A0A096NY88_PAPAN Loading...

Family with sequence similarity 98 member A

AlphaFold DB (A0A2K5YP75), UniProt , Accession A0A096NY88, Species PAPAN (Papio anubis, Olive baboon), Gene FAM98A, Length 516 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
1M59.1Low83.9Confident185 Ų18575 Ų7591%0.91139%0.392SS*.  0-62.70-83.5-161-74.700112.4D4 L5M1-D4 VanDerWaalsContact CA-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 3.01Å; M1-L5 WeakPolarHBondContact O-CG 3.44Å; M1-L5 PolarHBondContact O-N 3.47Å
2E73.6Confident84.8Confident120 Ų12078.8 Ų78.856%0.56141%0.406SS*.Hα-helixtrans-67.2-45.2-179.8-166-171.7172.300112.6M6 K106E2-M6 WeakPolarHBondContact O-CG 3.26Å; E2-M6 PolarHBondContact O-N 3Å; E2-K106 IonicContact OE1-NZ 3.5Å; E2-K106 PolarHBondContact OE1-NZ 3.33Å; E2-K106 IonicContact OE2-NZ 2.68Å; E2-K106 PolarHBondContact OE2-NZ 3.28Å
3C77.8Confident85.7Confident33 Ų3374.8 Ų74.822%0.22339%0.389CS..Hα-helixtrans-65.4-39.9177.2-61.70000112.7L5 M6 E7 L109C3-L5 VanDerWaalsContact C-N 3.31Å; C3-L5 PolarHBondContact O-N 3.36Å; C3-M6 PolarHBondContact O-N 3.4Å; C3-E7 WeakPolarHBondContact O-CB 3.28Å; C3-E7 PolarHBondContact O-N 2.93Å; C3-L109 HydrophobicContact CB-CD1 3.77Å
4D78.5Confident86.4Confident92 Ų9269.4 Ų69.449%0.49236%0.361SS..Hα-helixtrans-64.8-35.7-178.5-41.2-27.5000111.9M1 T8M1-D4 VanDerWaalsContact CA-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 3.01Å; D4-T8 PolarHBondContact O-N 3.11Å; D4-T8 VanDerWaalsContact O-N 3.16Å; D4-T8 PolarHBondContact O-OG1 3.24Å
5L81.8Confident86.9Confident117 Ų11773.1 Ų73.161%0.61338%0.376SS*.Hα-helixtrans-67.2-46.6172.9-71170.4000111.1M1 C3 E7 T8 D9M1-L5 WeakPolarHBondContact O-CG 3.44Å; M1-L5 PolarHBondContact O-N 3.47Å; C3-L5 VanDerWaalsContact C-N 3.31Å; C3-L5 PolarHBondContact O-N 3.36Å; L5-E7 VanDerWaalsContact C-N 3.28Å; L5-E7 PolarHBondContact O-N 2.99Å; L5-T8 PolarHBondContact O-N 3.41Å; L5-D9 PolarHBondContact O-N 2.64Å
6M87.4Confident87.2Confident38 Ų3877.3 Ų77.319%0.18740%0.399CS..Hα-helixtrans-60.7-37.9175.9-67.5-17783.100112.2E2 C3 I10 T113E2-M6 WeakPolarHBondContact O-CG 3.26Å; E2-M6 PolarHBondContact O-N 3Å; C3-M6 PolarHBondContact O-N 3.4Å; M6-I10 WeakPolarHBondContact O-CB 3.41Å; M6-I10 WeakPolarHBondContact O-CD1 3.15Å; M6-I10 WeakPolarHBondContact O-CG1 3.19Å; M6-I10 PolarHBondContact O-N 3.4Å; M6-T113 WeakPolarHBondContact CE-OG1 3.42Å
7E89.8Confident87.5Confident22 Ų2273.4 Ų73.410%0.10338%0.379CS..Hα-helixtrans-63.4-43.7177.9-167.4175.7166.800111.3C3 L5 I10 L11 L29 S30 L109C3-E7 WeakPolarHBondContact O-CB 3.28Å; C3-E7 PolarHBondContact O-N 2.93Å; L5-E7 VanDerWaalsContact C-N 3.28Å; L5-E7 PolarHBondContact O-N 2.99Å; E7-I10 PolarHBondContact O-N 2.85Å; E7-L11 WeakPolarHBondContact O-CG 3.45Å; E7-L11 PolarHBondContact O-N 2.91Å; E7-L29 HydrophobicContact CG-CB 4.38Å; E7-L29 HydrophobicContact CG-CD2 3.7Å; E7-L29 HydrophobicContact CG-CG 4.08Å; E7-S30 WeakPolarHBondContact OE1-CA 3.31Å; E7-S30 WeakPolarHBondContact OE1-CB 3.45Å; E7-S30 PolarHBondContact OE1-N 3.27Å; E7-S30 WeakPolarHBondContact OE2-CB 3.28Å; E7-S30 PolarHBondContact OE2-OG 3.48Å; E7-L109 HydrophobicContact CB-CD2 4.49Å
8T90.8Very high87.8Confident73 Ų7371.8 Ų71.845%0.44838%0.384SS..Hα-helixtrans-63-48177.8-50.20000111.2D4 L5 I10 L11 E12D4-T8 PolarHBondContact O-N 3.11Å; D4-T8 VanDerWaalsContact O-N 3.16Å; D4-T8 PolarHBondContact O-OG1 3.24Å; L5-T8 PolarHBondContact O-N 3.41Å; T8-I10 VanDerWaalsContact C-N 3.31Å; T8-I10 PolarHBondContact O-N 3.09Å; T8-L11 PolarHBondContact O-N 3.28Å; T8-E12 PolarHBondContact O-N 2.99Å; T8-E12 VanDerWaalsContact O-N 3.09Å
9D92.6Very high88.2Confident97 Ų9769.3 Ų69.352%0.51937%0.369SS..Hα-helixtrans-61.2-39.8178.5-66.1-14.6000111.6L5 E12 S13L5-D9 PolarHBondContact O-N 2.64Å; D9-E12 PolarHBondContact O-N 3.49Å; D9-S13 PolarHBondContact O-N 3.38Å
10I96.3Very high88.3Confident5 Ų575.6 Ų75.63%0.02639%0.393CS..Hα-helixtrans-62.9-43.8176.5-74.2164.6000110.9M6 E7 T8 S13 L14 L29 L109 L112 I116M6-I10 WeakPolarHBondContact O-CB 3.41Å; M6-I10 WeakPolarHBondContact O-CD1 3.15Å; M6-I10 WeakPolarHBondContact O-CG1 3.19Å; M6-I10 PolarHBondContact O-N 3.4Å; E7-I10 PolarHBondContact O-N 2.85Å; T8-I10 VanDerWaalsContact C-N 3.31Å; T8-I10 PolarHBondContact O-N 3.09Å; I10-S13 PolarHBondContact O-N 2.98Å; I10-L14 HydrophobicContact CG2-CD1 3.81Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 WeakPolarHBondContact O-CB 3.4Å; I10-L14 WeakPolarHBondContact O-CG 3.34Å; I10-L14 PolarHBondContact O-N 2.98Å; I10-L29 HydrophobicContact CB-CD2 4.25Å; I10-L29 HydrophobicContact CG2-CD2 3.67Å; I10-L109 HydrophobicContact CD1-CB 4.35Å; I10-L109 HydrophobicContact CD1-CD2 3.67Å; I10-L112 HydrophobicContact CD1-CB 4.03Å; I10-I116 HydrophobicContact CB-CD1 4.36Å; I10-I116 HydrophobicContact CG1-CD1 4.27Å; I10-I116 HydrophobicContact CG2-CD1 3.79Å
11L95.6Very high88.5Confident43 Ų4373 Ų7323%0.22538%0.384CS..Hα-helixtrans-62.8-45.3179.7-70.8170.1000111.4E7 T8 L14 E15 L23 L24 L29E7-L11 WeakPolarHBondContact O-CG 3.45Å; E7-L11 PolarHBondContact O-N 2.91Å; T8-L11 PolarHBondContact O-N 3.28Å; L11-L14 PolarHBondContact O-N 2.85Å; L11-E15 PolarHBondContact O-N 3.18Å; L11-E15 VanDerWaalsContact O-N 3.08Å; L11-L23 WeakPolarHBondContact CD2-O 3.4Å; L11-L24 HydrophobicContact CD2-CD2 4.05Å; L11-L29 HydrophobicContact CD2-CB 4.21Å; L11-L29 HydrophobicContact CD2-CD2 3.79Å; L11-L29 HydrophobicContact CG-CD2 3.86Å
12E94.8Very high90Very high120 Ų12067.8 Ų67.856%0.56136%0.364SS*.Hα-helixtrans-59-49.3175.4-69.5-174.3177.700111.5T8 D9 L14 E15 D16T8-E12 PolarHBondContact O-N 2.99Å; T8-E12 VanDerWaalsContact O-N 3.09Å; D9-E12 PolarHBondContact O-N 3.49Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 2.75Å; E12-E15 PolarHBondContact O-N 3.41Å; E12-D16 PolarHBondContact O-N 2.85Å
13S95.8Very high90.9Very high27 Ų2762.2 Ų62.219%0.18934%0.338CS..Hα-helixtrans-62.1-36.4177.1-85.10000113D9 I10 D16 L17 I116 E120D9-S13 PolarHBondContact O-N 3.38Å; I10-S13 PolarHBondContact O-N 2.98Å; S13-D16 PolarHBondContact O-N 3.04Å; S13-L17 VanDerWaalsContact O-CB 3.29Å; S13-L17 WeakPolarHBondContact O-CB 3.48Å; S13-L17 WeakPolarHBondContact O-CG 3.46Å; S13-L17 PolarHBondContact O-N 3.42Å; S13-I116 VanDerWaalsContact CB-CG2 3.49Å; S13-E120 WeakPolarHBondContact CB-OE1 3.34Å; S13-E120 PolarHBondContact OG-OE1 2.86Å
14L95.9Very high91.6Very high0 Ų063.1 Ų63.10%034%0.34CS..Hα-helixtrans-65.8-39.7177.3-75.2175.8000111.8I10 L11 E12 L17 G18 Y19 L24 L45 W48 L49 I116I10-L14 HydrophobicContact CG2-CD1 3.81Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 WeakPolarHBondContact O-CB 3.4Å; I10-L14 WeakPolarHBondContact O-CG 3.34Å; I10-L14 PolarHBondContact O-N 2.98Å; L11-L14 PolarHBondContact O-N 2.85Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 2.75Å; L14-L17 PolarHBondContact O-N 2.97Å; L14-G18 PolarHBondContact O-N 3.18Å; L14-Y19 HydrophobicContact CB-CD1 4.36Å; L14-Y19 HydrophobicContact CD1-CD1 4.38Å; L14-Y19 HydrophobicContact CD2-CG 4.4Å; L14-Y19 VanDerWaalsContact O-CB 3.25Å; L14-Y19 WeakPolarHBondContact O-CB 3.36Å; L14-Y19 PolarHBondContact O-N 3Å; L14-L24 HydrophobicContact CB-CD2 4.03Å; L14-L45 HydrophobicContact CD1-CD1 4.15Å; L14-L45 HydrophobicContact CD1-CD2 3.92Å; L14-L45 HydrophobicContact CD2-CD1 3.78Å; L14-W48 HydrophobicContact CD2-CZ3 4.13Å; L14-L49 HydrophobicContact CD2-CD2 4.26Å; L14-I116 HydrophobicContact CD2-CD1 3.92Å; L14-I116 HydrophobicContact CD2-CG1 4.27Å; L14-I116 HydrophobicContact CG-CD1 4.02Å
15E93.9Very high92.2Very high125 Ų12565.3 Ų65.358%0.58435%0.348SS*.Hα-helixtrans-62.2-47.1173-70.5-173.3178.800111.4L11 E12 L17 G18 L24L11-E15 PolarHBondContact O-N 3.18Å; L11-E15 VanDerWaalsContact O-N 3.08Å; E12-E15 PolarHBondContact O-N 3.41Å; E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 3.47Å; E15-G18 WeakPolarHBondContact O-CA 3.3Å; E15-G18 PolarHBondContact O-N 3.4Å; E15-L24 HydrophobicContact CG-CD1 4.24Å; E15-L24 HydrophobicContact CG-CD2 4.02Å
16D91.8Very high92.5Very high140 Ų14068 Ų6875%0.74936%0.363SS*.Hα-helixtrans-62-36.3177.6-82.9-13.7000112.6E12 S13 G18E12-D16 PolarHBondContact O-N 2.85Å; S13-D16 PolarHBondContact O-N 3.04Å; D16-G18 PolarHBondContact O-N 3.26Å
17L92.8Very high92.6Very high11 Ų1167.5 Ų67.56%0.05837%0.367CS..THydrogen-bonded Turntrans-73.8-10.3175.1-72.9171.7000113.2S13 L14 E15 W48 L49 I116 L119 E120 R123S13-L17 VanDerWaalsContact O-CB 3.29Å; S13-L17 WeakPolarHBondContact O-CB 3.48Å; S13-L17 WeakPolarHBondContact O-CG 3.46Å; S13-L17 PolarHBondContact O-N 3.42Å; L14-L17 PolarHBondContact O-N 2.97Å; E15-L17 VanDerWaalsContact C-N 3.29Å; E15-L17 PolarHBondContact O-N 3.47Å; L17-W48 HydrophobicContact CB-CH2 4.21Å; L17-L49 HydrophobicContact CD1-CD2 4.4Å; L17-I116 HydrophobicContact CD1-CB 4.38Å; L17-I116 HydrophobicContact CD1-CG1 4.21Å; L17-I116 HydrophobicContact CD1-CG2 3.91Å; L17-L119 HydrophobicContact CD1-CD2 4.07Å; L17-L119 HydrophobicContact CD2-CD2 4.13Å; L17-L119 HydrophobicContact CD2-CG 4.08Å; L17-E120 HydrophobicContact CD1-CG 4.3Å; L17-E120 HydrophobicContact CD2-CG 3.83Å; L17-E120 HydrophobicContact CG-CG 4.24Å; L17-R123 PolarHBondContact O-NH1 2.98Å; L17-R123 PolarHBondContact O-NH2 2.87Å
18G92.1Very high92.7Very high45 Ų4567.5 Ų67.546%0.46437%0.371SS..THydrogen-bonded Turntrans84.621.1177.200000114.3L14 E15 D16L14-G18 PolarHBondContact O-N 3.18Å; E15-G18 WeakPolarHBondContact O-CA 3.3Å; E15-G18 PolarHBondContact O-N 3.4Å; D16-G18 PolarHBondContact O-N 3.26Å
19Y94.9Very high92.9Very high24 Ų2464.1 Ų64.19%0.09435%0.35CS..  trans-63.7143.8172.1-175.2-111.2000110.3L14 G21 L23 L24 L45 W48L14-Y19 HydrophobicContact CB-CD1 4.36Å; L14-Y19 HydrophobicContact CD1-CD1 4.38Å; L14-Y19 HydrophobicContact CD2-CG 4.4Å; L14-Y19 VanDerWaalsContact O-CB 3.25Å; L14-Y19 WeakPolarHBondContact O-CB 3.36Å; L14-Y19 PolarHBondContact O-N 3Å; Y19-G21 VanDerWaalsContact CE1-CA 3.45Å; Y19-G21 VanDerWaalsContact CE1-N 3.32Å; Y19-G21 VanDerWaalsContact CZ-CA 3.41Å; Y19-L23 HydrophobicContact CE1-CB 4.27Å; Y19-L24 HydrophobicContact CD1-CD1 4.23Å; Y19-L24 HydrophobicContact CD1-CD2 4.24Å; Y19-L24 HydrophobicContact CD1-CG 3.95Å; Y19-L24 HydrophobicContact CE1-CG 4.41Å; Y19-L24 WeakPolarHBondContact O-CD1 3.27Å; Y19-L45 HydrophobicContact CD1-CD1 4.43Å; Y19-L45 HydrophobicContact CD2-CD1 4.08Å; Y19-L45 HydrophobicContact CE1-CD1 4.1Å; Y19-L45 HydrophobicContact CE2-CD1 3.7Å; Y19-L45 HydrophobicContact CG-CD1 4.41Å; Y19-W48 AromaticContact CD2-CD2 3.6Å; Y19-W48 HydrophobicContact CD2-CD2 3.6Å; Y19-W48 AromaticContact CD2-CE2 3.89Å; Y19-W48 AromaticContact CD2-CE3 3.54Å; Y19-W48 HydrophobicContact CD2-CE3 3.54Å; Y19-W48 HydrophobicContact CD2-CG 4.2Å; Y19-W48 HydrophobicContact CD2-CH2 4.09Å; Y19-W48 HydrophobicContact CD2-CZ2 4.14Å; Y19-W48 AromaticContact CD2-CZ3 3.79Å; Y19-W48 HydrophobicContact CD2-CZ3 3.79Å; Y19-W48 HydrophobicContact CE2-CD2 4.08Å; Y19-W48 HydrophobicContact CE2-CE3 4.13Å; Y19-W48 HydrophobicContact CE2-CG 4.23Å; Y19-W48 HydrophobicContact CG-CE3 4.35Å; Y19-W48 HydrophobicContact CG-CH2 4.38Å; Y19-W48 HydrophobicContact CG-CZ3 4.18Å
20K92Very high93Very high195 Ų19561.1 Ų61.185%0.84834%0.337SS*.  trans-136.521.4-178.8-61.8-173.5179.6-176.10112.8
21G90.9Very high92.9Very high20 Ų2067.9 Ų67.921%0.20637%0.368CS..SBendtrans-83.1174.3-178.800000112.9Y19 L23 L24Y19-G21 VanDerWaalsContact CE1-CA 3.45Å; Y19-G21 VanDerWaalsContact CE1-N 3.32Å; Y19-G21 VanDerWaalsContact CZ-CA 3.41Å; G21-L23 PolarHBondContact O-N 2.78Å; G21-L23 VanDerWaalsContact O-N 3.15Å; G21-L24 PolarHBondContact O-N 2.93Å
22P90.5Very high92.9Very high76 Ų7666 Ų6649%0.49436%0.359SS..G310 helixtrans-68.3-14.6-172.128.9-36.2000113.8L24 E25P22-L24 PolarHBondContact O-N 3.16Å; P22-E25 WeakPolarHBondContact O-CB 3.46Å; P22-E25 WeakPolarHBondContact O-CG 3.32Å; P22-E25 PolarHBondContact O-N 3Å; P22-E25 VanDerWaalsContact O-N 3.15Å
23L93.2Very high93Very high4 Ų460.3 Ų60.32%0.02133%0.333CS..G310 helixtrans-72.8-5.8-179.5-65.5-175.3000114.5L11 Y19 G21 E25 A28 L29 A32 E41 L45L11-L23 WeakPolarHBondContact CD2-O 3.4Å; Y19-L23 HydrophobicContact CE1-CB 4.27Å; G21-L23 PolarHBondContact O-N 2.78Å; G21-L23 VanDerWaalsContact O-N 3.15Å; L23-E25 VanDerWaalsContact C-N 3.28Å; L23-A28 HydrophobicContact CD2-CB 4.31Å; L23-L29 HydrophobicContact CD1-CD1 4.23Å; L23-A32 HydrophobicContact CD1-CB 4.43Å; L23-A32 HydrophobicContact CD2-CB 3.65Å; L23-E41 HydrophobicContact CD1-CB 4.49Å; L23-E41 HydrophobicContact CD2-CB 3.77Å; L23-E41 HydrophobicContact CG-CB 4.32Å; L23-L45 HydrophobicContact CD1-CB 3.72Å; L23-L45 HydrophobicContact CD1-CD2 3.67Å; L23-L45 HydrophobicContact CD1-CG 4.26Å
24L92Very high92.9Very high51 Ų5162.3 Ų62.327%0.26735%0.346SS..G310 helixtrans-79.3-11.8170.1-63.3178.3000112.8L11 L14 E15 Y19 G21 P22L11-L24 HydrophobicContact CD2-CD2 4.05Å; L14-L24 HydrophobicContact CB-CD2 4.03Å; E15-L24 HydrophobicContact CG-CD1 4.24Å; E15-L24 HydrophobicContact CG-CD2 4.02Å; Y19-L24 HydrophobicContact CD1-CD1 4.23Å; Y19-L24 HydrophobicContact CD1-CD2 4.24Å; Y19-L24 HydrophobicContact CD1-CG 3.95Å; Y19-L24 HydrophobicContact CE1-CG 4.41Å; Y19-L24 WeakPolarHBondContact O-CD1 3.27Å; G21-L24 PolarHBondContact O-N 2.93Å; P22-L24 PolarHBondContact O-N 3.16Å
25E91.2Very high92.8Very high138 Ų13864.6 Ų64.665%0.64537%0.365SS*.SBendtrans-69.8145.4175-63.8-179.8-174.800110.9P22 L23 G27 A28P22-E25 WeakPolarHBondContact O-CB 3.46Å; P22-E25 WeakPolarHBondContact O-CG 3.32Å; P22-E25 PolarHBondContact O-N 3Å; P22-E25 VanDerWaalsContact O-N 3.15Å; L23-E25 VanDerWaalsContact C-N 3.28Å; E25-G27 PolarHBondContact O-N 3.41Å; E25-A28 HydrophobicContact CB-CB 4.12Å; E25-A28 VanDerWaalsContact O-CB 3.27Å; E25-A28 WeakPolarHBondContact O-CB 3.3Å; E25-A28 PolarHBondContact O-N 2.87Å
26D87.6Confident92.9Very high175 Ų17558.6 Ų58.694%0.93634%0.337SS*.THydrogen-bonded Turntrans-56.2122.7-174.2-170.428.2000111.9A28D26-A28 PolarHBondContact O-N 3.33Å
