtrans-64.3-36.9177.4-175.358.7000111.7V126 T145 A146 H147 D152 I153V126-L149 HydrophobicContact CB-CD2 4.48Å; V126-L149 HydrophobicContact CG1-CB 4.26Å; V126-L149 HydrophobicContact CG1-CD2 4.1Å; V126-L149 HydrophobicContact CG1-CG 4.35Å; V126-L149 HydrophobicContact CG2-CD2 3.52Å; V126-L149 HydrophobicContact CG2-CG 3.87Å; T145-L149 WeakPolarHBondContact O-CB 3.45Å; T145-L149 PolarHBondContact O-N 2.88Å; A146-L149 PolarHBondContact O-N 2.81Å; H147-L149 VanDerWaalsContact C-N 3.33Å; H147-L149 PolarHBondContact O-N 2.91Å; L149-D152 PolarHBondContact O-N 3.4Å; L149-I153 HydrophobicContact CG-CD1 4.29Å; L149-I153 WeakPolarHBondContact O-CD1 3.29Å; L149-I153 VanDerWaalsContact O-CG1 3.28Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.35Å
150A98.3Very high95.2Very high0 Ų065.2 Ų65.20%031%0.308CS..Hα-helixtrans-67.1-39.617400000112.4L55 Y58 M123 A146 H147 R148 I153 L154L55-A150 HydrophobicContact CD2-CB 3.83Å; Y58-A150 HydrophobicContact CD2-CB 4.4Å; Y58-A150 HydrophobicContact CE2-CB 3.43Å; Y58-A150 VanDerWaalsContact CE2-CB 3.43Å; M123-A150 HydrophobicContact CE-CB 4.2Å; A146-A150 WeakPolarHBondContact O-CB 3.38Å; A146-A150 PolarHBondContact O-N 3.49Å; H147-A150 WeakPolarHBondContact O-CB 3.28Å; H147-A150 PolarHBondContact O-N 3.14Å; H147-A150 VanDerWaalsContact O-N 3.15Å; R148-A150 VanDerWaalsContact C-N 3.29Å; R148-A150 PolarHBondContact O-N 3.02Å; A150-I153 PolarHBondContact O-N 3.17Å; A150-L154 WeakPolarHBondContact O-CB 3.49Å; A150-L154 PolarHBondContact O-N 3.15Å
151E97.7Very high94.3Very high91 Ų9167.2 Ų67.243%0.42532%0.317SS..Hα-helixtrans-60.3-44.9171.8-70.1178.4135.500111.6L55 H147 R148 L154 R155L55-E151 HydrophobicContact CD1-CG 3.67Å; L55-E151 HydrophobicContact CD2-CG 4.25Å; H147-E151 PolarHBondContact O-N 2.93Å; R148-E151 WeakPolarHBondContact O-CB 3.41Å; R148-E151 PolarHBondContact O-N 2.86Å; E151-L154 PolarHBondContact O-N 3.46Å; E151-R155 WeakPolarHBondContact O-CB 3.46Å; E151-R155 PolarHBondContact O-N 3.4Å
152D97.4Very high93.3Very high60 Ų6067.8 Ų67.832%0.32133%0.329SS..Hα-helixtrans-62.4-46.9178.5-73.7-28.2000110.9R148 L149 L154 R155 F156R148-D152 PolarHBondContact O-N 2.97Å; L149-D152 PolarHBondContact O-N 3.4Å; D152-L154 VanDerWaalsContact C-N 3.32Å; D152-L154 PolarHBondContact O-N 3.16Å; D152-R155 PolarHBondContact O-N 3.04Å; D152-F156 WeakPolarHBondContact O-CD2 3.45Å; D152-F156 PolarHBondContact O-N 3.08Å
153I97.1Very high92.1Very high22 Ų2268.8 Ų68.811%0.11334%0.343CS..Hα-helixtrans-54.7-48.8175.2-73.3162.2000110.7V119 Q122 M123 V126 L149 A150 R155 F156 A157V119-I153 HydrophobicContact CG1-CG2 3.76Å; Q122-I153 HydrophobicContact CB-CD1 4.08Å; Q122-I153 HydrophobicContact CB-CG2 4.35Å; M123-I153 HydrophobicContact CG-CG2 3.9Å; V126-I153 HydrophobicContact CG2-CD1 3.76Å; L149-I153 HydrophobicContact CG-CD1 4.29Å; L149-I153 WeakPolarHBondContact O-CD1 3.29Å; L149-I153 VanDerWaalsContact O-CG1 3.28Å; L149-I153 WeakPolarHBondContact O-CG1 3.41Å; L149-I153 PolarHBondContact O-N 3.35Å; A150-I153 PolarHBondContact O-N 3.17Å; I153-R155 PolarHBondContact O-N 2.85Å; I153-F156 PolarHBondContact O-N 3.07Å; I153-A157 WeakPolarHBondContact O-CB 3.25Å; I153-A157 PolarHBondContact O-N 3.33Å
154L95.2Very high90.9Very high9 Ų972.4 Ų72.45%0.04737%0.373CS..Hα-helixtrans-64.2-41.7-178.9-173.760.5000111.8E51 L54 L108 L111 V113 A150 E151 D152 A157 R158E51-L154 HydrophobicContact CB-CD2 3.73Å; E51-L154 HydrophobicContact CG-CD2 3.64Å; L54-L154 HydrophobicContact CD1-CD1 4.1Å; L54-L154 HydrophobicContact CD1-CD2 4.38Å; L108-L154 HydrophobicContact CD2-CD1 3.67Å; L111-L154 HydrophobicContact CD1-CD1 4.04Å; V113-L154 HydrophobicContact CG1-CD1 4.45Å; A150-L154 WeakPolarHBondContact O-CB 3.49Å; A150-L154 PolarHBondContact O-N 3.15Å; E151-L154 PolarHBondContact O-N 3.46Å; D152-L154 VanDerWaalsContact C-N 3.32Å; D152-L154 PolarHBondContact O-N 3.16Å; L154-A157 PolarHBondContact O-N 2.9Å; L154-R158 WeakPolarHBondContact O-CG 3.46Å; L154-R158 PolarHBondContact O-N 3.42Å; L154-R158 VanDerWaalsContact O-N 3.11Å
155R94Very high89.6Confident179 Ų17972.7 Ų72.768%0.67537%0.374SS*.Hα-helixtrans-61.5-46.3175.3-175.6179.6178.5-179.50.9111.3E151 D152 I153 A157 R158 C159E151-R155 WeakPolarHBondContact O-CB 3.46Å; E151-R155 PolarHBondContact O-N 3.4Å; D152-R155 PolarHBondContact O-N 3.04Å; I153-R155 PolarHBondContact O-N 2.85Å; R155-A157 PolarHBondContact O-N 3.24Å; R155-R158 PolarHBondContact O-N 3.3Å; R155-C159 PolarHBondContact O-N 2.94Å; R155-C159 PolarHBondContact O-SG 3.17Å
156F93.9Very high87.6Confident117 Ų11776.4 Ų76.451%0.51340%0.397SS..Hα-helixtrans-61.4-43.5177.6-84.5-67.2000112.1D152 I153 R158 C159 R160 L165D152-F156 WeakPolarHBondContact O-CD2 3.45Å; D152-F156 PolarHBondContact O-N 3.08Å; I153-F156 PolarHBondContact O-N 3.07Å; F156-R158 VanDerWaalsContact C-N 3.34Å; F156-R158 PolarHBondContact O-N 2.99Å; F156-C159 PolarHBondContact O-N 3.25Å; F156-R160 PolarHBondContact O-N 3.14Å; F156-L165 HydrophobicContact CD1-CD1 3.72Å; F156-L165 HydrophobicContact CE1-CD1 4.39Å
157A92.8Very high87.1Confident4 Ų479.9 Ų79.93%0.03341%0.414CS..Hα-helixtrans-60.3-42.9178.300000112.2V113 V119 I153 L154 R155 R160 Q161V113-A157 HydrophobicContact CB-CB 4.01Å; V113-A157 HydrophobicContact CG1-CB 4.28Å; V113-A157 HydrophobicContact CG2-CB 4.49Å; V119-A157 HydrophobicContact CG1-CB 4.08Å; V119-A157 HydrophobicContact CG2-CB 3.66Å; I153-A157 WeakPolarHBondContact O-CB 3.25Å; I153-A157 PolarHBondContact O-N 3.33Å; L154-A157 PolarHBondContact O-N 2.9Å; R155-A157 PolarHBondContact O-N 3.24Å; A157-R160 PolarHBondContact O-N 3.01Å; A157-Q161 PolarHBondContact O-N 3.28Å
158R89.1Confident86.5Confident122 Ų12281.9 Ų81.946%0.4643%0.426SS..Hα-helixtrans-69.2-35176-67.5-18071.8167.813.4113E51 V113 L154 R155 F156 Q161 G162E51-R158 IonicContact OE1-CZ 3.5Å; E51-R158 IonicContact OE1-NH1 2.64Å; E51-R158 PolarHBondContact OE1-NH1 3Å; E51-R158 IonicContact OE1-NH2 3.62Å; V113-R158 HydrophobicContact CG1-CG 4.07Å; L154-R158 WeakPolarHBondContact O-CG 3.46Å; L154-R158 PolarHBondContact O-N 3.42Å; L154-R158 VanDerWaalsContact O-N 3.11Å; R155-R158 PolarHBondContact O-N 3.3Å; F156-R158 VanDerWaalsContact C-N 3.34Å; F156-R158 PolarHBondContact O-N 2.99Å; R158-Q161 PolarHBondContact O-N 3.2Å; R158-G162 PolarHBondContact O-N 2.61Å