27G89.7Confident93Very high27 Ų2752 Ų5228%0.27830%0.302SS..THydrogen-bonded Turntrans73.4-3.1-178.500000116.5E25 Q31E25-G27 PolarHBondContact O-N 3.41Å; G27-Q31 WeakPolarHBondContact O-CG 3.32Å; G27-Q31 PolarHBondContact O-N 2.89Å
28A93.4Very high93.1Very high22 Ų2253.5 Ų53.518%0.18231%0.314CS..Hα-helixtrans-68.4-40.8179.900000112L23 E25 D26 Q31 A32L23-A28 HydrophobicContact CD2-CB 4.31Å; E25-A28 HydrophobicContact CB-CB 4.12Å; E25-A28 VanDerWaalsContact O-CB 3.27Å; E25-A28 WeakPolarHBondContact O-CB 3.3Å; E25-A28 PolarHBondContact O-N 2.87Å; D26-A28 PolarHBondContact O-N 3.33Å; A28-Q31 PolarHBondContact O-N 3.34Å; A28-A32 WeakPolarHBondContact O-CB 3.37Å; A28-A32 PolarHBondContact O-N 3.24Å; A28-A32 VanDerWaalsContact O-N 3.09Å
29L94.3Very high93.3Very high1 Ų151.7 Ų51.71%0.00529%0.294CS..Hα-helixtrans-61.3-49.4175.7-178.760.1000111.4E7 I10 L11 L23 Q31 A32 V33 L45 L112E7-L29 HydrophobicContact CG-CB 4.38Å; E7-L29 HydrophobicContact CG-CD2 3.7Å; E7-L29 HydrophobicContact CG-CG 4.08Å; I10-L29 HydrophobicContact CB-CD2 4.25Å; I10-L29 HydrophobicContact CG2-CD2 3.67Å; L11-L29 HydrophobicContact CD2-CB 4.21Å; L11-L29 HydrophobicContact CD2-CD2 3.79Å; L11-L29 HydrophobicContact CG-CD2 3.86Å; L23-L29 HydrophobicContact CD1-CD1 4.23Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.41Å; L29-A32 PolarHBondContact O-N 3.31Å; L29-A32 VanDerWaalsContact O-N 3.11Å; L29-V33 HydrophobicContact CD1-CG1 3.91Å; L29-V33 HydrophobicContact CG-CG1 4.4Å; L29-V33 WeakPolarHBondContact O-CG2 3.32Å; L29-V33 PolarHBondContact O-N 3.5Å; L29-L45 HydrophobicContact CD1-CD2 4.25Å; L29-L112 HydrophobicContact CD1-CD1 3.94Å
30S94.4Very high93.3Very high35 Ų3551.7 Ų51.725%0.24530%0.296CS..Hα-helixtrans-51.6-48.2176.7-133.80000112.2E7 A32 V33 S34E7-S30 WeakPolarHBondContact OE1-CA 3.31Å; E7-S30 WeakPolarHBondContact OE1-CB 3.45Å; E7-S30 PolarHBondContact OE1-N 3.27Å; E7-S30 WeakPolarHBondContact OE2-CB 3.28Å; E7-S30 PolarHBondContact OE2-OG 3.48Å; S30-A32 PolarHBondContact O-N 3.19Å; S30-V33 VanDerWaalsContact O-CG2 3.31Å; S30-V33 WeakPolarHBondContact O-CG2 3.32Å; S30-V33 PolarHBondContact O-N 3.22Å; S30-S34 WeakPolarHBondContact O-CB 3.42Å; S30-S34 PolarHBondContact O-N 3.34Å; S30-S34 PolarHBondContact O-OG 3.07Å
31Q94.6Very high93.4Very high147 Ų14746.3 Ų46.369%0.68727%0.274SS*.Hα-helixtrans-62.5-44.1178.8-69.3176.922.100111.9G27 A28 L29 S34 A35G27-Q31 WeakPolarHBondContact O-CG 3.32Å; G27-Q31 PolarHBondContact O-N 2.89Å; A28-Q31 PolarHBondContact O-N 3.34Å; L29-Q31 VanDerWaalsContact C-N 3.31Å; L29-Q31 PolarHBondContact O-N 3.41Å; Q31-S34 PolarHBondContact O-N 3.42Å; Q31-A35 PolarHBondContact O-N 2.97Å; Q31-A35 VanDerWaalsContact O-N 3.15Å
32A95.3Very high93.7Very high4 Ų445.3 Ų45.33%0.03326%0.264CS..Hα-helixtrans-65.1-44.3179.900000112.1L23 A28 L29 S30 A35 G36 E41 F42L23-A32 HydrophobicContact CD1-CB 4.43Å; L23-A32 HydrophobicContact CD2-CB 3.65Å; A28-A32 WeakPolarHBondContact O-CB 3.37Å; A28-A32 PolarHBondContact O-N 3.24Å; A28-A32 VanDerWaalsContact O-N 3.09Å; L29-A32 PolarHBondContact O-N 3.31Å; L29-A32 VanDerWaalsContact O-N 3.11Å; S30-A32 PolarHBondContact O-N 3.19Å; A32-A35 PolarHBondContact O-N 2.96Å; A32-G36 PolarHBondContact O-N 3.35Å; A32-E41 HydrophobicContact CB-CB 4.26Å; A32-F42 HydrophobicContact CB-CB 4.11Å
33V96Very high94Very high0 Ų041.7 Ų41.70%024%0.241CC..Hα-helixtrans-72.3-27.3178.5-62.70000113L29 S30 G36 F42 Q105 C108 L109 L112L29-V33 HydrophobicContact CD1-CG1 3.91Å; L29-V33 HydrophobicContact CG-CG1 4.4Å; L29-V33 WeakPolarHBondContact O-CG2 3.32Å; L29-V33 PolarHBondContact O-N 3.5Å; S30-V33 VanDerWaalsContact O-CG2 3.31Å; S30-V33 WeakPolarHBondContact O-CG2 3.32Å; S30-V33 PolarHBondContact O-N 3.22Å; V33-G36 PolarHBondContact O-N 3.16Å; V33-F42 HydrophobicContact CG1-CD2 3.97Å; V33-F42 HydrophobicContact CG1-CE2 4.18Å; V33-Q105 HydrophobicContact CB-CG 4.23Å; V33-Q105 HydrophobicContact CG2-CG 3.75Å; V33-C108 HydrophobicContact CB-CB 4.01Å; V33-C108 HydrophobicContact CG1-CB 4.26Å; V33-L109 HydrophobicContact CB-CD2 4.43Å; V33-L109 HydrophobicContact CB-CG 4.42Å; V33-L109 HydrophobicContact CG1-CD2 4.05Å; V33-L109 HydrophobicContact CG1-CG 4.42Å; V33-L109 HydrophobicContact CG2-CD2 4.07Å; V33-L109 HydrophobicContact CG2-CG 4.19Å; V33-L112 HydrophobicContact CG1-CD1 3.9Å
34S95Very high94.2Very high68 Ų6846.2 Ų46.248%0.47626%0.26SS..Hα-helixtrans-68.3-35.7172.3-69.40000112.3S30 Q31 Q105S30-S34 WeakPolarHBondContact O-CB 3.42Å; S30-S34 PolarHBondContact O-N 3.34Å; S30-S34 PolarHBondContact O-OG 3.07Å; Q31-S34 PolarHBondContact O-N 3.42Å; S34-Q105 PolarHBondContact OG-NE2 3.09Å
35A93.8Very high94.5Very high48 Ų4843.8 Ų43.840%0.39725%0.248SC..Hα-helixtrans-81.4-19.7174.100000113.1Q31 A32 S38Q31-A35 PolarHBondContact O-N 2.97Å; Q31-A35 VanDerWaalsContact O-N 3.15Å; A32-A35 PolarHBondContact O-N 2.96Å; A35-S38 PolarHBondContact O-N 2.89Å
36G95Very high94.8Very high0 Ų037.3 Ų37.30%022%0.217CC..G310 helixtrans61.3-136.817100000113.3A32 V33 S38 S39 F42 L102A32-G36 PolarHBondContact O-N 3.35Å; V33-G36 PolarHBondContact O-N 3.16Å; G36-S38 PolarHBondContact O-N 3.44Å; G36-S39 PolarHBondContact O-N 3Å; G36-F42 VanDerWaalsContact C-CD1 3.5Å; G36-F42 WeakPolarHBondContact O-CD1 3.38Å; G36-L102 CarbonylContact C-O 3.6Å; G36-L102 VanDerWaalsContact CA-O 3.23Å; G36-L102 WeakPolarHBondContact CA-O 3.26Å
37A94.1Very high95.2Very high0 Ų029.7 Ų29.70%018%0.179CC..G310 helixtrans-59.5-17.8-179.300000114.4A72 F75 Q76 L102A37-A72 HydrophobicContact CB-CB 4.04Å; A37-A72 VanDerWaalsContact O-CB 3.3Å; A37-A72 WeakPolarHBondContact O-CB 3.36Å; A37-F75 HydrophobicContact CB-CD1 4.05Å; A37-Q76 HydrophobicContact CB-CG 3.73Å; A37-L102 HydrophobicContact CB-CB 4Å; A37-L102 PolarHBondContact N-O 3.3Å
38S95Very high95.6Very high44 Ų4431.4 Ų31.431%0.30818%0.177SC..G310 helixtrans-82-11174.9-62.50000113.9A35 G36 P40A35-S38 PolarHBondContact O-N 2.89Å; G36-S38 PolarHBondContact O-N 3.44Å; S38-P40 WeakPolarHBondContact O-CD 3.08Å
39S96.3Very high95.8Very high7 Ų730.3 Ų30.35%0.04917%0.168CC..  trans-88.8118.3174.7165.70000111.2G36 E41 F42 T43G36-S39 PolarHBondContact O-N 3Å; S39-E41 PolarHBondContact O-N 3.41Å; S39-E41 PolarHBondContact OG-N 2.72Å; S39-E41 PolarHBondContact OG-OE2 2.82Å; S39-F42 PolarHBondContact O-N 3.08Å; S39-F42 PolarHBondContact OG-N 3.21Å; S39-T43 WeakPolarHBondContact O-CG2 3.4Å; S39-T43 PolarHBondContact O-N 3.28Å; S39-T43 VanDerWaalsContact O-N 3.12Å; S39-T43 PolarHBondContact O-OG1 3.45Å
40P95Very high95.9Very high23 Ų2330.3 Ų30.315%0.14917%0.168CC..Hα-helixtrans-56.8-32.7171.5-28.138.5000113.3S38 T43 K44 T66S38-P40 WeakPolarHBondContact O-CD 3.08Å; P40-T43 WeakPolarHBondContact CA-OG1 3.44Å; P40-T43 PolarHBondContact O-OG1 3.07Å; P40-T43 VanDerWaalsContact O-OG1 3.1Å; P40-K44 VanDerWaalsContact O-CB 3.24Å; P40-K44 WeakPolarHBondContact O-CB 3.48Å; P40-K44 WeakPolarHBondContact O-CD 3.26Å; P40-K44 WeakPolarHBondContact O-CG 3.41Å; P40-K44 PolarHBondContact O-N 3.26Å; P40-T66 WeakPolarHBondContact CB-O 3.4Å
41E95.1Very high95.9Very high82 Ų8231.1 Ų31.138%0.38317%0.174SC..Hα-helixtrans-68.9-44.2-179.7-60.765.2-142.500110.8L23 A32 S39 K44 L45L23-E41 HydrophobicContact CD1-CB 4.49Å; L23-E41 HydrophobicContact CD2-CB 3.77Å; L23-E41 HydrophobicContact CG-CB 4.32Å; A32-E41 HydrophobicContact CB-CB 4.26Å; S39-E41 PolarHBondContact O-N 3.41Å; S39-E41 PolarHBondContact OG-N 2.72Å; S39-E41 PolarHBondContact OG-OE2 2.82Å; E41-K44 PolarHBondContact O-N 3.03Å; E41-L45 PolarHBondContact O-N 3.04Å
42F97.3Very high95.8Very high0 Ų026.9 Ų26.90%015%0.154CC..Hα-helixtrans-61.8-46174.9173-102.6000112.1A32 V33 G36 S39 L45 C46 F75 L102 C108 L111 L112A32-F42 HydrophobicContact CB-CB 4.11Å; V33-F42 HydrophobicContact CG1-CD2 3.97Å; V33-F42 HydrophobicContact CG1-CE2 4.18Å; G36-F42 VanDerWaalsContact C-CD1 3.5Å; G36-F42 WeakPolarHBondContact O-CD1 3.38Å; S39-F42 PolarHBondContact O-N 3.08Å; S39-F42 PolarHBondContact OG-N 3.21Å; F42-L45 PolarHBondContact O-N 2.83Å; F42-C46 PolarHBondContact O-N 3.06Å; F42-C46 PolarHBondContact O-SG 3.5Å; F42-F75 HydrophobicContact CE1-CE1 4.24Å; F42-L102 HydrophobicContact CE1-CD1 4.41Å; F42-C108 HydrophobicContact CD2-CB 4.43Å; F42-C108 HydrophobicContact CE2-CB 3.6Å; F42-C108 HydrophobicContact CZ-CB 3.64Å; F42-L111 HydrophobicContact CZ-CD2 4.17Å; F42-L112 HydrophobicContact CD2-CD1 4.24Å; F42-L112 HydrophobicContact CE2-CD1 3.94Å; F42-L112 HydrophobicContact CE2-CD2 4.18Å; F42-L112 HydrophobicContact CE2-CG 3.9Å
43T96.9Very high95.8Very high0 Ų026.8 Ų26.80%015%0.153CC..Hα-helixtrans-68.7-35.318063.70000111.9S39 P40 C46 A47 T66 F75S39-T43 WeakPolarHBondContact O-CG2 3.4Å; S39-T43 PolarHBondContact O-N 3.28Å; S39-T43 VanDerWaalsContact O-N 3.12Å; S39-T43 PolarHBondContact O-OG1 3.45Å; P40-T43 WeakPolarHBondContact CA-OG1 3.44Å; P40-T43 PolarHBondContact O-OG1 3.07Å; P40-T43 VanDerWaalsContact O-OG1 3.1Å; T43-C46 PolarHBondContact O-N 3Å; T43-A47 WeakPolarHBondContact O-CB 3.48Å; T43-A47 PolarHBondContact O-N 3.35Å; T43-T66 HydrophobicContact CG2-CG2 4.03Å; T43-T66 WeakPolarHBondContact CG2-OG1 3.36Å; T43-T66 PolarHBondContact OG1-N 3.48Å; T43-T66 PolarHBondContact OG1-OG1 2.99Å; T43-F75 VanDerWaalsContact CB-CE2 3.46Å; T43-F75 HydrophobicContact CG2-CD1 3.75Å; T43-F75 HydrophobicContact CG2-CD2 3.78Å; T43-F75 HydrophobicContact CG2-CE1 3.68Å; T43-F75 HydrophobicContact CG2-CE2 3.67Å; T43-F75 HydrophobicContact CG2-CG 3.81Å; T43-F75 HydrophobicContact CG2-CZ 3.64Å
44K96.9Very high95.5Very high99 Ų9931.7 Ų31.743%0.4317%0.172SC..Hα-helixtrans-61.2-41.2171.3-77.6167.3-169.8168.50112.6P40 E41 A47 W48 A65P40-K44 VanDerWaalsContact O-CB 3.24Å; P40-K44 WeakPolarHBondContact O-CB 3.48Å; P40-K44 WeakPolarHBondContact O-CD 3.26Å; P40-K44 WeakPolarHBondContact O-CG 3.41Å; P40-K44 PolarHBondContact O-N 3.26Å; E41-K44 PolarHBondContact O-N 3.03Å; K44-A47 PolarHBondContact O-N 3.47Å; K44-W48 WeakPolarHBondContact O-CB 3.49Å; K44-W48 PolarHBondContact O-N 3.41Å; K44-A65 HydrophobicContact CB-CB 4.3Å; K44-A65 HydrophobicContact CG-CB 3.55Å
45L97.6Very high95.2Very high0 Ų034 Ų340%018%0.182CC..Hα-helixtrans-65.2-45.3175.9176.761.3000111.5L14 Y19 L23 L29 E41 F42 A47 W48 L49 L112L14-L45 HydrophobicContact CD1-CD1 4.15Å; L14-L45 HydrophobicContact CD1-CD2 3.92Å; L14-L45 HydrophobicContact CD2-CD1 3.78Å; Y19-L45 HydrophobicContact CD1-CD1 4.43Å; Y19-L45 HydrophobicContact CD2-CD1 4.08Å; Y19-L45 HydrophobicContact CE1-CD1 4.1Å; Y19-L45 HydrophobicContact CE2-CD1 3.7Å; Y19-L45 HydrophobicContact CG-CD1 4.41Å; L23-L45 HydrophobicContact CD1-CB 3.72Å; L23-L45 HydrophobicContact CD1-CD2 3.67Å; L23-L45 HydrophobicContact CD1-CG 4.26Å; L29-L45 HydrophobicContact CD1-CD2 4.25Å; E41-L45 PolarHBondContact O-N 3.04Å; F42-L45 PolarHBondContact O-N 2.83Å; L45-A47 PolarHBondContact O-N 3.35Å; L45-W48 HydrophobicContact CD1-CE3 4.18Å; L45-W48 PolarHBondContact O-N 2.98Å; L45-L49 HydrophobicContact CD1-CD1 4.41Å; L45-L49 HydrophobicContact CD1-CG 4.41Å; L45-L49 HydrophobicContact CG-CD1 4.29Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 3.46Å; L45-L112 HydrophobicContact CD2-CD1 3.88Å; L45-L112 HydrophobicContact CD2-CD2 3.67Å; L45-L112 HydrophobicContact CD2-CG 4.42Å; L45-L112 HydrophobicContact CG-CD2 3.92Å
46C97.6Very high94.8Very high1 Ų134 Ų341%0.00718%0.176CC..Hα-helixtrans-57.9-49174.5-650000111.2F42 T43 W48 L49 V50 F75F42-C46 PolarHBondContact O-N 3.06Å; F42-C46 PolarHBondContact O-SG 3.5Å; T43-C46 PolarHBondContact O-N 3Å; C46-W48 VanDerWaalsContact C-N 3.29Å; C46-W48 PolarHBondContact O-N 3.2Å; C46-L49 PolarHBondContact O-N 3.38Å; C46-V50 WeakPolarHBondContact O-CB 3.28Å; C46-V50 VanDerWaalsContact O-CG2 3.22Å; C46-V50 WeakPolarHBondContact O-CG2 3.39Å; C46-V50 PolarHBondContact O-N 2.96Å; C46-F75 HydrophobicContact CB-CE2 4.26Å; C46-F75 HydrophobicContact CB-CZ 3.77Å
47A96.5Very high94.3Very high16 Ų1636.2 Ų36.213%0.13219%0.19CC..Hα-helixtrans-60.2-38.8178.500000112.1T43 K44 L45 S51 V63 A65T43-A47 WeakPolarHBondContact O-CB 3.48Å; T43-A47 PolarHBondContact O-N 3.35Å; K44-A47 PolarHBondContact O-N 3.47Å; L45-A47 PolarHBondContact O-N 3.35Å; A47-S51 WeakPolarHBondContact O-CB 3.3Å; A47-S51 PolarHBondContact O-N 2.9Å; A47-V63 WeakPolarHBondContact CB-O 3.32Å; A47-A65 HydrophobicContact CB-CB 4.09Å
48W97.1Very high93.7Very high62 Ų6246.3 Ų46.324%0.23523%0.234CC..Hα-helixtrans-63.5-50.9174.9177.678.6000112L14 L17 Y19 K44 L45 C46 V50 S51 E52L14-W48 HydrophobicContact CD2-CZ3 4.13Å; L17-W48 HydrophobicContact CB-CH2 4.21Å; Y19-W48 AromaticContact CD2-CD2 3.6Å; Y19-W48 HydrophobicContact CD2-CD2 3.6Å; Y19-W48 AromaticContact CD2-CE2 3.89Å; Y19-W48 AromaticContact CD2-CE3 3.54Å; Y19-W48 HydrophobicContact CD2-CE3 3.54Å; Y19-W48 HydrophobicContact CD2-CG 4.2Å; Y19-W48 HydrophobicContact CD2-CH2 4.09Å; Y19-W48 HydrophobicContact CD2-CZ2 4.14Å; Y19-W48 AromaticContact CD2-CZ3 3.79Å; Y19-W48 HydrophobicContact CD2-CZ3 3.79Å; Y19-W48 HydrophobicContact CE2-CD2 4.08Å; Y19-W48 HydrophobicContact CE2-CE3 4.13Å; Y19-W48 HydrophobicContact CE2-CG 4.23Å; Y19-W48 HydrophobicContact CG-CE3 4.35Å; Y19-W48 HydrophobicContact CG-CH2 4.38Å; Y19-W48 HydrophobicContact CG-CZ3 4.18Å; K44-W48 WeakPolarHBondContact O-CB 3.49Å; K44-W48 PolarHBondContact O-N 3.41Å; L45-W48 HydrophobicContact CD1-CE3 4.18Å; L45-W48 PolarHBondContact O-N 2.98Å; C46-W48 VanDerWaalsContact C-N 3.29Å; C46-W48 PolarHBondContact O-N 3.2Å; W48-V50 VanDerWaalsContact C-N 3.29Å; W48-V50 PolarHBondContact O-N 2.91Å; W48-S51 PolarHBondContact O-N 3.11Å; W48-S51 VanDerWaalsContact O-N 3.12Å; W48-S51 PolarHBondContact O-OG 2.86Å; W48-E52 HydrophobicContact CD2-CG 4.34Å; W48-E52 HydrophobicContact CH2-CG 4.43Å; W48-E52 HydrophobicContact CZ2-CG 3.91Å; W48-E52 PolarHBondContact O-N 3.21Å
49L97.3Very high93.4Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-57.2-43.3177.3-72.7168000111.7L14 L17 L45 C46 E52 L53 L112 L115 I116 L119L14-L49 HydrophobicContact CD2-CD2 4.26Å; L17-L49 HydrophobicContact CD1-CD2 4.4Å; L45-L49 HydrophobicContact CD1-CD1 4.41Å; L45-L49 HydrophobicContact CD1-CG 4.41Å; L45-L49 HydrophobicContact CG-CD1 4.29Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 3.46Å; C46-L49 PolarHBondContact O-N 3.38Å; L49-E52 PolarHBondContact O-N 3.11Å; L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 3.13Å; L49-L112 HydrophobicContact CD1-CD2 3.9Å; L49-L115 HydrophobicContact CB-CB 4.22Å; L49-L115 HydrophobicContact CB-CD1 4.48Å; L49-L115 HydrophobicContact CD1-CB 3.96Å; L49-L115 HydrophobicContact CD1-CD1 4.41Å; L49-I116 HydrophobicContact CD1-CG1 3.99Å; L49-I116 HydrophobicContact CD2-CG1 3.83Å; L49-L119 HydrophobicContact CD2-CD2 3.93Å
50V96.3Very high92.9Very high1 Ų153.3 Ų53.31%0.00626%0.262CS..Hα-helixtrans-65.6-41177.3175.10000111.1C46 W48 E52 L53 R54 V63 L82 L115C46-V50 WeakPolarHBondContact O-CB 3.28Å; C46-V50 VanDerWaalsContact O-CG2 3.22Å; C46-V50 WeakPolarHBondContact O-CG2 3.39Å; C46-V50 PolarHBondContact O-N 2.96Å; W48-V50 VanDerWaalsContact C-N 3.29Å; W48-V50 PolarHBondContact O-N 2.91Å; V50-E52 VanDerWaalsContact C-N 3.32Å; V50-E52 PolarHBondContact O-N 3.28Å; V50-L53 WeakPolarHBondContact O-CB 3.48Å; V50-L53 PolarHBondContact O-N 3.49Å; V50-R54 HydrophobicContact CG1-CG 4.32Å; V50-R54 WeakPolarHBondContact O-CB 3.4Å; V50-R54 VanDerWaalsContact O-CG 3.24Å; V50-R54 WeakPolarHBondContact O-CG 3.46Å; V50-R54 PolarHBondContact O-N 3.33Å; V50-V63 HydrophobicContact CG1-CB 4.41Å; V50-V63 HydrophobicContact CG1-CG2 4.49Å; V50-V63 HydrophobicContact CG2-CB 4.29Å; V50-V63 HydrophobicContact CG2-CG2 4.26Å; V50-L82 HydrophobicContact CB-CD2 4.37Å; V50-L82 HydrophobicContact CG1-CD1 4.28Å; V50-L82 HydrophobicContact CG1-CD2 4.04Å; V50-L82 HydrophobicContact CG2-CD2 3.35Å; V50-L115 HydrophobicContact CG2-CD1 4.34Å; V50-L115 HydrophobicContact CG2-CD2 4.34Å
51S94.7Very high92.7Very high51 Ų5156.1 Ų56.136%0.35727%0.273SS..Hα-helixtrans-61.7-40176.876.30000112.3A47 W48 R54 V55A47-S51 WeakPolarHBondContact O-CB 3.3Å; A47-S51 PolarHBondContact O-N 2.9Å; W48-S51 PolarHBondContact O-N 3.11Å; W48-S51 VanDerWaalsContact O-N 3.12Å; W48-S51 PolarHBondContact O-OG 2.86Å; S51-R54 PolarHBondContact O-N 3.03Å; S51-V55 PolarHBondContact O-N 3.49Å
52E94.2Very high92.5Very high58 Ų5854.9 Ų54.927%0.27127%0.269SS..Hα-helixtrans-67-42.9175-72.1-69.3118.200111.4W48 L49 V50 R54 V55 L119 R123W48-E52 HydrophobicContact CD2-CG 4.34Å; W48-E52 HydrophobicContact CH2-CG 4.43Å; W48-E52 HydrophobicContact CZ2-CG 3.91Å; W48-E52 PolarHBondContact O-N 3.21Å; L49-E52 PolarHBondContact O-N 3.11Å; V50-E52 VanDerWaalsContact C-N 3.32Å; V50-E52 PolarHBondContact O-N 3.28Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 PolarHBondContact O-N 3.25Å; E52-V55 PolarHBondContact O-N 3.16Å; E52-L119 HydrophobicContact CB-CD1 3.81Å; E52-L119 HydrophobicContact CB-CD2 3.69Å; E52-L119 HydrophobicContact CB-CG 4.44Å; E52-L119 HydrophobicContact CG-CD2 4.39Å; E52-R123 IonicContact OE2-CZ 2.82Å; E52-R123 IonicContact OE2-NH2 3.88Å; E52-R123 PolarHBondContact OE2-NH2 2.88Å
53L93.4Very high92.3Very high2 Ų255 Ų551%0.0127%0.27CS..Hα-helixtrans-59.4-42.5174.5-85.8167.1000111.8L49 V50 V55 L56 C57 L59 M86 L115 E118 L119 A122L49-L53 WeakPolarHBondContact O-CB 3.41Å; L49-L53 PolarHBondContact O-N 3.13Å; V50-L53 WeakPolarHBondContact O-CB 3.48Å; V50-L53 PolarHBondContact O-N 3.49Å; L53-V55 PolarHBondContact O-N 3.02Å; L53-L56 PolarHBondContact O-N 3Å; L53-C57 WeakPolarHBondContact O-CB 3.48Å; L53-C57 PolarHBondContact O-N 3.49Å; L53-L59 HydrophobicContact CB-CD1 4.1Å; L53-M86 HydrophobicContact CD1-SD 4.39Å; L53-L115 HydrophobicContact CD1-CD2 4.07Å; L53-E118 HydrophobicContact CD2-CB 4.18Å; L53-L119 HydrophobicContact CD2-CB 4Å; L53-L119 HydrophobicContact CD2-CD1 4.22Å; L53-L119 HydrophobicContact CG-CB 4Å; L53-L119 HydrophobicContact CG-CD1 4.13Å; L53-A122 HydrophobicContact CD2-CB 4.28Å
54R91.5Very high92Very high104 Ų10461 Ų6139%0.39230%0.298SS..Hα-helixtrans-63.6-24.1179.4-73.6-177.680.8-154.73.6114V50 S51 E52 L56 C57 L59 E61 N62V50-R54 HydrophobicContact CG1-CG 4.32Å; V50-R54 WeakPolarHBondContact O-CB 3.4Å; V50-R54 VanDerWaalsContact O-CG 3.24Å; V50-R54 WeakPolarHBondContact O-CG 3.46Å; V50-R54 PolarHBondContact O-N 3.33Å; S51-R54 PolarHBondContact O-N 3.03Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 PolarHBondContact O-N 3.25Å; R54-L56 VanDerWaalsContact C-N 3.29Å; R54-C57 CarbonylContact C-O 3.31Å; R54-L59 HydrophobicContact CG-CB 4.08Å; R54-L59 HydrophobicContact CG-CD1 4.17Å; R54-E61 PolarHBondContact NE-O 3Å; R54-N62 VanDerWaalsContact CD-OD1 3.28Å; R54-N62 WeakPolarHBondContact CD-OD1 3.49Å; R54-N62 PolarHBondContact NH1-OD1 2.75Å
55V87.2Confident91.8Very high115 Ų11558.1 Ų58.170%0.69729%0.292SS*.Hα-helixtrans-71-29.9174.1175.80000111.2S51 E52 L53S51-V55 PolarHBondContact O-N 3.49Å; E52-V55 PolarHBondContact O-N 3.16Å; L53-V55 PolarHBondContact O-N 3.02Å
56L86.3Confident91.6Very high50 Ų5058.3 Ų58.326%0.26229%0.294SS..Hα-helixtrans-102.1-34.1-173.3-54.1179000112.5L53 R54 L119 A122 R123L53-L56 PolarHBondContact O-N 3Å; R54-L56 VanDerWaalsContact C-N 3.29Å; L56-L119 HydrophobicContact CD1-CD1 3.87Å; L56-A122 HydrophobicContact CB-CB 4.1Å; L56-A122 HydrophobicContact CD1-CB 4Å; L56-R123 HydrophobicContact CD1-CB 4.39Å; L56-R123 HydrophobicContact CD1-CG 3.46Å; L56-R123 VanDerWaalsContact CD1-CG 3.46Å
57C83.4Confident91.3Very high45 Ų4564.5 Ų64.530%0.30433%0.327SS..SBendtrans-111.1140.8-177.8-61.70000109.7L53 R54 L59L53-C57 WeakPolarHBondContact O-CB 3.48Å; L53-C57 PolarHBondContact O-N 3.49Å; R54-C57 CarbonylContact C-O 3.31Å; C57-L59 HydrophobicContact CB-CD1 4.2Å; C57-L59 HydrophobicContact CB-CD2 4.47Å; C57-L59 HydrophobicContact CB-CG 3.9Å; C57-L59 PolarHBondContact O-N 3.33Å
58K82.9Confident91Very high212 Ų21265.5 Ų65.592%0.92233%0.333SS*.  trans-80.264.8176.7-64.8-176.3178.9-175.90111
59L87.4Confident90.7Very high26 Ų2666.4 Ų66.414%0.13635%0.346CS..  trans-84.3130.1178.9-58.5167.3000110.4L53 R54 C57 L82 E85 M86L53-L59 HydrophobicContact CB-CD1 4.1Å; R54-L59 HydrophobicContact CG-CB 4.08Å; R54-L59 HydrophobicContact CG-CD1 4.17Å; C57-L59 HydrophobicContact CB-CD1 4.2Å; C57-L59 HydrophobicContact CB-CD2 4.47Å; C57-L59 HydrophobicContact CB-CG 3.9Å; C57-L59 PolarHBondContact O-N 3.33Å; L59-L82 HydrophobicContact CD1-CD1 4.05Å; L59-E85 WeakPolarHBondContact CA-OE1 3.34Å; L59-E85 HydrophobicContact CD2-CG 4.26Å; L59-M86 HydrophobicContact CD1-SD 4.19Å; L59-M86 HydrophobicContact CD2-CG 3.77Å; L59-M86 HydrophobicContact CD2-SD 4.38Å
60E87Confident90.5Very high173 Ų17371.3 Ų71.381%0.80838%0.381SS*.  trans-77.9-41.8173.6-64.9-174.6176.700110.6E85E60-E85 PolarHBondContact N-OE1 2.98Å; E60-E85 PolarHBondContact N-OE2 3.44Å
61E89.3Confident90.3Very high82 Ų8274.3 Ų74.338%0.38340%0.395SS..  trans-72.2151.3179.9-63.6-67.7167.100111.7R54 L82 E85R54-E61 PolarHBondContact NE-O 3Å; E61-L82 HydrophobicContact CB-CB 4.08Å; E61-L82 HydrophobicContact CB-CD1 4.17Å; E61-E85 VanDerWaalsContact CB-OE2 3.28Å; E61-E85 WeakPolarHBondContact CB-OE2 3.44Å; E61-E85 HydrophobicContact CG-CB 4.23Å; E61-E85 WeakPolarHBondContact CG-OE2 3.48Å; E61-E85 PolarHBondContact N-OE2 3.04Å
62N90.9Very high90.3Very high55 Ų5572.2 Ų72.229%0.29438%0.381SS..  trans-140.6153.4176.7-169.248000109.7R54R54-N62 VanDerWaalsContact CD-OD1 3.28Å; R54-N62 WeakPolarHBondContact CD-OD1 3.49Å; R54-N62 PolarHBondContact NH1-OD1 2.75Å
63V94.1Very high90.3Very high4 Ų475.6 Ų75.62%0.02440%0.396CS..  trans-121.1127.7176.91770000108.4A47 V50 F75 E78 V79 L82A47-V63 WeakPolarHBondContact CB-O 3.32Å; V50-V63 HydrophobicContact CG1-CB 4.41Å; V50-V63 HydrophobicContact CG1-CG2 4.49Å; V50-V63 HydrophobicContact CG2-CB 4.29Å; V50-V63 HydrophobicContact CG2-CG2 4.26Å; V63-F75 HydrophobicContact CG1-CD2 3.64Å; V63-F75 HydrophobicContact CG1-CE2 3.15Å; V63-F75 HydrophobicContact CG1-CZ 3.94Å; V63-E78 WeakPolarHBondContact CA-OE2 3.4Å; V63-E78 HydrophobicContact CG2-CB 4.29Å; V63-V79 HydrophobicContact CG1-CG2 3.8Å; V63-V79 HydrophobicContact CG2-CG2 3.89Å; V63-L82 HydrophobicContact CG2-CB 4.2Å; V63-L82 HydrophobicContact CG2-CD2 3.73Å
64Q91.5Very high90.4Very high125 Ų12581.5 Ų81.558%0.58442%0.424SS*.PPolyproline II helixtrans-97.7144.8179-58.5-17028.800110.9F75 E78Q64-F75 VanDerWaalsContact O-CD2 3.26Å; Q64-F75 WeakPolarHBondContact O-CD2 3.41Å; Q64-E78 PolarHBondContact N-OE2 3.14Å
65A92.2Very high90.6Very high38 Ų3876.7 Ų76.731%0.31441%0.406SS..PPolyproline II helixtrans-70.8138173.400000110.3K44 A47K44-A65 HydrophobicContact CB-CB 4.3Å; K44-A65 HydrophobicContact CG-CB 3.55Å; A47-A65 HydrophobicContact CB-CB 4.09Å
66T93.9Very high91.1Very high4 Ų471.5 Ų71.53%0.02537%0.374CS..PPolyproline II helixtrans-81.9148.9174.559.40000111P40 T43 E71 F75P40-T66 WeakPolarHBondContact CB-O 3.4Å; T43-T66 HydrophobicContact CG2-CG2 4.03Å; T43-T66 WeakPolarHBondContact CG2-OG1 3.36Å; T43-T66 PolarHBondContact OG1-N 3.48Å; T43-T66 PolarHBondContact OG1-OG1 2.99Å; T66-E71 VanDerWaalsContact CA-OE2 3.24Å; T66-E71 WeakPolarHBondContact CA-OE2 3.39Å; T66-E71 HydrophobicContact CG2-CB 3.66Å; T66-F75 HydrophobicContact CG2-CB 3.71Å; T66-F75 HydrophobicContact CG2-CD2 4.26Å; T66-F75 HydrophobicContact CG2-CG 4.18Å
67N90.4Very high91.6Very high131 Ų13174.1 Ų74.170%0.70139%0.388SS*.SBendtrans-98.7-19.5172.6-63.8-59.9000112.1E71N67-E71 PolarHBondContact N-OE2 3.04Å
68S90.1Very high92.2Very high37 Ų3774 Ų7426%0.25938%0.383SS..SBendtrans-154.1160.6-178.567.40000112.3S70 E71S68-S70 PolarHBondContact O-N 3.23Å; S68-S70 VanDerWaalsContact O-N 3.13Å; S68-S70 PolarHBondContact OG-OG 3.27Å; S68-E71 PolarHBondContact O-N 3.24Å
69P90.9Very high92.9Very high81 Ų8164.1 Ų64.153%0.52634%0.34SS..G310 helixtrans-59.8-21.3179.5-26.735.2000115.5E71 A72P69-E71 PolarHBondContact O-N 3.36Å; P69-A72 WeakPolarHBondContact O-CB 3.37Å; P69-A72 PolarHBondContact O-N 3.02Å
70S92.1Very high93.3Very high104 Ų10464.4 Ų64.473%0.72735%0.345SS*.G310 helixtrans-68.7-18179.949.30000113.6S68 A72S68-S70 PolarHBondContact O-N 3.23Å; S68-S70 VanDerWaalsContact O-N 3.13Å; S68-S70 PolarHBondContact OG-OG 3.27Å; S70-A72 VanDerWaalsContact C-N 3.34Å
71E93.3Very high93.7Very high63 Ų6357.4 Ų57.429%0.29432%0.319SS..G310 helixtrans-900178.8-63.5162.5-163.100112.2T66 N67 S68 P69 E73 E74 F75T66-E71 VanDerWaalsContact CA-OE2 3.24Å; T66-E71 WeakPolarHBondContact CA-OE2 3.39Å; T66-E71 HydrophobicContact CG2-CB 3.66Å; N67-E71 PolarHBondContact N-OE2 3.04Å; S68-E71 PolarHBondContact O-N 3.24Å; P69-E71 PolarHBondContact O-N 3.36Å; E71-E73 VanDerWaalsContact C-N 3.3Å; E71-E73 PolarHBondContact O-N 2.94Å; E71-E74 PolarHBondContact O-N 2.96Å; E71-F75 PolarHBondContact O-N 3.37Å
72A93.9Very high94.1Very high7 Ų753.6 Ų53.66%0.05830%0.301CS..Hα-helixtrans-64-29.6-172.400000114.3A37 P69 S70 Q76A37-A72 HydrophobicContact CB-CB 4.04Å; A37-A72 VanDerWaalsContact O-CB 3.3Å; A37-A72 WeakPolarHBondContact O-CB 3.36Å; P69-A72 WeakPolarHBondContact O-CB 3.37Å; P69-A72 PolarHBondContact O-N 3.02Å; S70-A72 VanDerWaalsContact C-N 3.34Å; A72-Q76 WeakPolarHBondContact O-CG 2.94Å; A72-Q76 PolarHBondContact O-N 3.39Å; A72-Q76 PolarHBondContact O-NE2 3.43Å; A72-Q76 VanDerWaalsContact O-NE2 3.15Å
73E95.2Very high94.3Very high129 Ų12951.2 Ų51.260%0.60329%0.288SS*.Hα-helixtrans-73.5-43.1177.3-65.8-170.6167.900111.5E71 Q76 L77 T99E71-E73 VanDerWaalsContact C-N 3.3Å; E71-E73 PolarHBondContact O-N 2.94Å; E73-Q76 PolarHBondContact O-N 3.13Å; E73-L77 WeakPolarHBondContact O-CG 3.27Å; E73-L77 PolarHBondContact O-N 2.96Å; E73-T99 HydrophobicContact CB-CG2 4.03Å; E73-T99 HydrophobicContact CG-CG2 4.08Å
74E94.9Very high94.4Very high127 Ų12753.2 Ų53.259%0.59331%0.31SS*.Hα-helixtrans-63.2-45.8177-173.8171-166.500111E71 Q76 L77 E78E71-E74 PolarHBondContact O-N 2.96Å; E74-Q76 VanDerWaalsContact C-N 3.28Å; E74-Q76 PolarHBondContact O-N 3.38Å; E74-L77 WeakPolarHBondContact O-CB 3.5Å; E74-L77 PolarHBondContact O-N 3.35Å; E74-E78 PolarHBondContact O-N 3.43Å
75F96.6Very high94.6Very high3 Ų350.2 Ų50.21%0.01330%0.296CS..Hα-helixtrans-54.2-43.4173.6174.4-96.8000112.8A37 F42 T43 C46 V63 Q64 T66 E71 L77 E78 V79 L102A37-F75 HydrophobicContact CB-CD1 4.05Å; F42-F75 HydrophobicContact CE1-CE1 4.24Å; T43-F75 VanDerWaalsContact CB-CE2 3.46Å; T43-F75 HydrophobicContact CG2-CD1 3.75Å; T43-F75 HydrophobicContact CG2-CD2 3.78Å; T43-F75 HydrophobicContact CG2-CE1 3.68Å; T43-F75 HydrophobicContact CG2-CE2 3.67Å; T43-F75 HydrophobicContact CG2-CG 3.81Å; T43-F75 HydrophobicContact CG2-CZ 3.64Å; C46-F75 HydrophobicContact CB-CE2 4.26Å; C46-F75 HydrophobicContact CB-CZ 3.77Å; V63-F75 HydrophobicContact CG1-CD2 3.64Å; V63-F75 HydrophobicContact CG1-CE2 3.15Å; V63-F75 HydrophobicContact CG1-CZ 3.94Å; Q64-F75 VanDerWaalsContact O-CD2 3.26Å; Q64-F75 WeakPolarHBondContact O-CD2 3.41Å; T66-F75 HydrophobicContact CG2-CB 3.71Å; T66-F75 HydrophobicContact CG2-CD2 4.26Å; T66-F75 HydrophobicContact CG2-CG 4.18Å; E71-F75 PolarHBondContact O-N 3.37Å; F75-L77 VanDerWaalsContact C-N 3.3Å; F75-L77 PolarHBondContact O-N 3.11Å; F75-E78 PolarHBondContact O-N 3.25Å; F75-V79 HydrophobicContact CD1-CG2 4.16Å; F75-V79 HydrophobicContact CD2-CG2 4.48Å; F75-V79 HydrophobicContact CE1-CG2 3.68Å; F75-V79 HydrophobicContact CE2-CG2 4.08Å; F75-V79 HydrophobicContact CZ-CG2 3.64Å; F75-V79 WeakPolarHBondContact O-CG2 3.25Å; F75-V79 PolarHBondContact O-N 3.14Å; F75-L102 HydrophobicContact CD1-CD1 4.36Å; F75-L102 HydrophobicContact CE1-CD1 3.81Å