159C88.9Confident85.9Confident48 Ų4877.2 Ų77.232%0.32441%0.414SS..Hα-helixtrans-67.1-36.8175.3-73.70000112.5R155 F156 G162 G163 A164 L165R155-C159 PolarHBondContact O-N 2.94Å; R155-C159 PolarHBondContact O-SG 3.17Å; F156-C159 PolarHBondContact O-N 3.25Å; C159-G162 PolarHBondContact O-N 3.32Å; C159-G163 PolarHBondContact O-N 3.35Å; C159-A164 HydrophobicContact CB-CB 4.49Å; C159-A164 PolarHBondContact O-N 3.37Å; C159-A164 VanDerWaalsContact O-N 3.08Å; C159-L165 HydrophobicContact CB-CD1 3.57Å; C159-L165 HydrophobicContact CB-CG 4.12Å
160R84.8Confident85.2Confident121 Ų12176.9 Ų76.946%0.45741%0.413SS..Hα-helixtrans-63.1-45174.1-76.2-177.6-177.9167.71.9112D114 F156 A157 G162 G163 L165D114-R160 HydrophobicContact CB-CB 3.96Å; F156-R160 PolarHBondContact O-N 3.14Å; A157-R160 PolarHBondContact O-N 3.01Å; R160-G162 PolarHBondContact O-N 3.37Å; R160-G163 PolarHBondContact O-N 2.99Å; R160-L165 HydrophobicContact CG-CB 3.93Å; R160-L165 HydrophobicContact CG-CD1 3.96Å
161Q75.5Confident84.3Confident93 Ų9381.7 Ų81.744%0.43544%0.439SS..Hα-helixtrans-55.8-38.7174.7-173.2-164.21.700112E112 A157 R158 G163E112-Q161 WeakPolarHBondContact O-CG 3.45Å; E112-Q161 PolarHBondContact O-NE2 3.07Å; E112-Q161 PolarHBondContact O-OE1 3.3Å; A157-Q161 PolarHBondContact O-N 3.28Å; R158-Q161 PolarHBondContact O-N 3.2Å; Q161-G163 PolarHBondContact O-N 2.98Å
162G74.8Confident83.5Confident66 Ų6681.1 Ų81.168%0.6844%0.44SS*.THydrogen-bonded Turntrans-76.73.3176.500000115.5R158 C159 R160 A164R158-G162 PolarHBondContact O-N 2.61Å; C159-G162 PolarHBondContact O-N 3.32Å; R160-G162 PolarHBondContact O-N 3.37Å; G162-A164 PolarHBondContact O-N 3.47Å
163G71.1Confident82.5Confident39 Ų3982.6 Ų82.640%0.40245%0.449SS..THydrogen-bonded Turntrans71.212.1-178.300000114.6C159 R160 Q161 L165 T166C159-G163 PolarHBondContact O-N 3.35Å; R160-G163 PolarHBondContact O-N 2.99Å; Q161-G163 PolarHBondContact O-N 2.98Å; G163-L165 VanDerWaalsContact C-N 3.27Å; G163-L165 PolarHBondContact O-N 3.14Å; G163-T166 PolarHBondContact O-OG1 3.23Å
164A70.6Confident81.3Confident75 Ų7587.2 Ų87.262%0.6247%0.474SS*.THydrogen-bonded Turntrans-80.1-8-175.900000113.7C159 G162C159-A164 HydrophobicContact CB-CB 4.49Å; C159-A164 PolarHBondContact O-N 3.37Å; C159-A164 VanDerWaalsContact O-N 3.08Å; G162-A164 PolarHBondContact O-N 3.47Å
165L70.3Confident80.2Confident89 Ų8993.8 Ų93.847%0.46651%0.51SS..THydrogen-bonded Turntrans-131.49.8-173.1-67.5172.4000113.7F156 C159 R160 G163F156-L165 HydrophobicContact CD1-CD1 3.72Å; F156-L165 HydrophobicContact CE1-CD1 4.39Å; C159-L165 HydrophobicContact CB-CD1 3.57Å; C159-L165 HydrophobicContact CB-CG 4.12Å; R160-L165 HydrophobicContact CG-CB 3.93Å; R160-L165 HydrophobicContact CG-CD1 3.96Å; G163-L165 VanDerWaalsContact C-N 3.27Å; G163-L165 PolarHBondContact O-N 3.14Å
166T56.4Low78.9Confident172 Ų17286 Ų86100%1.05550%0.495SS*.  trans-100017152.10000109.7G163G163-T166 PolarHBondContact O-OG1 3.23Å

Retrieved 166 of 166 residues in 276.5 ms (Link to these results)

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