76Q96.8Very high94.6Very high6 Ų649.9 Ų49.93%0.02829%0.288CS..Hα-helixtrans-67.8-30.2179.3-78.5179.495.500112.8A37 A72 E73 E74 S80 V98 T99 L102A37-Q76 HydrophobicContact CB-CG 3.73Å; A72-Q76 WeakPolarHBondContact O-CG 2.94Å; A72-Q76 PolarHBondContact O-N 3.39Å; A72-Q76 PolarHBondContact O-NE2 3.43Å; A72-Q76 VanDerWaalsContact O-NE2 3.15Å; E73-Q76 PolarHBondContact O-N 3.13Å; E74-Q76 VanDerWaalsContact C-N 3.28Å; E74-Q76 PolarHBondContact O-N 3.38Å; Q76-S80 WeakPolarHBondContact O-CB 3.41Å; Q76-S80 PolarHBondContact O-N 3.32Å; Q76-V98 HydrophobicContact CB-CG1 4.47Å; Q76-V98 WeakPolarHBondContact O-CG1 3.26Å; Q76-V98 PolarHBondContact OE1-O 2.87Å; Q76-T99 PolarHBondContact NE2-O 3.36Å; Q76-T99 PolarHBondContact OE1-O 3.39Å; Q76-L102 HydrophobicContact CG-CB 4.02Å; Q76-L102 HydrophobicContact CG-CD1 3.97Å; Q76-L102 HydrophobicContact CG-CG 4.12Å
77L96.1Very high94.6Very high104 Ų10456.3 Ų56.355%0.54532%0.322SS..Hα-helixtrans-68.1-45.8172.9-66.9170.5000111.1E73 E74 F75 V79 S80 G81 V98E73-L77 WeakPolarHBondContact O-CG 3.27Å; E73-L77 PolarHBondContact O-N 2.96Å; E74-L77 WeakPolarHBondContact O-CB 3.5Å; E74-L77 PolarHBondContact O-N 3.35Å; F75-L77 VanDerWaalsContact C-N 3.3Å; F75-L77 PolarHBondContact O-N 3.11Å; L77-V79 PolarHBondContact O-N 3.5Å; L77-S80 WeakPolarHBondContact O-CB 3.27Å; L77-S80 PolarHBondContact O-N 2.91Å; L77-S80 VanDerWaalsContact O-N 3.14Å; L77-G81 PolarHBondContact O-N 2.95Å; L77-V98 HydrophobicContact CD2-CB 4.35Å; L77-V98 HydrophobicContact CD2-CG1 3.91Å
78E96.8Very high94.8Very high42 Ų4250.5 Ų50.520%0.19629%0.292CS..Hα-helixtrans-58.2-48.3175.1-66.3-174.9160.400111.3V63 Q64 E74 F75 S80 G81 L82V63-E78 WeakPolarHBondContact CA-OE2 3.4Å; V63-E78 HydrophobicContact CG2-CB 4.29Å; Q64-E78 PolarHBondContact N-OE2 3.14Å; E74-E78 PolarHBondContact O-N 3.43Å; F75-E78 PolarHBondContact O-N 3.25Å; E78-S80 VanDerWaalsContact C-N 3.27Å; E78-S80 PolarHBondContact O-N 3.45Å; E78-G81 PolarHBondContact O-N 3.46Å; E78-G81 VanDerWaalsContact O-N 3.15Å; E78-L82 PolarHBondContact O-N 3Å
79V97.1Very high95Very high5 Ų553.1 Ų53.13%0.0331%0.308CS..Hα-helixtrans-60.6-38.8176.2173.60000110.9V63 F75 L77 G81 L82 L83 L102 L111V63-V79 HydrophobicContact CG1-CG2 3.8Å; V63-V79 HydrophobicContact CG2-CG2 3.89Å; F75-V79 HydrophobicContact CD1-CG2 4.16Å; F75-V79 HydrophobicContact CD2-CG2 4.48Å; F75-V79 HydrophobicContact CE1-CG2 3.68Å; F75-V79 HydrophobicContact CE2-CG2 4.08Å; F75-V79 HydrophobicContact CZ-CG2 3.64Å; F75-V79 WeakPolarHBondContact O-CG2 3.25Å; F75-V79 PolarHBondContact O-N 3.14Å; L77-V79 PolarHBondContact O-N 3.5Å; V79-G81 VanDerWaalsContact C-N 3.34Å; V79-G81 PolarHBondContact O-N 2.74Å; V79-L82 PolarHBondContact O-N 3.37Å; V79-L83 HydrophobicContact CG1-CD1 3.82Å; V79-L83 HydrophobicContact CG1-CG 4.04Å; V79-L83 WeakPolarHBondContact O-CB 3.11Å; V79-L83 WeakPolarHBondContact O-CG 3.18Å; V79-L83 PolarHBondContact O-N 2.88Å; V79-L102 HydrophobicContact CB-CD1 4.38Å; V79-L102 HydrophobicContact CG1-CD1 4.12Å; V79-L102 HydrophobicContact CG2-CD1 4.36Å; V79-L111 HydrophobicContact CG1-CD1 4.14Å; V79-L111 HydrophobicContact CG1-CD2 3.95Å
80S96.4Very high95.2Very high33 Ų3353.7 Ų53.723%0.23130%0.3CS..Hα-helixtrans-66.5-35.1177.4-168.50000112.8Q76 L77 E78 G84 R101Q76-S80 WeakPolarHBondContact O-CB 3.41Å; Q76-S80 PolarHBondContact O-N 3.32Å; L77-S80 WeakPolarHBondContact O-CB 3.27Å; L77-S80 PolarHBondContact O-N 2.91Å; L77-S80 VanDerWaalsContact O-N 3.14Å; E78-S80 VanDerWaalsContact C-N 3.27Å; E78-S80 PolarHBondContact O-N 3.45Å; S80-G84 PolarHBondContact O-N 3Å; S80-G84 VanDerWaalsContact O-N 3.15Å; S80-R101 PolarHBondContact OG-NH1 3.09Å
81G95.6Very high95.3Very high26 Ų2654.7 Ų54.727%0.26830%0.297SS..Hα-helixtrans-62.5-53.1172.400000111.1L77 E78 V79 L83 G84 E85L77-G81 PolarHBondContact O-N 2.95Å; E78-G81 PolarHBondContact O-N 3.46Å; E78-G81 VanDerWaalsContact O-N 3.15Å; V79-G81 VanDerWaalsContact C-N 3.34Å; V79-G81 PolarHBondContact O-N 2.74Å; G81-L83 PolarHBondContact O-N 3.31Å; G81-G84 WeakPolarHBondContact O-CA 3.33Å; G81-G84 PolarHBondContact O-N 3.41Å; G81-E85 PolarHBondContact O-N 3.42Å
82L96.9Very high95.3Very high2 Ų254.2 Ų54.21%0.0130%0.301CS..Hα-helixtrans-55.7-47177.4176.774000112.6V50 L59 E61 V63 E78 V79 G84 E85 M86 L115V50-L82 HydrophobicContact CB-CD2 4.37Å; V50-L82 HydrophobicContact CG1-CD1 4.28Å; V50-L82 HydrophobicContact CG1-CD2 4.04Å; V50-L82 HydrophobicContact CG2-CD2 3.35Å; L59-L82 HydrophobicContact CD1-CD1 4.05Å; E61-L82 HydrophobicContact CB-CB 4.08Å; E61-L82 HydrophobicContact CB-CD1 4.17Å; V63-L82 HydrophobicContact CG2-CB 4.2Å; V63-L82 HydrophobicContact CG2-CD2 3.73Å; E78-L82 PolarHBondContact O-N 3Å; V79-L82 PolarHBondContact O-N 3.37Å; L82-G84 PolarHBondContact O-N 3.15Å; L82-E85 PolarHBondContact O-N 2.94Å; L82-M86 HydrophobicContact CD1-CE 4.17Å; L82-M86 HydrophobicContact CD1-CG 4.31Å; L82-M86 HydrophobicContact CD1-SD 4.23Å; L82-M86 HydrophobicContact CD2-CE 3.9Å; L82-M86 HydrophobicContact CG-CE 3.71Å; L82-M86 HydrophobicContact CG-SD 4.4Å; L82-M86 WeakPolarHBondContact O-CG 3.44Å; L82-M86 PolarHBondContact O-N 3.32Å; L82-L115 HydrophobicContact CD2-CD2 4.34Å
83L96.5Very high95.4Very high4 Ų454 Ų542%0.02130%0.299CS..Hα-helixtrans-65.4-30.6179.1-69.7178.2000112.3V79 G81 M86 N87 C88 L93 T94 L111 Y114V79-L83 HydrophobicContact CG1-CD1 3.82Å; V79-L83 HydrophobicContact CG1-CG 4.04Å; V79-L83 WeakPolarHBondContact O-CB 3.11Å; V79-L83 WeakPolarHBondContact O-CG 3.18Å; V79-L83 PolarHBondContact O-N 2.88Å; G81-L83 PolarHBondContact O-N 3.31Å; L83-M86 HydrophobicContact CD2-CE 4.22Å; L83-N87 PolarHBondContact O-N 2.85Å; L83-C88 HydrophobicContact CB-CB 3.95Å; L83-C88 HydrophobicContact CD2-CB 3.84Å; L83-C88 HydrophobicContact CG-CB 4.42Å; L83-C88 WeakPolarHBondContact O-CB 3.2Å; L83-C88 PolarHBondContact O-N 3.28Å; L83-L93 HydrophobicContact CD1-CB 3.78Å; L83-T94 HydrophobicContact CB-CG2 4.31Å; L83-L111 HydrophobicContact CD1-CD1 4.17Å; L83-L111 HydrophobicContact CD2-CD1 3.86Å; L83-L111 HydrophobicContact CG-CD1 4.4Å; L83-Y114 HydrophobicContact CD2-CD1 3.83Å; L83-Y114 HydrophobicContact CD2-CE1 3.65Å
84G94.9Very high95.4Very high47 Ų4750 Ų5049%0.48528%0.283SS..Hα-helixtrans-66.2-47171.200000112S80 G81 L82 N87S80-G84 PolarHBondContact O-N 3Å; S80-G84 VanDerWaalsContact O-N 3.15Å; G81-G84 WeakPolarHBondContact O-CA 3.33Å; G81-G84 PolarHBondContact O-N 3.41Å; L82-G84 PolarHBondContact O-N 3.15Å; G84-N87 PolarHBondContact O-N 2.9Å; G84-N87 VanDerWaalsContact O-N 3.14Å
85E95.8Very high95.2Very high61 Ų6146.9 Ų46.929%0.28528%0.275SS..Hα-helixtrans-60.5-45.3176.5-174-179.9-169.200111.8L59 E60 E61 G81 L82 N87L59-E85 WeakPolarHBondContact CA-OE1 3.34Å; L59-E85 HydrophobicContact CD2-CG 4.26Å; E60-E85 PolarHBondContact N-OE1 2.98Å; E60-E85 PolarHBondContact N-OE2 3.44Å; E61-E85 VanDerWaalsContact CB-OE2 3.28Å; E61-E85 WeakPolarHBondContact CB-OE2 3.44Å; E61-E85 HydrophobicContact CG-CB 4.23Å; E61-E85 WeakPolarHBondContact CG-OE2 3.48Å; E61-E85 PolarHBondContact N-OE2 3.04Å; G81-E85 PolarHBondContact O-N 3.42Å; L82-E85 PolarHBondContact O-N 2.94Å; E85-N87 PolarHBondContact O-N 3.43Å; E85-N87 PolarHBondContact O-ND2 3.13Å
86M93.6Very high95Very high31 Ų3150 Ų5015%0.15331%0.308CS..THydrogen-bonded Turntrans-75.40.5178.6-62-164.1-62.300113.8L53 L59 L82 L83 C88 Y114 L115L53-M86 HydrophobicContact CD1-SD 4.39Å; L59-M86 HydrophobicContact CD1-SD 4.19Å; L59-M86 HydrophobicContact CD2-CG 3.77Å; L59-M86 HydrophobicContact CD2-SD 4.38Å; L82-M86 HydrophobicContact CD1-CE 4.17Å; L82-M86 HydrophobicContact CD1-CG 4.31Å; L82-M86 HydrophobicContact CD1-SD 4.23Å; L82-M86 HydrophobicContact CD2-CE 3.9Å; L82-M86 HydrophobicContact CG-CE 3.71Å; L82-M86 HydrophobicContact CG-SD 4.4Å; L82-M86 WeakPolarHBondContact O-CG 3.44Å; L82-M86 PolarHBondContact O-N 3.32Å; L83-M86 HydrophobicContact CD2-CE 4.22Å; M86-C88 VanDerWaalsContact C-N 3.31Å; M86-C88 PolarHBondContact O-N 3.39Å; M86-Y114 HydrophobicContact CE-CD1 4.47Å; M86-Y114 HydrophobicContact CE-CE1 3.7Å; M86-Y114 PolarHBondContact O-OH 3.19Å; M86-L115 HydrophobicContact CE-CD2 3.49Å; M86-L115 VanDerWaalsContact CE-CD2 3.49Å
87N92.3Very high94.9Very high139 Ų13953.6 Ų53.674%0.74333%0.327SS*.THydrogen-bonded Turntrans52.644.8-176.9-61.9-80.3000113.3L83 G84 E85L83-N87 PolarHBondContact O-N 2.85Å; G84-N87 PolarHBondContact O-N 2.9Å; G84-N87 VanDerWaalsContact O-N 3.14Å; E85-N87 PolarHBondContact O-N 3.43Å; E85-N87 PolarHBondContact O-ND2 3.13Å
88C94.6Very high94.8Very high10 Ų1050.2 Ų50.27%0.06831%0.311CS..  trans-55.4125.2-176.7176.40000111.8L83 M86 Y90 T94 Y114L83-C88 HydrophobicContact CB-CB 3.95Å; L83-C88 HydrophobicContact CD2-CB 3.84Å; L83-C88 HydrophobicContact CG-CB 4.42Å; L83-C88 WeakPolarHBondContact O-CB 3.2Å; L83-C88 PolarHBondContact O-N 3.28Å; M86-C88 VanDerWaalsContact C-N 3.31Å; M86-C88 PolarHBondContact O-N 3.39Å; C88-Y90 VanDerWaalsContact C-N 3.3Å; C88-Y90 PolarHBondContact O-N 3.13Å; C88-T94 HydrophobicContact CB-CG2 3.88Å; C88-Y114 HydrophobicContact CB-CE1 3.86Å
89P94.2Very high94.6Very high91 Ų9149.9 Ų49.959%0.59131%0.312SS*.  trans-78.9-12.6-174.531.9-36.2000113.4L91P89-L91 PolarHBondContact O-N 2.71Å
90Y94.8Very high94.4Very high93 Ų9355.5 Ų55.537%0.36534%0.336SS..  trans-82.6103.2-174-60.1-66.9000111.5C88 S92 L93 T94 L110 Y114C88-Y90 VanDerWaalsContact C-N 3.3Å; C88-Y90 PolarHBondContact O-N 3.13Å; Y90-S92 PolarHBondContact O-N 2.77Å; Y90-S92 VanDerWaalsContact O-N 3.16Å; Y90-L93 HydrophobicContact CD2-CD1 4.47Å; Y90-L93 PolarHBondContact O-N 3.4Å; Y90-T94 PolarHBondContact O-N 2.65Å; Y90-T94 PolarHBondContact O-OG1 3.13Å; Y90-L110 HydrophobicContact CD1-CD1 4.11Å; Y90-L110 HydrophobicContact CD1-CD2 4.07Å; Y90-L110 HydrophobicContact CD1-CG 4.46Å; Y90-L110 HydrophobicContact CD2-CD1 4.34Å; Y90-L110 HydrophobicContact CD2-CG 4.37Å; Y90-L110 HydrophobicContact CE1-CD1 4.01Å; Y90-L110 HydrophobicContact CE2-CD1 4.23Å; Y90-L110 HydrophobicContact CG-CD1 4.28Å; Y90-L110 HydrophobicContact CG-CD2 3.96Å; Y90-L110 HydrophobicContact CG-CG 4.24Å; Y90-Y114 HydrophobicContact CD2-CD2 4.18Å; Y90-Y114 HydrophobicContact CD2-CG 4.34Å; Y90-Y114 AromaticContact CE2-CD2 3.77Å; Y90-Y114 HydrophobicContact CE2-CD2 3.77Å; Y90-Y114 HydrophobicContact CE2-CG 4.19Å
91L94.4Very high94.3Very high126 Ų12655.1 Ų55.166%0.6633%0.329SS*.Hα-helixtrans-58.5-29.4179.8-63.9178.2000113.4P89 L93 T94 S95P89-L91 PolarHBondContact O-N 2.71Å; L91-L93 PolarHBondContact O-N 3.38Å; L91-T94 PolarHBondContact O-N 3.28Å; L91-S95 WeakPolarHBondContact O-CA 3.4Å; L91-S95 VanDerWaalsContact O-CB 3.24Å; L91-S95 WeakPolarHBondContact O-CB 3.4Å; L91-S95 PolarHBondContact O-N 2.85Å
92S94.2Very high94.3Very high53 Ų5354.2 Ų54.237%0.37132%0.318SS..Hα-helixtrans-63.5-22.217549.60000113.5Y90 N107 L110Y90-S92 PolarHBondContact O-N 2.77Å; Y90-S92 VanDerWaalsContact O-N 3.16Å; S92-N107 PolarHBondContact O-ND2 3.04Å; S92-L110 WeakPolarHBondContact OG-CD2 3.35Å
93L95.1Very high94.2Very high3 Ų358.5 Ų58.52%0.01634%0.341CS..Hα-helixtrans-100.3-23.9177.4-57.1-179.3000112.9L83 Y90 L91 R101 L102 N107 L110 L111L83-L93 HydrophobicContact CD1-CB 3.78Å; Y90-L93 HydrophobicContact CD2-CD1 4.47Å; Y90-L93 PolarHBondContact O-N 3.4Å; L91-L93 PolarHBondContact O-N 3.38Å; L93-R101 WeakPolarHBondContact O-CD 3.39Å; L93-R101 PolarHBondContact O-NH1 2.89Å; L93-L102 HydrophobicContact CD2-CD2 4.24Å; L93-N107 HydrophobicContact CD2-CB 3.79Å; L93-N107 WeakPolarHBondContact CD2-O 3.44Å; L93-L110 HydrophobicContact CD1-CD2 4.29Å; L93-L110 HydrophobicContact CD1-CG 4.14Å; L93-L110 HydrophobicContact CG-CD2 4.23Å; L93-L111 HydrophobicContact CD1-CB 4.18Å; L93-L111 HydrophobicContact CD1-CD1 4.36Å; L93-L111 HydrophobicContact CD2-CB 4.4Å
94T95.3Very high94Very high44 Ų4462.6 Ų62.627%0.2736%0.362SS..Hα-helixtrans-109-15-173.358.50000114.9L83 C88 Y90 L91 R101L83-T94 HydrophobicContact CB-CG2 4.31Å; C88-T94 HydrophobicContact CB-CG2 3.88Å; Y90-T94 PolarHBondContact O-N 2.65Å; Y90-T94 PolarHBondContact O-OG1 3.13Å; L91-T94 PolarHBondContact O-N 3.28Å; T94-R101 PolarHBondContact O-NH2 2.85Å
95S90.9Very high94Very high62 Ų6263.3 Ų63.343%0.43435%0.352SS..SBendtrans-116.7160.5-177-57.60000112.6L91 R101L91-S95 WeakPolarHBondContact O-CA 3.4Å; L91-S95 VanDerWaalsContact O-CB 3.24Å; L91-S95 WeakPolarHBondContact O-CB 3.4Å; L91-S95 PolarHBondContact O-N 2.85Å; S95-R101 PolarHBondContact O-NE 2.93Å
96G92.3Very high94Very high67 Ų6764.7 Ų64.769%0.69136%0.358SS*.SBendtrans80-164.7-177.500000113.5V98 R101G96-V98 PolarHBondContact O-N 3.26Å; G96-R101 PolarHBondContact O-NH2 3.05Å
97D94.6Very high94.1Very high82 Ų8264.2 Ų64.244%0.43936%0.355SS..  trans-70118.9-176.7-170.5-6.7000111.5T99 K100 R101D97-T99 PolarHBondContact O-N 3.42Å; D97-T99 PolarHBondContact OD1-OG1 3.24Å; D97-K100 HydrophobicContact CB-CB 4.48Å; D97-K100 HydrophobicContact CB-CD 4.32Å; D97-K100 PolarHBondContact O-N 3.45Å; D97-K100 WeakPolarHBondContact OD2-CD 3.4Å; D97-K100 WeakPolarHBondContact OD2-CE 3.3Å; D97-K100 IonicContact OD2-NZ 2.87Å; D97-K100 PolarHBondContact OD2-NZ 3.41Å; D97-R101 WeakPolarHBondContact O-CG 3.27Å
98V93.9Very high94.4Very high34 Ų3457.6 Ų57.621%0.20632%0.32CS..G310 helixtrans-62.2-40.6-170.6-179.60000111.9Q76 L77 G96 K100 R101Q76-V98 HydrophobicContact CB-CG1 4.47Å; Q76-V98 WeakPolarHBondContact O-CG1 3.26Å; Q76-V98 PolarHBondContact OE1-O 2.87Å; L77-V98 HydrophobicContact CD2-CB 4.35Å; L77-V98 HydrophobicContact CD2-CG1 3.91Å; G96-V98 PolarHBondContact O-N 3.26Å; V98-K100 PolarHBondContact O-N 3.38Å; V98-R101 VanDerWaalsContact CG2-NH2 3.33Å
99T93.1Very high94.5Very high35 Ų3557.1 Ų57.122%0.21532%0.317CS..G310 helixtrans-78.8-1.8-173.360.30000113.9E73 Q76 D97E73-T99 HydrophobicContact CB-CG2 4.03Å; E73-T99 HydrophobicContact CG-CG2 4.08Å; Q76-T99 PolarHBondContact NE2-O 3.36Å; Q76-T99 PolarHBondContact OE1-O 3.39Å; D97-T99 PolarHBondContact O-N 3.42Å; D97-T99 PolarHBondContact OD1-OG1 3.24Å
100K93.6Very high94.6Very high123 Ų12354.2 Ų54.254%0.53530%0.296SS..G310 helixtrans-112-9.9-179.5-64.7-178-178.9130.90113.6D97 V98 L102 L103D97-K100 HydrophobicContact CB-CB 4.48Å; D97-K100 HydrophobicContact CB-CD 4.32Å; D97-K100 PolarHBondContact O-N 3.45Å; D97-K100 WeakPolarHBondContact OD2-CD 3.4Å; D97-K100 WeakPolarHBondContact OD2-CE 3.3Å; D97-K100 IonicContact OD2-NZ 2.87Å; D97-K100 PolarHBondContact OD2-NZ 3.41Å; V98-K100 PolarHBondContact O-N 3.38Å; K100-L102 PolarHBondContact O-N 3.14Å; K100-L103 HydrophobicContact CB-CD1 4.5Å; K100-L103 HydrophobicContact CG-CD1 4.43Å; K100-L103 PolarHBondContact O-N 3.27Å
101R94.3Very high94.8Very high25 Ų2549.8 Ų49.89%0.09428%0.279CS..G310 helixtrans-66.8-39.7-170.2-56.1-171.9-172.3143.94.3111.9S80 L93 T94 S95 G96 D97 V98 L103 N107S80-R101 PolarHBondContact OG-NH1 3.09Å; L93-R101 WeakPolarHBondContact O-CD 3.39Å; L93-R101 PolarHBondContact O-NH1 2.89Å; T94-R101 PolarHBondContact O-NH2 2.85Å; S95-R101 PolarHBondContact O-NE 2.93Å; G96-R101 PolarHBondContact O-NH2 3.05Å; D97-R101 WeakPolarHBondContact O-CG 3.27Å; V98-R101 VanDerWaalsContact CG2-NH2 3.33Å; R101-L103 VanDerWaalsContact C-N 3.33Å; R101-N107 WeakPolarHBondContact O-CB 3.35Å; R101-N107 PolarHBondContact O-ND2 3.38Å
102L96.1Very high94.9Very high6 Ų643.8 Ų43.83%0.03125%0.248CC..G310 helixtrans-97.822.1-177.6-55.1-176.1000112.6G36 A37 F42 F75 Q76 V79 L93 K100 C108 L111G36-L102 CarbonylContact C-O 3.6Å; G36-L102 VanDerWaalsContact CA-O 3.23Å; G36-L102 WeakPolarHBondContact CA-O 3.26Å; A37-L102 HydrophobicContact CB-CB 4Å; A37-L102 PolarHBondContact N-O 3.3Å; F42-L102 HydrophobicContact CE1-CD1 4.41Å; F75-L102 HydrophobicContact CD1-CD1 4.36Å; F75-L102 HydrophobicContact CE1-CD1 3.81Å; Q76-L102 HydrophobicContact CG-CB 4.02Å; Q76-L102 HydrophobicContact CG-CD1 3.97Å; Q76-L102 HydrophobicContact CG-CG 4.12Å; V79-L102 HydrophobicContact CB-CD1 4.38Å; V79-L102 HydrophobicContact CG1-CD1 4.12Å; V79-L102 HydrophobicContact CG2-CD1 4.36Å; L93-L102 HydrophobicContact CD2-CD2 4.24Å; K100-L102 PolarHBondContact O-N 3.14Å; L102-C108 PolarHBondContact O-SG 3.42Å; L102-L111 HydrophobicContact CD1-CD2 3.76Å; L102-L111 HydrophobicContact CD2-CB 4.39Å; L102-L111 HydrophobicContact CD2-CD2 3.81Å; L102-L111 HydrophobicContact CG-CD2 4.47Å
103L93.1Very high95.1Very high92 Ų9243.6 Ų43.648%0.48224%0.244SC..G310 helixtrans-92.2-8163.2-57.1-179.3000111.6K100 R101K100-L103 HydrophobicContact CB-CD1 4.5Å; K100-L103 HydrophobicContact CG-CD1 4.43Å; K100-L103 PolarHBondContact O-N 3.27Å; R101-L103 VanDerWaalsContact C-N 3.33Å
104I94.1Very high95.2Very high90 Ų9043.9 Ų43.946%0.46225%0.245SC..SBendtrans-99.9115.7-178.4-58.3173.6000108.1K106 N107 C108I104-K106 VanDerWaalsContact C-N 3.25Å; I104-K106 HydrophobicContact CG2-CB 4.33Å; I104-K106 PolarHBondContact O-N 3.48Å; I104-K106 VanDerWaalsContact O-N 3.15Å; I104-N107 HydrophobicContact CB-CB 4.15Å; I104-N107 HydrophobicContact CG2-CB 4.5Å; I104-N107 WeakPolarHBondContact O-CA 3.25Å; I104-N107 WeakPolarHBondContact O-CB 3.19Å; I104-N107 PolarHBondContact O-N 3.08Å; I104-C108 PolarHBondContact O-N 3.38Å
105Q94.9Very high95.3Very high62 Ų6241.9 Ų41.929%0.2923%0.233SC..Hα-helixtrans-50.6-43.3-178.5-173.3-177.21100113.2V33 S34 N107 C108 L109V33-Q105 HydrophobicContact CB-CG 4.23Å; V33-Q105 HydrophobicContact CG2-CG 3.75Å; S34-Q105 PolarHBondContact OG-NE2 3.09Å; Q105-N107 VanDerWaalsContact C-N 3.28Å; Q105-N107 PolarHBondContact O-N 3.18Å; Q105-C108 WeakPolarHBondContact O-CB 3.45Å; Q105-C108 PolarHBondContact O-N 2.88Å; Q105-C108 VanDerWaalsContact O-N 3.16Å; Q105-L109 HydrophobicContact CG-CD1 4.37Å; Q105-L109 PolarHBondContact O-N 3.01Å
106K94.9Very high95.6Very high91 Ų9139.1 Ų39.140%0.39621%0.213SC..Hα-helixtrans-61.3-36.3178-173.6167.2-175.11610112.4E2 I104 L110E2-K106 IonicContact OE1-NZ 3.5Å; E2-K106 PolarHBondContact OE1-NZ 3.33Å; E2-K106 IonicContact OE2-NZ 2.68Å; E2-K106 PolarHBondContact OE2-NZ 3.28Å; I104-K106 VanDerWaalsContact C-N 3.25Å; I104-K106 HydrophobicContact CG2-CB 4.33Å; I104-K106 PolarHBondContact O-N 3.48Å; I104-K106 VanDerWaalsContact O-N 3.15Å; K106-L110 VanDerWaalsContact O-CB 3.29Å; K106-L110 WeakPolarHBondContact O-CB 3.29Å; K106-L110 PolarHBondContact O-N 3.26Å
107N96Very high95.8Very high20 Ų2038.1 Ų38.111%0.10720%0.196CC..Hα-helixtrans-73.1-35.8176.1-71.9-7.3000111.7S92 L93 R101 I104 Q105 L110 L111S92-N107 PolarHBondContact O-ND2 3.04Å; L93-N107 HydrophobicContact CD2-CB 3.79Å; L93-N107 WeakPolarHBondContact CD2-O 3.44Å; R101-N107 WeakPolarHBondContact O-CB 3.35Å; R101-N107 PolarHBondContact O-ND2 3.38Å; I104-N107 HydrophobicContact CB-CB 4.15Å; I104-N107 HydrophobicContact CG2-CB 4.5Å; I104-N107 WeakPolarHBondContact O-CA 3.25Å; I104-N107 WeakPolarHBondContact O-CB 3.19Å; I104-N107 PolarHBondContact O-N 3.08Å; Q105-N107 VanDerWaalsContact C-N 3.28Å; Q105-N107 PolarHBondContact O-N 3.18Å; N107-L110 PolarHBondContact O-N 2.89Å; N107-L111 WeakPolarHBondContact O-CB 3.28Å; N107-L111 PolarHBondContact O-N 2.84Å
108C97.4Very high95.9Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-61.4-47.1173.7-65.30000111.5V33 F42 L102 I104 Q105 L111 L112V33-C108 HydrophobicContact CB-CB 4.01Å; V33-C108 HydrophobicContact CG1-CB 4.26Å; F42-C108 HydrophobicContact CD2-CB 4.43Å; F42-C108 HydrophobicContact CE2-CB 3.6Å; F42-C108 HydrophobicContact CZ-CB 3.64Å; L102-C108 PolarHBondContact O-SG 3.42Å; I104-C108 PolarHBondContact O-N 3.38Å; Q105-C108 WeakPolarHBondContact O-CB 3.45Å; Q105-C108 PolarHBondContact O-N 2.88Å; Q105-C108 VanDerWaalsContact O-N 3.16Å; C108-L111 PolarHBondContact O-N 3.23Å; C108-L112 WeakPolarHBondContact O-CG 3.09Å; C108-L112 PolarHBondContact O-N 2.84Å
109L97.1Very high95.9Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-62.7-42.1174.5-70.5168.5000111.9C3 E7 I10 V33 Q105 L111 L112 T113C3-L109 HydrophobicContact CB-CD1 3.77Å; E7-L109 HydrophobicContact CB-CD2 4.49Å; I10-L109 HydrophobicContact CD1-CB 4.35Å; I10-L109 HydrophobicContact CD1-CD2 3.67Å; V33-L109 HydrophobicContact CB-CD2 4.43Å; V33-L109 HydrophobicContact CB-CG 4.42Å; V33-L109 HydrophobicContact CG1-CD2 4.05Å; V33-L109 HydrophobicContact CG1-CG 4.42Å; V33-L109 HydrophobicContact CG2-CD2 4.07Å; V33-L109 HydrophobicContact CG2-CG 4.19Å; Q105-L109 HydrophobicContact CG-CD1 4.37Å; Q105-L109 PolarHBondContact O-N 3.01Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 3.45Å; L109-L112 PolarHBondContact O-N 3.29Å; L109-T113 WeakPolarHBondContact O-CB 3.37Å; L109-T113 PolarHBondContact O-N 3.15Å; L109-T113 PolarHBondContact O-OG1 3.22Å
110L97Very high96Very high30 Ų3037.8 Ų37.816%0.15719%0.186CC..Hα-helixtrans-63.2-40176.6-176.663.4000112.3Y90 S92 L93 K106 N107 Y114Y90-L110 HydrophobicContact CD1-CD1 4.11Å; Y90-L110 HydrophobicContact CD1-CD2 4.07Å; Y90-L110 HydrophobicContact CD1-CG 4.46Å; Y90-L110 HydrophobicContact CD2-CD1 4.34Å; Y90-L110 HydrophobicContact CD2-CG 4.37Å; Y90-L110 HydrophobicContact CE1-CD1 4.01Å; Y90-L110 HydrophobicContact CE2-CD1 4.23Å; Y90-L110 HydrophobicContact CG-CD1 4.28Å; Y90-L110 HydrophobicContact CG-CD2 3.96Å; Y90-L110 HydrophobicContact CG-CG 4.24Å; S92-L110 WeakPolarHBondContact OG-CD2 3.35Å; L93-L110 HydrophobicContact CD1-CD2 4.29Å; L93-L110 HydrophobicContact CD1-CG 4.14Å; L93-L110 HydrophobicContact CG-CD2 4.23Å; K106-L110 VanDerWaalsContact O-CB 3.29Å; K106-L110 WeakPolarHBondContact O-CB 3.29Å; K106-L110 PolarHBondContact O-N 3.26Å; N107-L110 PolarHBondContact O-N 2.89Å; L110-Y114 WeakPolarHBondContact O-CB 3.48Å; L110-Y114 PolarHBondContact O-N 2.91Å
111L97.8Very high96Very high1 Ų133.8 Ų33.81%0.00518%0.177CC..Hα-helixtrans-61.7-48.5175175.564000110.9F42 V79 L83 L93 L102 N107 C108 L109 Y114 L115F42-L111 HydrophobicContact CZ-CD2 4.17Å; V79-L111 HydrophobicContact CG1-CD1 4.14Å; V79-L111 HydrophobicContact CG1-CD2 3.95Å; L83-L111 HydrophobicContact CD1-CD1 4.17Å; L83-L111 HydrophobicContact CD2-CD1 3.86Å; L83-L111 HydrophobicContact CG-CD1 4.4Å; L93-L111 HydrophobicContact CD1-CB 4.18Å; L93-L111 HydrophobicContact CD1-CD1 4.36Å; L93-L111 HydrophobicContact CD2-CB 4.4Å; L102-L111 HydrophobicContact CD1-CD2 3.76Å; L102-L111 HydrophobicContact CD2-CB 4.39Å; L102-L111 HydrophobicContact CD2-CD2 3.81Å; L102-L111 HydrophobicContact CG-CD2 4.47Å; N107-L111 WeakPolarHBondContact O-CB 3.28Å; N107-L111 PolarHBondContact O-N 2.84Å; C108-L111 PolarHBondContact O-N 3.23Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 3.45Å; L111-Y114 PolarHBondContact O-N 3.42Å; L111-L115 HydrophobicContact CD1-CD1 3.99Å; L111-L115 HydrophobicContact CD1-CG 4.07Å; L111-L115 HydrophobicContact CG-CD1 4.03Å; L111-L115 HydrophobicContact CG-CG 4.46Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 2.87Å
112L97.9Very high95.8Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-61.3-46.9178.2-69.1178000111.4I10 L29 V33 F42 L45 L49 C108 L109 Y114 L115 I116I10-L112 HydrophobicContact CD1-CB 4.03Å; L29-L112 HydrophobicContact CD1-CD1 3.94Å; V33-L112 HydrophobicContact CG1-CD1 3.9Å; F42-L112 HydrophobicContact CD2-CD1 4.24Å; F42-L112 HydrophobicContact CE2-CD1 3.94Å; F42-L112 HydrophobicContact CE2-CD2 4.18Å; F42-L112 HydrophobicContact CE2-CG 3.9Å; L45-L112 HydrophobicContact CD2-CD1 3.88Å; L45-L112 HydrophobicContact CD2-CD2 3.67Å; L45-L112 HydrophobicContact CD2-CG 4.42Å; L45-L112 HydrophobicContact CG-CD2 3.92Å; L49-L112 HydrophobicContact CD1-CD2 3.9Å; C108-L112 WeakPolarHBondContact O-CG 3.09Å; C108-L112 PolarHBondContact O-N 2.84Å; L109-L112 PolarHBondContact O-N 3.29Å; L112-Y114 VanDerWaalsContact C-N 3.29Å; L112-Y114 PolarHBondContact O-N 3.46Å; L112-L115 PolarHBondContact O-N 3.25Å; L112-I116 VanDerWaalsContact O-CB 3.29Å; L112-I116 WeakPolarHBondContact O-CB 3.41Å; L112-I116 WeakPolarHBondContact O-CD1 3.38Å; L112-I116 VanDerWaalsContact O-CG1 3.22Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 3.01Å
113T97.2Very high95.6Very high49 Ų4936.3 Ų36.330%0.30119%0.188SC..Hα-helixtrans-56-45.9176.3-53.90000111M6 L109 S117M6-T113 WeakPolarHBondContact CE-OG1 3.42Å; L109-T113 WeakPolarHBondContact O-CB 3.37Å; L109-T113 PolarHBondContact O-N 3.15Å; L109-T113 PolarHBondContact O-OG1 3.22Å; T113-S117 VanDerWaalsContact O-CB 3.32Å; T113-S117 WeakPolarHBondContact O-CB 3.39Å; T113-S117 PolarHBondContact O-N 2.81Å; T113-S117 PolarHBondContact O-OG 3.06Å
114Y97.6Very high95.4Very high8 Ų837.8 Ų37.83%0.03119%0.193CC..Hα-helixtrans-61.5-53.7177.8175.5-113.4000111.7L83 M86 C88 Y90 L110 L111 L112 I116 S117 E118L83-Y114 HydrophobicContact CD2-CD1 3.83Å; L83-Y114 HydrophobicContact CD2-CE1 3.65Å; M86-Y114 HydrophobicContact CE-CD1 4.47Å; M86-Y114 HydrophobicContact CE-CE1 3.7Å; M86-Y114 PolarHBondContact O-OH 3.19Å; C88-Y114 HydrophobicContact CB-CE1 3.86Å; Y90-Y114 HydrophobicContact CD2-CD2 4.18Å; Y90-Y114 HydrophobicContact CD2-CG 4.34Å; Y90-Y114 AromaticContact CE2-CD2 3.77Å; Y90-Y114 HydrophobicContact CE2-CD2 3.77Å; Y90-Y114 HydrophobicContact CE2-CG 4.19Å; L110-Y114 WeakPolarHBondContact O-CB 3.48Å; L110-Y114 PolarHBondContact O-N 2.91Å; L111-Y114 PolarHBondContact O-N 3.42Å; L112-Y114 VanDerWaalsContact C-N 3.29Å; L112-Y114 PolarHBondContact O-N 3.46Å; Y114-I116 VanDerWaalsContact C-N 3.32Å; Y114-I116 PolarHBondContact O-N 2.91Å; Y114-S117 PolarHBondContact O-N 3.01Å; Y114-S117 PolarHBondContact O-OG 3.09Å; Y114-E118 HydrophobicContact CD2-CG 4.04Å; Y114-E118 HydrophobicContact CE1-CG 4.27Å; Y114-E118 HydrophobicContact CE2-CG 3.64Å; Y114-E118 WeakPolarHBondContact CE2-OE1 3.14Å; Y114-E118 WeakPolarHBondContact O-CG 3.32Å; Y114-E118 PolarHBondContact O-N 3.16Å
115L97.5Very high94.9Very high2 Ų239 Ų391%0.0120%0.2CC..Hα-helixtrans-60.7-39.8-179.1-68.3176.3000112.7L49 V50 L53 L82 M86 L111 L112 L119L49-L115 HydrophobicContact CB-CB 4.22Å; L49-L115 HydrophobicContact CB-CD1 4.48Å; L49-L115 HydrophobicContact CD1-CB 3.96Å; L49-L115 HydrophobicContact CD1-CD1 4.41Å; V50-L115 HydrophobicContact CG2-CD1 4.34Å; V50-L115 HydrophobicContact CG2-CD2 4.34Å; L53-L115 HydrophobicContact CD1-CD2 4.07Å; L82-L115 HydrophobicContact CD2-CD2 4.34Å; M86-L115 HydrophobicContact CE-CD2 3.49Å; M86-L115 VanDerWaalsContact CE-CD2 3.49Å; L111-L115 HydrophobicContact CD1-CD1 3.99Å; L111-L115 HydrophobicContact CD1-CG 4.07Å; L111-L115 HydrophobicContact CG-CD1 4.03Å; L111-L115 HydrophobicContact CG-CG 4.46Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 2.87Å; L112-L115 PolarHBondContact O-N 3.25Å; L115-L119 WeakPolarHBondContact O-CB 3.31Å; L115-L119 PolarHBondContact O-N 3.35Å
116I97.8Very high94.2Very high5 Ų537.4 Ų37.43%0.02620%0.196CC..Hα-helixtrans-61.7-51.1174.3-74.5168.4000110.1I10 S13 L14 L17 L49 L112 Y114 E118 L119 E120I10-I116 HydrophobicContact CB-CD1 4.36Å; I10-I116 HydrophobicContact CG1-CD1 4.27Å; I10-I116 HydrophobicContact CG2-CD1 3.79Å; S13-I116 VanDerWaalsContact CB-CG2 3.49Å; L14-I116 HydrophobicContact CD2-CD1 3.92Å; L14-I116 HydrophobicContact CD2-CG1 4.27Å; L14-I116 HydrophobicContact CG-CD1 4.02Å; L17-I116 HydrophobicContact CD1-CB 4.38Å; L17-I116 HydrophobicContact CD1-CG1 4.21Å; L17-I116 HydrophobicContact CD1-CG2 3.91Å; L49-I116 HydrophobicContact CD1-CG1 3.99Å; L49-I116 HydrophobicContact CD2-CG1 3.83Å; L112-I116 VanDerWaalsContact O-CB 3.29Å; L112-I116 WeakPolarHBondContact O-CB 3.41Å; L112-I116 WeakPolarHBondContact O-CD1 3.38Å; L112-I116 VanDerWaalsContact O-CG1 3.22Å; L112-I116 WeakPolarHBondContact O-CG1 3.43Å; L112-I116 PolarHBondContact O-N 3.01Å; Y114-I116 VanDerWaalsContact C-N 3.32Å; Y114-I116 PolarHBondContact O-N 2.91Å; I116-E118 VanDerWaalsContact C-N 3.32Å; I116-E118 PolarHBondContact O-N 2.9Å; I116-L119 PolarHBondContact O-N 3.4Å; I116-L119 VanDerWaalsContact O-N 3.08Å; I116-E120 HydrophobicContact CG2-CG 4.42Å; I116-E120 WeakPolarHBondContact O-CG 3.31Å; I116-E120 PolarHBondContact O-N 3.08Å
117S96.6Very high93.5Very high46 Ų4638.7 Ų38.732%0.32221%0.211SC..Hα-helixtrans-61.7-39.1-17970.40000112.7T113 Y114 A121T113-S117 VanDerWaalsContact O-CB 3.32Å; T113-S117 WeakPolarHBondContact O-CB 3.39Å; T113-S117 PolarHBondContact O-N 2.81Å; T113-S117 PolarHBondContact O-OG 3.06Å; Y114-S117 PolarHBondContact O-N 3.01Å; Y114-S117 PolarHBondContact O-OG 3.09Å; S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.49Å; S117-A121 PolarHBondContact O-N 3.39Å
118E96.1Very high92.4Very high79 Ų7944 Ų4437%0.36924%0.239SC..Hα-helixtrans-67.4-37.7175-69.5-58141.200111.3L53 Y114 I116 A122L53-E118 HydrophobicContact CD2-CB 4.18Å; Y114-E118 HydrophobicContact CD2-CG 4.04Å; Y114-E118 HydrophobicContact CE1-CG 4.27Å; Y114-E118 HydrophobicContact CE2-CG 3.64Å; Y114-E118 WeakPolarHBondContact CE2-OE1 3.14Å; Y114-E118 WeakPolarHBondContact O-CG 3.32Å; Y114-E118 PolarHBondContact O-N 3.16Å; I116-E118 VanDerWaalsContact C-N 3.32Å; I116-E118 PolarHBondContact O-N 2.9Å; E118-A122 WeakPolarHBondContact O-CB 3.45Å; E118-A122 PolarHBondContact O-N 3.38Å
119L95Very high90.8Very high0 Ų047.3 Ų47.30%027%0.267CS..Hα-helixtrans-68.7-44.5177.6179.356.3000111.8L17 L49 E52 L53 L56 L115 I116 A122 R123L17-L119 HydrophobicContact CD1-CD2 4.07Å; L17-L119 HydrophobicContact CD2-CD2 4.13Å; L17-L119 HydrophobicContact CD2-CG 4.08Å; L49-L119 HydrophobicContact CD2-CD2 3.93Å; E52-L119 HydrophobicContact CB-CD1 3.81Å; E52-L119 HydrophobicContact CB-CD2 3.69Å; E52-L119 HydrophobicContact CB-CG 4.44Å; E52-L119 HydrophobicContact CG-CD2 4.39Å; L53-L119 HydrophobicContact CD2-CB 4Å; L53-L119 HydrophobicContact CD2-CD1 4.22Å; L53-L119 HydrophobicContact CG-CB 4Å; L53-L119 HydrophobicContact CG-CD1 4.13Å; L56-L119 HydrophobicContact CD1-CD1 3.87Å; L115-L119 WeakPolarHBondContact O-CB 3.31Å; L115-L119 PolarHBondContact O-N 3.35Å; I116-L119 PolarHBondContact O-N 3.4Å; I116-L119 VanDerWaalsContact O-N 3.08Å; L119-A122 PolarHBondContact O-N 2.84Å; L119-R123 HydrophobicContact CD1-CG 4.32Å; L119-R123 WeakPolarHBondContact O-CB 3.39Å; L119-R123 WeakPolarHBondContact O-CG 3.46Å; L119-R123 PolarHBondContact O-N 3.33Å
120E94.4Very high89.2Confident64 Ų6451.6 Ų51.630%0.29930%0.295SS..Hα-helixtrans-59.2-48.3173.4-72175.8168.400110.6S13 L17 I116 A122 R123 M124S13-E120 WeakPolarHBondContact CB-OE1 3.34Å; S13-E120 PolarHBondContact OG-OE1 2.86Å; L17-E120 HydrophobicContact CD1-CG 4.3Å; L17-E120 HydrophobicContact CD2-CG 3.83Å; L17-E120 HydrophobicContact CG-CG 4.24Å; I116-E120 HydrophobicContact CG2-CG 4.42Å; I116-E120 WeakPolarHBondContact O-CG 3.31Å; I116-E120 PolarHBondContact O-N 3.08Å; E120-A122 PolarHBondContact O-N 3.49Å; E120-R123 PolarHBondContact O-N 3.23Å; E120-M124 WeakPolarHBondContact O-CB 3.35Å; E120-M124 VanDerWaalsContact O-CG 3.3Å; E120-M124 WeakPolarHBondContact O-CG 3.34Å; E120-M124 PolarHBondContact O-N 2.98Å
121A93.5Very high86.9Confident40 Ų4053.5 Ų53.533%0.33131%0.309SS..Hα-helixtrans-59.4-45.7176.100000111.6S117 R123 M124 L125S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.49Å; S117-A121 PolarHBondContact O-N 3.39Å; A121-R123 PolarHBondContact O-N 3.15Å; A121-M124 PolarHBondContact O-N 2.75Å; A121-L125 WeakPolarHBondContact O-CB 3.36Å; A121-L125 VanDerWaalsContact O-CG 3.26Å; A121-L125 WeakPolarHBondContact O-CG 3.16Å; A121-L125 PolarHBondContact O-N 3Å
122A90.7Very high84.8Confident9 Ų962.5 Ų62.57%0.07435%0.348CS..Hα-helixtrans-60.7-43.2176.500000111.6L53 L56 E118 L119 E120 L125 C126L53-A122 HydrophobicContact CD2-CB 4.28Å; L56-A122 HydrophobicContact CB-CB 4.1Å; L56-A122 HydrophobicContact CD1-CB 4Å; E118-A122 WeakPolarHBondContact O-CB 3.45Å; E118-A122 PolarHBondContact O-N 3.38Å; L119-A122 PolarHBondContact O-N 2.84Å; E120-A122 PolarHBondContact O-N 3.49Å; A122-L125 PolarHBondContact O-N 3.3Å; A122-C126 WeakPolarHBondContact O-CB 3.35Å; A122-C126 PolarHBondContact O-N 3.24Å; A122-C126 PolarHBondContact O-SG 3.02Å
123R91Very high82.1Confident75 Ų7571.4 Ų71.428%0.28339%0.387SS..Hα-helixtrans-64.3-43.9175.6-75.1179.3173.6-169.22.6111.6L17 E52 L56 L119 E120 A121 L125 C126 V127L17-R123 PolarHBondContact O-NH1 2.98Å; L17-R123 PolarHBondContact O-NH2 2.87Å; E52-R123 IonicContact OE2-CZ 2.82Å; E52-R123 IonicContact OE2-NH2 3.88Å; E52-R123 PolarHBondContact OE2-NH2 2.88Å; L56-R123 HydrophobicContact CD1-CB 4.39Å; L56-R123 HydrophobicContact CD1-CG 3.46Å; L56-R123 VanDerWaalsContact CD1-CG 3.46Å; L119-R123 HydrophobicContact CD1-CG 4.32Å; L119-R123 WeakPolarHBondContact O-CB 3.39Å; L119-R123 WeakPolarHBondContact O-CG 3.46Å; L119-R123 PolarHBondContact O-N 3.33Å; E120-R123 PolarHBondContact O-N 3.23Å; A121-R123 PolarHBondContact O-N 3.15Å; R123-L125 PolarHBondContact O-N 2.55Å; R123-C126 CarbonylContact O-C 3.19Å; R123-C126 WeakPolarHBondContact O-CA 3.49Å; R123-C126 WeakPolarHBondContact O-CB 3.16Å; R123-C126 PolarHBondContact O-N 3.13Å; R123-C126 VanDerWaalsContact O-N 3.14Å; R123-V127 WeakPolarHBondContact O-CG2 3.23Å; R123-V127 PolarHBondContact O-N 3.36Å
124M89.2Confident79.4Confident122 Ų12273.9 Ų73.960%0.60141%0.412SS*.Hα-helixtrans-62.2-42.6175.7-71.8178.772.700112E120 A121 C126 V127 N128E120-M124 WeakPolarHBondContact O-CB 3.35Å; E120-M124 VanDerWaalsContact O-CG 3.3Å; E120-M124 WeakPolarHBondContact O-CG 3.34Å; E120-M124 PolarHBondContact O-N 2.98Å; A121-M124 PolarHBondContact O-N 2.75Å; M124-C126 VanDerWaalsContact C-N 3.29Å; M124-C126 PolarHBondContact O-N 3.23Å; M124-V127 PolarHBondContact O-N 2.91Å; M124-V127 VanDerWaalsContact O-N 3.11Å; M124-N128 PolarHBondContact O-N 2.72Å; M124-N128 PolarHBondContact O-ND2 3.32Å
125L83.9Confident76.7Confident116 Ų11680.6 Ų80.661%0.60744%0.443SS*.Hα-helixtrans-61.7-39.1173.3-72.5173.2000111.1A121 A122 R123 V127 N128 A129A121-L125 WeakPolarHBondContact O-CB 3.36Å; A121-L125 VanDerWaalsContact O-CG 3.26Å; A121-L125 WeakPolarHBondContact O-CG 3.16Å; A121-L125 PolarHBondContact O-N 3Å; A122-L125 PolarHBondContact O-N 3.3Å; R123-L125 PolarHBondContact O-N 2.55Å; L125-V127 VanDerWaalsContact C-N 3.3Å; L125-V127 PolarHBondContact O-N 2.71Å; L125-N128 PolarHBondContact O-N 2.87Å; L125-A129 CarbonylContact O-C 3.55Å; L125-A129 WeakPolarHBondContact O-CA 3.43Å; L125-A129 PolarHBondContact O-N 3.46Å
126C79.8Confident74Confident28 Ų2889.8 Ų89.819%0.18949%0.486CS..Hα-helixtrans-68.2-23.9173.5-67.10000113.6A122 R123 M124 P130 P131A122-C126 WeakPolarHBondContact O-CB 3.35Å; A122-C126 PolarHBondContact O-N 3.24Å; A122-C126 PolarHBondContact O-SG 3.02Å; R123-C126 CarbonylContact O-C 3.19Å; R123-C126 WeakPolarHBondContact O-CA 3.49Å; R123-C126 WeakPolarHBondContact O-CB 3.16Å; R123-C126 PolarHBondContact O-N 3.13Å; R123-C126 VanDerWaalsContact O-N 3.14Å; M124-C126 VanDerWaalsContact C-N 3.29Å; M124-C126 PolarHBondContact O-N 3.23Å; C126-P130 WeakPolarHBondContact O-CA 3.22Å; C126-P130 WeakPolarHBondContact O-CB 3.29Å; C126-P130 VanDerWaalsContact O-N 3.15Å; C126-P131 HydrophobicContact CB-CG 4.3Å; C126-P131 WeakPolarHBondContact SG-CD 3.32Å
127V79.9Confident71.6Confident119 Ų11991.6 Ų91.672%0.72151%0.506SS*.Hα-helixtrans-78.2-42.5172.4173.10000110.6R123 M124 L125R123-V127 WeakPolarHBondContact O-CG2 3.23Å; R123-V127 PolarHBondContact O-N 3.36Å; M124-V127 PolarHBondContact O-N 2.91Å; M124-V127 VanDerWaalsContact O-N 3.11Å; L125-V127 VanDerWaalsContact C-N 3.3Å; L125-V127 PolarHBondContact O-N 2.71Å
128N72.7Confident69.1Low131 Ų13192.7 Ų92.770%0.70153%0.525SS*.Hα-helixtrans-76.8-30.4-177.9-68.9-34000113.2M124 L125M124-N128 PolarHBondContact O-N 2.72Å; M124-N128 PolarHBondContact O-ND2 3.32Å; L125-N128 PolarHBondContact O-N 2.87Å
129A64.9Low67.4Low70 Ų7089.3 Ų89.358%0.57951%0.512SS*.SBendtrans-145.374.9179.400000108.5L125L125-A129 CarbonylContact O-C 3.55Å; L125-A129 WeakPolarHBondContact O-CA 3.43Å; L125-A129 PolarHBondContact O-N 3.46Å
130P62Low66.6Low90 Ų9090.9 Ų90.958%0.58452%0.523SS*.  trans-48.7128.6-176.915.7-28.8000111C126 K132C126-P130 WeakPolarHBondContact O-CA 3.22Å; C126-P130 WeakPolarHBondContact O-CB 3.29Å; C126-P130 VanDerWaalsContact O-N 3.15Å; P130-K132 PolarHBondContact O-N 2.72Å
131P50.5Low65.9Low70 Ų7095.5 Ų95.546%0.45554%0.544SS..  trans-54.2117178.621.5-30.3000103.6C126 K133C126-P131 HydrophobicContact CB-CG 4.3Å; C126-P131 WeakPolarHBondContact SG-CD 3.32Å; P131-K133 PolarHBondContact O-N 2.83Å
132K51.9Low65.3Low189 Ų18997.4 Ų97.482%0.82255%0.551SS**  trans-55.1103.5168-68178.1-177.8177.70101.8P130 A134P130-K132 PolarHBondContact O-N 2.72Å; K132-A134 PolarHBondContact O-N 3.19Å
133K42.4Very low64.9Low188 Ų18898 Ų9882%0.81755%0.552SS**  trans-40127.6161.4-75.2-170.6175.7-170.40103.1P131 Q135P131-K133 PolarHBondContact O-N 2.83Å; K133-Q135 PolarHBondContact O-N 3.13Å
134A40.9Very low64.5Low100 Ų10097.9 Ų97.983%0.82656%0.555SS**  trans-56.486.2167.700000105K132 E136K132-A134 PolarHBondContact O-N 3.19Å; A134-E136 PolarHBondContact O-N 3.25Å
135Q41.1Very low64.4Low149 Ų14998 Ų9870%0.69655%0.554SS**  trans-79.889.3173.9-155.7177.310.40099.1K133 G137 G138K133-Q135 PolarHBondContact O-N 3.13Å; Q135-G137 VanDerWaalsContact C-N 3.29Å; Q135-G137 CarbonylContact O-C 3.53Å; Q135-G137 VanDerWaalsContact O-C 3.31Å; Q135-G137 WeakPolarHBondContact O-CA 3.29Å; Q135-G137 PolarHBondContact O-N 3.31Å; Q135-G138 PolarHBondContact O-N 3.12Å
136E40.8Very low64.6Low195 Ų19593.2 Ų93.291%0.91153%0.529SS*.SBendtrans-38.1105.8154-69.2177.4148.900106A134A134-E136 PolarHBondContact O-N 3.25Å
137G46.8Very low65Low43 Ų4394.7 Ų94.744%0.44353%0.532SS..  trans129.722.7-154.600000114.2Q135 G139Q135-G137 VanDerWaalsContact C-N 3.29Å; Q135-G137 CarbonylContact O-C 3.53Å; Q135-G137 VanDerWaalsContact O-C 3.31Å; Q135-G137 WeakPolarHBondContact O-CA 3.29Å; Q135-G137 PolarHBondContact O-N 3.31Å; G137-G139 PolarHBondContact O-N 3.01Å
138G44.7Very low65.4Low70 Ų7090.7 Ų90.772%0.72252%0.515SS*.  trans-59.587.3165.500000110.1Q135Q135-G138 PolarHBondContact O-N 3.12Å
139G59.7Low66.2Low8 Ų887.7 Ų87.78%0.08250%0.498CS..  trans-57.5160.9168.100000110.3G137G137-G139 PolarHBondContact O-N 3.01Å
140S78.9Confident67.5Low33 Ų3384.6 Ų84.623%0.23147%0.472CS..  trans-48.2158.2179.763.40000113V142 F143 Q144 F496S140-V142 PolarHBondContact O-N 3.12Å; S140-V142 VanDerWaalsContact O-N 3.13Å; S140-F143 WeakPolarHBondContact O-CA 3.41Å; S140-F143 VanDerWaalsContact O-CB 3.25Å; S140-F143 WeakPolarHBondContact O-CB 3.48Å; S140-F143 PolarHBondContact O-N 3.16Å; S140-F143 PolarHBondContact OG-N 3.26Å; S140-Q144 PolarHBondContact O-N 2.81Å; S140-Q144 VanDerWaalsContact O-N 3.13Å; S140-F496 VanDerWaalsContact CB-O 3.27Å; S140-F496 WeakPolarHBondContact CB-O 3.5Å; S140-F496 PolarHBondContact OG-O 3.26Å
141E78Confident68.8Low161 Ų16185.1 Ų85.175%0.75247%0.469SS*.Hα-helixtrans-49-41172.9-174.4175.9-170.200111.6F143 Q144 E145E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 2.75Å; E141-Q144 PolarHBondContact O-N 2.85Å; E141-Q144 VanDerWaalsContact O-N 3.13Å; E141-E145 WeakPolarHBondContact O-CG 3.33Å; E141-E145 PolarHBondContact O-N 3.24Å
142V81.3Confident70.8Confident79 Ų7986 Ų8648%0.47948%0.482SS..Hα-helixtrans-59.1-41.6174.8-177.90000112.2S140 Q144 E145 L146 F496S140-V142 PolarHBondContact O-N 3.12Å; S140-V142 VanDerWaalsContact O-N 3.13Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; V142-E145 PolarHBondContact O-N 3.45Å; V142-L146 HydrophobicContact CG1-CD1 4.15Å; V142-L146 HydrophobicContact CG1-CG 4.47Å; V142-L146 WeakPolarHBondContact O-CG 3.21Å; V142-L146 PolarHBondContact O-N 3.27Å; V142-F496 HydrophobicContact CG1-CD1 4.16Å; V142-F496 HydrophobicContact CG1-CE1 4.19Å
143F83.1Confident72.7Confident22 Ų2278.1 Ų78.110%0.09645%0.449CS..Hα-helixtrans-62.6-42.3175.9179.9-102.6000111.8S140 E141 L146 K147 E493 F496S140-F143 WeakPolarHBondContact O-CA 3.41Å; S140-F143 VanDerWaalsContact O-CB 3.25Å; S140-F143 WeakPolarHBondContact O-CB 3.48Å; S140-F143 PolarHBondContact O-N 3.16Å; S140-F143 PolarHBondContact OG-N 3.26Å; E141-F143 VanDerWaalsContact C-N 3.34Å; E141-F143 PolarHBondContact O-N 2.75Å; F143-L146 PolarHBondContact O-N 3.41Å; F143-K147 HydrophobicContact CE1-CD 4.43Å; F143-K147 VanDerWaalsContact O-CB 3.26Å; F143-K147 WeakPolarHBondContact O-CB 3.2Å; F143-K147 PolarHBondContact O-N 3.24Å; F143-E493 HydrophobicContact CE2-CG 4.15Å; F143-E493 HydrophobicContact CZ-CG 4.25Å; F143-F496 HydrophobicContact CB-CB 4.01Å; F143-F496 HydrophobicContact CD2-CB 3.82Å; F143-F496 HydrophobicContact CG-CB 4.36Å
144Q83.1Confident74.9Confident72 Ų7272.1 Ų72.134%0.33644%0.441SS..Hα-helixtrans-65.1-40.6178.9-61.1-61.1-27.300111.5S140 E141 V142 K147 G148S140-Q144 PolarHBondContact O-N 2.81Å; S140-Q144 VanDerWaalsContact O-N 3.13Å; E141-Q144 PolarHBondContact O-N 2.85Å; E141-Q144 VanDerWaalsContact O-N 3.13Å; V142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-K147 PolarHBondContact O-N 3.12Å; Q144-G148 PolarHBondContact O-N 3.36Å
145E85.8Confident77.3Confident124 Ų12469.3 Ų69.358%0.57941%0.411SS*.Hα-helixtrans-62.5-48.7174.8-72.4-61.5151.400111.8E141 V142 K147 G148 I149E141-E145 WeakPolarHBondContact O-CG 3.33Å; E141-E145 PolarHBondContact O-N 3.24Å; V142-E145 PolarHBondContact O-N 3.45Å; E145-K147 VanDerWaalsContact C-N 3.31Å; E145-K147 PolarHBondContact O-N 2.65Å; E145-G148 WeakPolarHBondContact O-CA 3.5Å; E145-G148 PolarHBondContact O-N 2.84Å; E145-G148 VanDerWaalsContact O-N 3.11Å; E145-I149 WeakPolarHBondContact O-CG1 3.49Å; E145-I149 PolarHBondContact O-N 2.98Å
146L89.3Confident79.5Confident17 Ų1767.1 Ų67.19%0.08941%0.412CS..Hα-helixtrans-62.5-38.7177.7-70.1176.2000112.2V142 F143 I149 C150 F167 F168 F496V142-L146 HydrophobicContact CG1-CD1 4.15Å; V142-L146 HydrophobicContact CG1-CG 4.47Å; V142-L146 WeakPolarHBondContact O-CG 3.21Å; V142-L146 PolarHBondContact O-N 3.27Å; F143-L146 PolarHBondContact O-N 3.41Å; L146-I149 HydrophobicContact CD2-CD1 4.4Å; L146-I149 PolarHBondContact O-N 3.21Å; L146-C150 PolarHBondContact O-N 2.86Å; L146-C150 PolarHBondContact O-SG 3.16Å; L146-F167 HydrophobicContact CB-CE1 4.43Å; L146-F167 HydrophobicContact CB-CZ 4.42Å; L146-F167 HydrophobicContact CD1-CE1 4.24Å; L146-F167 HydrophobicContact CD2-CE1 4.21Å; L146-F168 HydrophobicContact CD2-CE1 3.92Å; L146-F168 HydrophobicContact CD2-CZ 4.13Å; L146-F496 HydrophobicContact CD1-CD1 3.95Å; L146-F496 HydrophobicContact CD1-CE1 3.36Å; L146-F496 HydrophobicContact CD1-CE2 4.15Å; L146-F496 HydrophobicContact CD1-CZ 3.42Å; L146-F496 VanDerWaalsContact CD1-CZ 3.42Å
147K86.4Confident81.5Confident58 Ų5863 Ų6325%0.25239%0.391SS..Hα-helixtrans-62.5-44.6172.8-178.8-179.8178.1-178.40110.9F143 Q144 E145 I149 C150 I151F143-K147 HydrophobicContact CE1-CD 4.43Å; F143-K147 VanDerWaalsContact O-CB 3.26Å; F143-K147 WeakPolarHBondContact O-CB 3.2Å; F143-K147 PolarHBondContact O-N 3.24Å; Q144-K147 PolarHBondContact O-N 3.12Å; E145-K147 VanDerWaalsContact C-N 3.31Å; E145-K147 PolarHBondContact O-N 2.65Å; K147-I149 VanDerWaalsContact C-N 3.34Å; K147-I149 PolarHBondContact O-N 3.22Å; K147-C150 PolarHBondContact O-N 2.77Å; K147-I151 HydrophobicContact CG-CD1 3.99Å; K147-I151 WeakPolarHBondContact O-CG1 3.4Å; K147-I151 PolarHBondContact O-N 3.36Å
148G88.4Confident83.3Confident35 Ų3562 Ų6236%0.36138%0.377SS..Hα-helixtrans-57.1-45.8175.400000112.2Q144 E145 C150 I151 A152Q144-G148 PolarHBondContact O-N 3.36Å; E145-G148 WeakPolarHBondContact O-CA 3.5Å; E145-G148 PolarHBondContact O-N 2.84Å; E145-G148 VanDerWaalsContact O-N 3.11Å; G148-C150 PolarHBondContact O-N 3.3Å; G148-I151 PolarHBondContact O-N 2.88Å; G148-A152 WeakPolarHBondContact O-CB 3.48Å; G148-A152 PolarHBondContact O-N 3.18Å
149I91.3Very high85.2Confident69 Ų6962.3 Ų62.335%0.35437%0.366SS..Hα-helixtrans-58.8-46.3175.3-67.9166.6000111.1E145 L146 K147 I151 A152 L153 I171E145-I149 WeakPolarHBondContact O-CG1 3.49Å; E145-I149 PolarHBondContact O-N 2.98Å; L146-I149 HydrophobicContact CD2-CD1 4.4Å; L146-I149 PolarHBondContact O-N 3.21Å; K147-I149 VanDerWaalsContact C-N 3.34Å; K147-I149 PolarHBondContact O-N 3.22Å; I149-I151 VanDerWaalsContact C-N 3.35Å; I149-I151 PolarHBondContact O-N 3.21Å; I149-A152 PolarHBondContact O-N 3.08Å; I149-L153 HydrophobicContact CG2-CD1 3.73Å; I149-L153 HydrophobicContact CG2-CG 4.4Å; I149-L153 WeakPolarHBondContact O-CB 3.36Å; I149-L153 VanDerWaalsContact O-CG 3.32Å; I149-L153 WeakPolarHBondContact O-CG 3.48Å; I149-L153 PolarHBondContact O-N 2.85Å; I149-I171 HydrophobicContact CG2-CD1 4.31Å; I149-I171 HydrophobicContact CG2-CG2 4.05Å
150C90.9Very high86.1Confident4 Ų465.2 Ų65.23%0.02739%0.389CS..Hα-helixtrans-61.3-43.5179.3-66.90000111.9L146 K147 G148 L153 G154 M155L146-C150 PolarHBondContact O-N 2.86Å; L146-C150 PolarHBondContact O-SG 3.16Å; K147-C150 PolarHBondContact O-N 2.77Å; G148-C150 PolarHBondContact O-N 3.3Å; C150-L153 PolarHBondContact O-N 3.36Å; C150-G154 PolarHBondContact O-N 3.19Å; C150-G154 VanDerWaalsContact O-N 3.16Å; C150-M155 HydrophobicContact CB-CB 4.22Å; C150-M155 WeakPolarHBondContact O-CB 3.34Å; C150-M155 PolarHBondContact O-N 3.09Å
151I90.1Very high86.5Confident101 Ų10170.1 Ų70.152%0.51841%0.413SS..Hα-helixtrans-64.5-47.4178.1-67.1168.1000110.2K147 G148 I149 L153 G154K147-I151 HydrophobicContact CG-CD1 3.99Å; K147-I151 WeakPolarHBondContact O-CG1 3.4Å; K147-I151 PolarHBondContact O-N 3.36Å; G148-I151 PolarHBondContact O-N 2.88Å; I149-I151 VanDerWaalsContact C-N 3.35Å; I149-I151 PolarHBondContact O-N 3.21Å; I151-L153 VanDerWaalsContact C-N 3.25Å; I151-L153 PolarHBondContact O-N 2.75Å; I151-G154 PolarHBondContact O-N 2.93Å
152A91.6Very high87Confident89 Ų8964 Ų6474%0.73639%0.385SS*.Hα-helixtrans-61-34.8179.300000112.5G148 I149 G154G148-A152 WeakPolarHBondContact O-CB 3.48Å; G148-A152 PolarHBondContact O-N 3.18Å; I149-A152 PolarHBondContact O-N 3.08Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 3.25Å
153L91.7Very high87.5Confident23 Ų2363.6 Ų63.612%0.1238%0.383CS..THydrogen-bonded Turntrans-82.9-0.8176-68.3176.1000113.7I149 C150 I151 M155 I171 K174 L175I149-L153 HydrophobicContact CG2-CD1 3.73Å; I149-L153 HydrophobicContact CG2-CG 4.4Å; I149-L153 WeakPolarHBondContact O-CB 3.36Å; I149-L153 VanDerWaalsContact O-CG 3.32Å; I149-L153 WeakPolarHBondContact O-CG 3.48Å; I149-L153 PolarHBondContact O-N 2.85Å; C150-L153 PolarHBondContact O-N 3.36Å; I151-L153 VanDerWaalsContact C-N 3.25Å; I151-L153 PolarHBondContact O-N 2.75Å; L153-M155 VanDerWaalsContact C-N 3.28Å; L153-M155 HydrophobicContact CB-CG 3.92Å; L153-M155 HydrophobicContact CB-SD 4.09Å; L153-M155 HydrophobicContact CD1-SD 4.09Å; L153-M155 PolarHBondContact O-N 2.92Å; L153-I171 HydrophobicContact CD1-CG2 3.91Å; L153-K174 HydrophobicContact CB-CB 4.46Å; L153-K174 HydrophobicContact CB-CG 3.83Å; L153-K174 HydrophobicContact CD1-CB 4.4Å; L153-K174 VanDerWaalsContact O-CE 3.28Å; L153-K174 WeakPolarHBondContact O-CE 3.48Å; L153-K174 WeakPolarHBondContact O-CG 3.35Å; L153-L175 HydrophobicContact CD2-CD1 4.22Å
154G90.3Very high87.6Confident63 Ų6365.7 Ų65.765%0.64939%0.394SS*.THydrogen-bonded Turntrans63.531.8-177.900000113.3C150 I151 A152C150-G154 PolarHBondContact O-N 3.19Å; C150-G154 VanDerWaalsContact O-N 3.16Å; I151-G154 PolarHBondContact O-N 2.93Å; A152-G154 VanDerWaalsContact C-N 3.28Å; A152-G154 PolarHBondContact O-N 3.25Å
155M90.4Very high87.9Confident41 Ų4170 Ų7020%0.20241%0.412CS..PPolyproline II helixtrans-81.5141.5178.4-62.7176.567.400110.6C150 L153 I171 K174C150-M155 HydrophobicContact CB-CB 4.22Å; C150-M155 WeakPolarHBondContact O-CB 3.34Å; C150-M155 PolarHBondContact O-N 3.09Å; L153-M155 VanDerWaalsContact C-N 3.28Å; L153-M155 HydrophobicContact CB-CG 3.92Å; L153-M155 HydrophobicContact CB-SD 4.09Å; L153-M155 HydrophobicContact CD1-SD 4.09Å; L153-M155 PolarHBondContact O-N 2.92Å; M155-I171 HydrophobicContact CE-CG1 4.13Å; M155-I171 HydrophobicContact SD-CG1 3.99Å; M155-K174 HydrophobicContact CG-CB 4.29Å; M155-K174 HydrophobicContact CG-CG 3.94Å; M155-K174 HydrophobicContact SD-CB 4.13Å; M155-K174 HydrophobicContact SD-CG 4.38Å
156S87Confident88.2Confident102 Ų10269.4 Ų69.471%0.71341%0.409SS*.PPolyproline II helixtrans-69.2164.9170.957.50000111.3
157K83.9Confident88.4Confident108 Ų10868.8 Ų68.847%0.4741%0.406SS..PPolyproline II helixtrans-53.5125.9173-175.5165.7-171.5177.40110.3W478 E493K157-W478 HydrophobicContact CB-CD2 4.28Å; K157-W478 HydrophobicContact CB-CH2 3.75Å; K157-W478 HydrophobicContact CB-CZ2 3.41Å; K157-W478 VanDerWaalsContact CB-CZ2 3.41Å; K157-W478 HydrophobicContact CB-CZ3 4.29Å; K157-W478 HydrophobicContact CD-CE3 4.07Å; K157-W478 HydrophobicContact CD-CH2 3.64Å; K157-W478 HydrophobicContact CD-CZ2 4.24Å; K157-W478 HydrophobicContact CD-CZ3 3.53Å; K157-W478 HydrophobicContact CG-CE3 4.49Å; K157-W478 HydrophobicContact CG-CH2 3.39Å; K157-W478 HydrophobicContact CG-CZ2 3.63Å; K157-W478 HydrophobicContact CG-CZ3 3.85Å; K157-E493 WeakPolarHBondContact CE-OE1 3.35Å; K157-E493 IonicContact NZ-OE1 2.64Å; K157-E493 PolarHBondContact NZ-OE1 3.43Å
158P83.8Confident88.7Confident23 Ų2370.5 Ų70.515%0.14941%0.413CS..PPolyproline II helixtrans-61144.1176.7-20.130.7000110.8I162 F167P158-I162 HydrophobicContact CB-CD1 4.17Å; P158-I162 HydrophobicContact CB-CG2 3.87Å; P158-F167 HydrophobicContact CB-CD2 4.24Å; P158-F167 HydrophobicContact CB-CE2 4.43Å; P158-F167 HydrophobicContact CG-CD2 3.91Å; P158-F167 HydrophobicContact CG-CE2 3.61Å
159P84.9Confident89Confident76 Ų7670.8 Ų70.849%0.49441%0.41SS..PPolyproline II helixtrans-56.1145.7171.9-24.434.1000111.8N161 I162P159-N161 VanDerWaalsContact CB-OD1 3.3Å; P159-N161 WeakPolarHBondContact CB-OD1 3.49Å; P159-N161 PolarHBondContact O-N 2.98Å; P159-N161 VanDerWaalsContact O-N 3.08Å; P159-I162 WeakPolarHBondContact O-CB 3.46Å; P159-I162 VanDerWaalsContact O-CG2 3.26Å; P159-I162 WeakPolarHBondContact O-CG2 3.48Å; P159-I162 PolarHBondContact O-N 2.86Å
160A78.9Confident89.1Confident69 Ų6968.8 Ų68.857%0.5741%0.406SS*.THydrogen-bonded Turntrans-60.8-22.6-17700000114
161N86.7Confident89.3Confident136 Ų13669.6 Ų69.673%0.72741%0.41SS*.THydrogen-bonded Turntrans-101.512.3-179.565.4-31.4000113.7P159P159-N161 VanDerWaalsContact CB-OD1 3.3Å; P159-N161 WeakPolarHBondContact CB-OD1 3.49Å; P159-N161 PolarHBondContact O-N 2.98Å; P159-N161 VanDerWaalsContact O-N 3.08Å
162I88.9Confident89.5Confident33 Ų3369.4 Ų69.417%0.16941%0.407CS..  trans-66.1135.9179.4-163169.9000110.9P158 P159 Q166 F167 F492P158-I162 HydrophobicContact CB-CD1 4.17Å; P158-I162 HydrophobicContact CB-CG2 3.87Å; P159-I162 WeakPolarHBondContact O-CB 3.46Å; P159-I162 VanDerWaalsContact O-CG2 3.26Å; P159-I162 WeakPolarHBondContact O-CG2 3.48Å; P159-I162 PolarHBondContact O-N 2.86Å; I162-Q166 HydrophobicContact CD1-CB 4.31Å; I162-Q166 HydrophobicContact CG1-CB 3.76Å; I162-F167 HydrophobicContact CD1-CB 3.92Å; I162-F167 HydrophobicContact CD1-CD2 4.26Å; I162-F167 HydrophobicContact CG1-CB 4.24Å; I162-F492 HydrophobicContact CG2-CB 4.33Å; I162-F492 HydrophobicContact CG2-CD2 3.64Å; I162-F492 HydrophobicContact CG2-CE2 4.07Å; I162-F492 HydrophobicContact CG2-CG 3.95Å
163T90.3Very high89.6Confident70 Ų7071.6 Ų71.643%0.42940%0.4SS..  trans-81.5157172.5690000111.2F165 Q166 F167T163-F165 PolarHBondContact O-N 3.4Å; T163-Q166 VanDerWaalsContact N-OE1 3.17Å; T163-Q166 PolarHBondContact O-N 2.81Å; T163-Q166 WeakPolarHBondContact OG1-CB 3.31Å; T163-Q166 VanDerWaalsContact OG1-CG 3.27Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.35Å; T163-Q166 PolarHBondContact OG1-N 3.49Å; T163-Q166 PolarHBondContact OG1-OE1 2.94Å; T163-F167 WeakPolarHBondContact O-CB 3.39Å; T163-F167 PolarHBondContact O-N 3.43Å
164M86.5Confident89.8Confident66 Ų6673.4 Ų73.433%0.32541%0.407SS..Hα-helixtrans-54.5-42176-69.8-61.7-70.800112.8F167 F168 F496M164-F167 PolarHBondContact O-N 3.27Å; M164-F168 HydrophobicContact CE-CD2 4.39Å; M164-F168 HydrophobicContact CE-CE2 3.66Å; M164-F168 WeakPolarHBondContact O-CD2 3.43Å; M164-F168 PolarHBondContact O-N 3.19Å; M164-F496 HydrophobicContact CE-CE1 4.03Å; M164-F496 HydrophobicContact CE-CE2 3.8Å; M164-F496 HydrophobicContact CE-CZ 3.17Å; M164-F496 HydrophobicContact SD-CE2 3.41Å; M164-F496 WeakPolarHBondContact SD-CE2 3.48Å; M164-F496 HydrophobicContact SD-CZ 3.49Å; M164-F496 WeakPolarHBondContact SD-CZ 3.36Å
165F89.4Confident89.9Confident164 Ų16474.5 Ų74.572%0.71940%0.397SS*.Hα-helixtrans-63-50.9177.8-177-96000111.1T163 F167 F168 S169T163-F165 PolarHBondContact O-N 3.4Å; F165-F167 VanDerWaalsContact C-N 3.27Å; F165-F167 PolarHBondContact O-N 3.02Å; F165-F168 PolarHBondContact O-N 3.46Å; F165-S169 WeakPolarHBondContact O-CB 3.34Å; F165-S169 PolarHBondContact O-N 3.48Å; F165-S169 PolarHBondContact O-OG 3.25Å
166Q91.7Very high90Very high111 Ų11178.7 Ų78.752%0.51942%0.415SS..Hα-helixtrans-59.9-38.9177.9-73.7169.6-24.900112.2I162 T163 G170I162-Q166 HydrophobicContact CD1-CB 4.31Å; I162-Q166 HydrophobicContact CG1-CB 3.76Å; T163-Q166 VanDerWaalsContact N-OE1 3.17Å; T163-Q166 PolarHBondContact O-N 2.81Å; T163-Q166 WeakPolarHBondContact OG1-CB 3.31Å; T163-Q166 VanDerWaalsContact OG1-CG 3.27Å; T163-Q166 WeakPolarHBondContact OG1-CG 3.35Å; T163-Q166 PolarHBondContact OG1-N 3.49Å; T163-Q166 PolarHBondContact OG1-OE1 2.94Å; Q166-G170 PolarHBondContact O-N 2.97Å
167F92.6Very high90.3Very high4 Ų477.5 Ų77.52%0.01840%0.398CS..Hα-helixtrans-62.2-53.1177.7179.2-109.2000111.6L146 P158 I162 T163 M164 F165 G170 I171 F492L146-F167 HydrophobicContact CB-CE1 4.43Å; L146-F167 HydrophobicContact CB-CZ 4.42Å; L146-F167 HydrophobicContact CD1-CE1 4.24Å; L146-F167 HydrophobicContact CD2-CE1 4.21Å; P158-F167 HydrophobicContact CB-CD2 4.24Å; P158-F167 HydrophobicContact CB-CE2 4.43Å; P158-F167 HydrophobicContact CG-CD2 3.91Å; P158-F167 HydrophobicContact CG-CE2 3.61Å; I162-F167 HydrophobicContact CD1-CB 3.92Å; I162-F167 HydrophobicContact CD1-CD2 4.26Å; I162-F167 HydrophobicContact CG1-CB 4.24Å; T163-F167 WeakPolarHBondContact O-CB 3.39Å; T163-F167 PolarHBondContact O-N 3.43Å; M164-F167 PolarHBondContact O-N 3.27Å; F165-F167 VanDerWaalsContact C-N 3.27Å; F165-F167 PolarHBondContact O-N 3.02Å; F167-G170 PolarHBondContact O-N 3.37Å; F167-G170 VanDerWaalsContact O-N 3.16Å; F167-I171 HydrophobicContact CD1-CD1 4.1Å; F167-I171 HydrophobicContact CE1-CD1 3.56Å; F167-I171 HydrophobicContact CE2-CD1 4.34Å; F167-I171 HydrophobicContact CZ-CD1 3.7Å; F167-I171 PolarHBondContact O-N 3.27Å; F167-F492 HydrophobicContact CB-CE2 4.28Å; F167-F492 HydrophobicContact CD1-CE2 4.06Å; F167-F492 HydrophobicContact CD1-CZ 4.22Å; F167-F492 HydrophobicContact CD2-CE2 4.06Å; F167-F492 AromaticContact CD2-CZ 3.95Å; F167-F492 HydrophobicContact CD2-CZ 3.95Å; F167-F492 HydrophobicContact CE1-CE2 4.41Å; F167-F492 HydrophobicContact CE1-CZ 4.13Å; F167-F492 HydrophobicContact CE2-CE2 4.42Å; F167-F492 AromaticContact CE2-CZ 3.87Å; F167-F492 HydrophobicContact CE2-CZ 3.87Å; F167-F492 AromaticContact CG-CE2 3.86Å; F167-F492 HydrophobicContact CG-CE2 3.86Å; F167-F492 HydrophobicContact CG-CZ 4.12Å; F167-F492 AromaticContact CZ-CZ 3.95Å; F167-F492 HydrophobicContact CZ-CZ 3.95Å
168F93.9Very high90.7Very high93 Ų9375 Ų7541%0.40839%0.392SS..Hα-helixtrans-68.8-35.3179.1-78-63.9000113.3L146 M164 F165 G170 I171 E172L146-F168 HydrophobicContact CD2-CE1 3.92Å; L146-F168 HydrophobicContact CD2-CZ 4.13Å; M164-F168 HydrophobicContact CE-CD2 4.39Å; M164-F168 HydrophobicContact CE-CE2 3.66Å; M164-F168 WeakPolarHBondContact O-CD2 3.43Å; M164-F168 PolarHBondContact O-N 3.19Å; F165-F168 PolarHBondContact O-N 3.46Å; F168-G170 VanDerWaalsContact C-N 3.26Å; F168-G170 PolarHBondContact O-N 3.41Å; F168-I171 HydrophobicContact CD1-CD1 4.13Å; F168-I171 HydrophobicContact CE1-CD1 4.43Å; F168-I171 PolarHBondContact O-N 3.34Å; F168-E172 WeakPolarHBondContact O-CB 3.43Å; F168-E172 PolarHBondContact O-N 2.68Å
169S94.2Very high91.1Very high42 Ų4277.8 Ų77.829%0.29441%0.405SS..Hα-helixtrans-61.8-36.2171-62.90000111.9F165 E172 K173F165-S169 WeakPolarHBondContact O-CB 3.34Å; F165-S169 PolarHBondContact O-N 3.48Å; F165-S169 PolarHBondContact O-OG 3.25Å; S169-E172 PolarHBondContact O-N 3.12Å; S169-K173 WeakPolarHBondContact O-CB 3.41Å; S169-K173 PolarHBondContact O-N 3.44Å
170G93.8Very high91.4Very high27 Ų2778.1 Ų78.128%0.27841%0.414SS..Hα-helixtrans-63.2-46.2173.400000112.5Q166 F167 F168 K173 K174Q166-G170 PolarHBondContact O-N 2.97Å; F167-G170 PolarHBondContact O-N 3.37Å; F167-G170 VanDerWaalsContact O-N 3.16Å; F168-G170 VanDerWaalsContact C-N 3.26Å; F168-G170 PolarHBondContact O-N 3.41Å; G170-K173 PolarHBondContact O-N 2.94Å; G170-K174 PolarHBondContact O-N 3.24Å
171I94.4Very high92.1Very high21 Ų2182.9 Ų82.911%0.10842%0.422CS..Hα-helixtrans-59.6-48.6174.3-68.9173.6000110.4I149 L153 M155 F167 F168 K173 K174 L175I149-I171 HydrophobicContact CG2-CD1 4.31Å; I149-I171 HydrophobicContact CG2-CG2 4.05Å; L153-I171 HydrophobicContact CD1-CG2 3.91Å; M155-I171 HydrophobicContact CE-CG1 4.13Å; M155-I171 HydrophobicContact SD-CG1 3.99Å; F167-I171 HydrophobicContact CD1-CD1 4.1Å; F167-I171 HydrophobicContact CE1-CD1 3.56Å; F167-I171 HydrophobicContact CE2-CD1 4.34Å; F167-I171 HydrophobicContact CZ-CD1 3.7Å; F167-I171 PolarHBondContact O-N 3.27Å; F168-I171 HydrophobicContact CD1-CD1 4.13Å; F168-I171 HydrophobicContact CE1-CD1 4.43Å; F168-I171 PolarHBondContact O-N 3.34Å; I171-K173 VanDerWaalsContact C-N 3.33Å; I171-K173 PolarHBondContact O-N 3.02Å; I171-K174 PolarHBondContact O-N 2.75Å; I171-L175 WeakPolarHBondContact O-CB 3.29Å; I171-L175 PolarHBondContact O-N 3Å
172E93.9Very high92.4Very high96 Ų9678.8 Ų78.845%0.44940%0.401SS..Hα-helixtrans-58.6-45.5-179.9-170.7-166.6155.800111.6F168 S169 L175 K176F168-E172 WeakPolarHBondContact O-CB 3.43Å; F168-E172 PolarHBondContact O-N 2.68Å; S169-E172 PolarHBondContact O-N 3.12Å; E172-L175 PolarHBondContact O-N 3.24Å; E172-K176 HydrophobicContact CG-CD 4.48Å; E172-K176 WeakPolarHBondContact O-CG 3.35Å; E172-K176 PolarHBondContact O-N 2.92Å; E172-K176 WeakPolarHBondContact OE1-CE 3.34Å; E172-K176 IonicContact OE1-NZ 2.93Å; E172-K176 PolarHBondContact OE1-NZ 3.42Å
173K95.1Very high92.5Very high136 Ų13681.5 Ų81.559%0.59142%0.422SS*.Hα-helixtrans-59.2-48.5175.9-178.3-178.9175.5-177.40111S169 G170 I171 L175 K176 E177S169-K173 WeakPolarHBondContact O-CB 3.41Å; S169-K173 PolarHBondContact O-N 3.44Å; G170-K173 PolarHBondContact O-N 2.94Å; I171-K173 VanDerWaalsContact C-N 3.33Å; I171-K173 PolarHBondContact O-N 3.02Å; K173-L175 VanDerWaalsContact C-N 3.3Å; K173-L175 PolarHBondContact O-N 2.87Å; K173-K176 PolarHBondContact O-N 3.42Å; K173-E177 VanDerWaalsContact CE-OE1 3.28Å; K173-E177 WeakPolarHBondContact CE-OE1 3.48Å; K173-E177 WeakPolarHBondContact O-CG 3.22Å; K173-E177 PolarHBondContact O-N 3.14Å
174K94.8Very high92.1Very high61 Ų6184.7 Ų84.727%0.26544%0.443SS..Hα-helixtrans-66.9-34.1-177.9-163.758.5173-179.30112.6L153 M155 G170 I171 E177 T178L153-K174 HydrophobicContact CB-CB 4.46Å; L153-K174 HydrophobicContact CB-CG 3.83Å; L153-K174 HydrophobicContact CD1-CB 4.4Å; L153-K174 VanDerWaalsContact O-CE 3.28Å; L153-K174 WeakPolarHBondContact O-CE 3.48Å; L153-K174 WeakPolarHBondContact O-CG 3.35Å; M155-K174 HydrophobicContact CG-CB 4.29Å; M155-K174 HydrophobicContact CG-CG 3.94Å; M155-K174 HydrophobicContact SD-CB 4.13Å; M155-K174 HydrophobicContact SD-CG 4.38Å; G170-K174 PolarHBondContact O-N 3.24Å; I171-K174 PolarHBondContact O-N 2.75Å; K174-E177 VanDerWaalsContact CD-OE2 3.26Å; K174-E177 WeakPolarHBondContact CD-OE2 3.24Å; K174-E177 IonicContact NZ-OE2 3.46Å; K174-E177 PolarHBondContact NZ-OE2 2.83Å; K174-E177 PolarHBondContact O-N 3.36Å; K174-T178 WeakPolarHBondContact O-CB 3.5Å; K174-T178 PolarHBondContact O-N 2.91Å; K174-T178 PolarHBondContact O-OG1 3.32Å
175L92.9Very high92Very high85 Ų8587.6 Ų87.645%0.44546%0.46SS..Hα-helixtrans-64.3-46.1173.7-171.369.4000111L153 I171 E172 K173 E177 T178 L179L153-L175 HydrophobicContact CD2-CD1 4.22Å; I171-L175 WeakPolarHBondContact O-CB 3.29Å; I171-L175 PolarHBondContact O-N 3Å; E172-L175 PolarHBondContact O-N 3.24Å; K173-L175 VanDerWaalsContact C-N 3.3Å; K173-L175 PolarHBondContact O-N 2.87Å; L175-E177 PolarHBondContact O-N 3.25Å; L175-T178 PolarHBondContact O-N 3.44Å; L175-L179 HydrophobicContact CG-CD1 4.14Å; L175-L179 WeakPolarHBondContact O-CB 3.4Å; L175-L179 VanDerWaalsContact O-CG 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.44Å
176K92Very high91.9Very high130 Ų13086 Ų8657%0.56546%0.455SS*.Hα-helixtrans-60.1-44.5175.3-76.1171.8171.3168.50112.2E172 K173 T178 L179 A180E172-K176 HydrophobicContact CG-CD 4.48Å; E172-K176 WeakPolarHBondContact O-CG 3.35Å; E172-K176 PolarHBondContact O-N 2.92Å; E172-K176 WeakPolarHBondContact OE1-CE 3.34Å; E172-K176 IonicContact OE1-NZ 2.93Å; E172-K176 PolarHBondContact OE1-NZ 3.42Å; K173-K176 PolarHBondContact O-N 3.42Å; K176-T178 VanDerWaalsContact C-N 3.28Å; K176-T178 PolarHBondContact O-N 2.91Å; K176-L179 PolarHBondContact O-N 2.87Å; K176-A180 PolarHBondContact O-N 2.82Å
177E94.4Very high91.6Very high77 Ų7784 Ų8436%0.3645%0.45SS..Hα-helixtrans-59.2-39.6174.3-73.1174-166.200112.3K173 K174 L175K173-E177 VanDerWaalsContact CE-OE1 3.28Å; K173-E177 WeakPolarHBondContact CE-OE1 3.48Å; K173-E177 WeakPolarHBondContact O-CG 3.22Å; K173-E177 PolarHBondContact O-N 3.14Å; K174-E177 VanDerWaalsContact CD-OE2 3.26Å; K174-E177 WeakPolarHBondContact CD-OE2 3.24Å; K174-E177 IonicContact NZ-OE2 3.46Å; K174-E177 PolarHBondContact NZ-OE2 2.83Å; K174-E177 PolarHBondContact O-N 3.36Å; L175-E177 PolarHBondContact O-N 3.25Å
178T92.4Very high91.3Very high56 Ų5685.6 Ų85.634%0.34447%0.468SS..Hα-helixtrans-72.9-42.2-179.4-550000111K174 L175 K176 A180 K181K174-T178 WeakPolarHBondContact O-CB 3.5Å; K174-T178 PolarHBondContact O-N 2.91Å; K174-T178 PolarHBondContact O-OG1 3.32Å; L175-T178 PolarHBondContact O-N 3.44Å; K176-T178 VanDerWaalsContact C-N 3.28Å; K176-T178 PolarHBondContact O-N 2.91Å; T178-A180 VanDerWaalsContact C-N 3.26Å; T178-A180 PolarHBondContact O-N 3.22Å; T178-K181 WeakPolarHBondContact O-CB 3.34Å; T178-K181 PolarHBondContact O-N 2.82Å; T178-K181 VanDerWaalsContact O-N 3.11Å
179L90.5Very high91.1Very high80 Ų8087.2 Ų87.242%0.41947%0.474SS..Hα-helixtrans-64.1-30175.8-71.6173.1000112.6L175 K176 K181 V182 V187L175-L179 HydrophobicContact CG-CD1 4.14Å; L175-L179 WeakPolarHBondContact O-CB 3.4Å; L175-L179 VanDerWaalsContact O-CG 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.44Å; K176-L179 PolarHBondContact O-N 2.87Å; L179-K181 PolarHBondContact O-N 2.79Å; L179-V182 HydrophobicContact CD2-CG2 4.42Å; L179-V182 WeakPolarHBondContact O-CG2 3.32Å; L179-V182 PolarHBondContact O-N 3.38Å; L179-V187 HydrophobicContact CD2-CG2 3.67Å
180A92Very high90.9Very high84 Ų8488 Ų8869%0.69448%0.478SS*.THydrogen-bonded Turntrans-67.2-18175.500000113.6K176 T178K176-A180 PolarHBondContact O-N 2.82Å; T178-A180 VanDerWaalsContact C-N 3.26Å; T178-A180 PolarHBondContact O-N 3.22Å
181K93.6Very high90.8Very high169 Ų16990 Ų9074%0.73548%0.482SS*.THydrogen-bonded Turntrans-85.8-10.5178.1-61.3175.3-176.4179.60113.4T178 L179T178-K181 WeakPolarHBondContact O-CB 3.34Å; T178-K181 PolarHBondContact O-N 2.82Å; T178-K181 VanDerWaalsContact O-N 3.11Å; L179-K181 PolarHBondContact O-N 2.79Å
182V92.4Very high90.5Very high49 Ų4991.3 Ų91.330%0.29749%0.489SS..SBendtrans-110.4158.7-179.9-620000110.8L179 H186L179-V182 HydrophobicContact CD2-CG2 4.42Å; L179-V182 WeakPolarHBondContact O-CG2 3.32Å; L179-V182 PolarHBondContact O-N 3.38Å; V182-H186 HydrophobicContact CB-CB 3.91Å; V182-H186 HydrophobicContact CG2-CB 3.8Å
183P91.6Very high90.2Very high91 Ų9195.1 Ų95.159%0.59150%0.499SS*.  trans-56.8149.5177.6-26.735.3000113N185 H186P183-N185 PolarHBondContact O-N 3.46Å; P183-H186 WeakPolarHBondContact O-CB 3.07Å; P183-H186 PolarHBondContact O-N 2.96Å
184P81.9Confident89.8Confident137 Ų13796.6 Ų96.689%0.8951%0.506SS*.THydrogen-bonded Turntrans-56.2-26.7-174.1-27.734.2000115.6
185N83.9Confident89.3Confident127 Ų12799.6 Ų99.668%0.67953%0.532SS*.THydrogen-bonded Turntrans-101.810.1-179.8-71.5-31.4000113.6P183 V187 G188P183-N185 PolarHBondContact O-N 3.46Å; N185-V187 PolarHBondContact O-N 3.47Å; N185-G188 PolarHBondContact O-N 2.97Å
186H87.9Confident89Confident130 Ų13098.2 Ų98.260%0.60252%0.524SS*.SBendtrans-58.9-42.6-173.7-174.573.4000113.4V182 P183V182-H186 HydrophobicContact CB-CB 3.91Å; V182-H186 HydrophobicContact CG2-CB 3.8Å; P183-H186 WeakPolarHBondContact O-CB 3.07Å; P183-H186 PolarHBondContact O-N 2.96Å
187V85.4Confident89Confident70 Ų7093.4 Ų93.442%0.42451%0.511SS..SBendtrans-95.8-8.9-179.8-1680000112L179 N185 R272L179-V187 HydrophobicContact CD2-CG2 3.67Å; N185-V187 PolarHBondContact O-N 3.47Å; V187-R272 VanDerWaalsContact O-CD 3.3Å; V187-R272 WeakPolarHBondContact O-CD 3.48Å; V187-R272 WeakPolarHBondContact O-CG 3.24Å; V187-R272 PolarHBondContact O-NE 3.03Å
188G87Confident88.9Confident37 Ų3795.3 Ų95.338%0.38153%0.53SS..  trans70.2169.9-172.500000113.9N185N185-G188 PolarHBondContact O-N 2.97Å
189K89.3Confident88.9Confident127 Ų12795.4 Ų95.455%0.55254%0.536SS*.  trans-82.5141.7-179.8-66.7178-177.4177.20110.6R272 Q273K189-R272 WeakPolarHBondContact O-CA 3.27Å; K189-R272 WeakPolarHBondContact O-CD 3.25Å; K189-Q273 HydrophobicContact CB-CG 4.44Å; K189-Q273 PolarHBondContact O-N 3.42Å
190P90.5Very high89Confident57 Ų5796.1 Ų96.137%0.3754%0.537SS..BIsolated β-bridgetrans-59.8146.9176.726.3-34.4000111.3Q273P190-Q273 PolarHBondContact O-NE2 3.26Å
191L90Very high89.1Confident70 Ų7096.3 Ų96.337%0.36652%0.52SS..SBendtrans-72.1-47.8173.3-175.262.3000110.1R193 A271L191-R193 PolarHBondContact O-N 2.76Å; L191-A271 HydrophobicContact CB-CB 4Å; L191-A271 HydrophobicContact CD2-CB 4.06Å; L191-A271 PolarHBondContact N-O 2.96Å
192L88.8Confident89.1Confident48 Ų4895.2 Ų95.225%0.25152%0.518SS..  trans-83.8109.5173.4-166.566.3000110.2M196 W201 L268 L269L192-M196 HydrophobicContact CD1-CE 3.46Å; L192-M196 VanDerWaalsContact CD1-CE 3.46Å; L192-M196 HydrophobicContact CD2-CE 3.93Å; L192-M196 HydrophobicContact CD2-CG 4.23Å; L192-M196 HydrophobicContact CG-CE 4.09Å; L192-W201 HydrophobicContact CD2-CH2 4.28Å; L192-L268 HydrophobicContact CD2-CD2 4.38Å; L192-L268 HydrophobicContact CD2-CG 4.45Å; L192-L269 HydrophobicContact CD2-CD2 4.3Å
193R87.8Confident89.2Confident176 Ų17699.8 Ų99.866%0.66453%0.533SS*.  trans-103.1-21.8-176.2-58.1-176.7-171.4173.13.8114.4L191L191-R193 PolarHBondContact O-N 2.76Å
194K86.3Confident89.3Confident167 Ų16796.8 Ų96.873%0.72651%0.512SS*.SBendtrans-83.8135.7-175.3-70.6-169.9177-176.40110.2
195P85.5Confident89.8Confident125 Ų12594 Ų9481%0.81249%0.487SS*.  trans-62.9139.5169.728.5-33.4000109.2
196M86.6Confident90.4Very high56 Ų5690.5 Ų90.528%0.27648%0.476SS..  trans-112.2129.3-177.6-66.8-61.6-167.600109.3L192 H200 W201 I204L192-M196 HydrophobicContact CD1-CE 3.46Å; L192-M196 VanDerWaalsContact CD1-CE 3.46Å; L192-M196 HydrophobicContact CD2-CE 3.93Å; L192-M196 HydrophobicContact CD2-CG 4.23Å; L192-M196 HydrophobicContact CG-CE 4.09Å; M196-H200 HydrophobicContact CB-CB 4.07Å; M196-H200 HydrophobicContact CG-CB 4.42Å; M196-H200 HydrophobicContact SD-CB 3.67Å; M196-W201 HydrophobicContact CB-CD2 3.97Å; M196-W201 HydrophobicContact CB-CG 4.43Å; M196-W201 HydrophobicContact CB-CH2 4.06Å; M196-W201 HydrophobicContact CB-CZ2 3.42Å; M196-W201 VanDerWaalsContact CB-CZ2 3.42Å; M196-W201 HydrophobicContact CG-CH2 4.03Å; M196-W201 HydrophobicContact CG-CZ2 3.89Å; M196-W201 PolarHBondContact O-NE1 3.3Å; M196-W201 VanDerWaalsContact O-NE1 3.11Å; M196-I204 HydrophobicContact CE-CD1 3.75Å; M196-I204 HydrophobicContact CG-CD1 4.21Å; M196-I204 HydrophobicContact SD-CD1 4.12Å
197G91.3Very high90.7Very high29 Ų2989.1 Ų89.130%0.29947%0.472SS..  trans-86.5173.6171.400000111.8A199 H200 W201G197-A199 VanDerWaalsContact C-N 3.34Å; G197-A199 PolarHBondContact O-N 2.89Å; G197-H200 PolarHBondContact N-ND1 3.35Å; G197-H200 WeakPolarHBondContact O-CB 3.09Å; G197-H200 PolarHBondContact O-N 3.34Å; G197-W201 VanDerWaalsContact O-CD1 3.22Å; G197-W201 PolarHBondContact O-N 3.04Å; G197-W201 VanDerWaalsContact O-N 3.13Å
198P91.8Very high91.1Very high117 Ų11787.3 Ų87.376%0.7646%0.46SS*.Hα-helixtrans-53.1-46.1-177.2-27.835.5000113.9H200 W201 E202P198-H200 VanDerWaalsContact C-N 3.26Å; P198-H200 PolarHBondContact O-N 3.48Å; P198-W201 PolarHBondContact O-N 2.93Å; P198-W201 VanDerWaalsContact O-N 3.13Å; P198-E202 PolarHBondContact O-N 2.93Å
199A93.4Very high91.5Very high57 Ų5790.9 Ų90.947%0.47147%0.467SS..Hα-helixtrans-65-27.1178.300000113.5G197 K203G197-A199 VanDerWaalsContact C-N 3.34Å; G197-A199 PolarHBondContact O-N 2.89Å; A199-K203 WeakPolarHBondContact O-CG 3.28Å; A199-K203 PolarHBondContact O-N 3.33Å
200H92.8Very high91.8Very high96 Ų9687.8 Ų87.844%0.44447%0.465SS..Hα-helixtrans-73.7-40.4174-58.6154.5000110.8M196 G197 P198 K203 I204M196-H200 HydrophobicContact CB-CB 4.07Å; M196-H200 HydrophobicContact CG-CB 4.42Å; M196-H200 HydrophobicContact SD-CB 3.67Å; G197-H200 PolarHBondContact N-ND1 3.35Å; G197-H200 WeakPolarHBondContact O-CB 3.09Å; G197-H200 PolarHBondContact O-N 3.34Å; P198-H200 VanDerWaalsContact C-N 3.26Å; P198-H200 PolarHBondContact O-N 3.48Å; H200-K203 PolarHBondContact O-N 2.84Å; H200-I204 VanDerWaalsContact O-CG1 3.27Å; H200-I204 WeakPolarHBondContact O-CG1 3.29Å; H200-I204 PolarHBondContact O-N 2.93Å
201W92.5Very high92Very high88 Ų8888.8 Ų88.833%0.33347%0.466SS..Hα-helixtrans-63.5-41.8177.5-70.3119.6000112.5L192 M196 G197 P198 K203 I204 E205 V265 L269L192-W201 HydrophobicContact CD2-CH2 4.28Å; M196-W201 HydrophobicContact CB-CD2 3.97Å; M196-W201 HydrophobicContact CB-CG 4.43Å; M196-W201 HydrophobicContact CB-CH2 4.06Å; M196-W201 HydrophobicContact CB-CZ2 3.42Å; M196-W201 VanDerWaalsContact CB-CZ2 3.42Å; M196-W201 HydrophobicContact CG-CH2 4.03Å; M196-W201 HydrophobicContact CG-CZ2 3.89Å; M196-W201 PolarHBondContact O-NE1 3.3Å; M196-W201 VanDerWaalsContact O-NE1 3.11Å; G197-W201 VanDerWaalsContact O-CD1 3.22Å; G197-W201 PolarHBondContact O-N 3.04Å; G197-W201 VanDerWaalsContact O-N 3.13Å; P198-W201 PolarHBondContact O-N 2.93Å; P198-W201 VanDerWaalsContact O-N 3.13Å; W201-K203 VanDerWaalsContact C-N 3.33Å; W201-K203 PolarHBondContact O-N 3.36Å; W201-I204 HydrophobicContact CE3-CD1 3.99Å; W201-I204 HydrophobicContact CZ3-CD1 4.01Å; W201-I204 PolarHBondContact O-N 3.25Å; W201-E205 PolarHBondContact O-N 3.29Å; W201-V265 HydrophobicContact CE3-CG1 4.08Å; W201-V265 HydrophobicContact CZ3-CG1 3.73Å; W201-L269 HydrophobicContact CH2-CD1 4.32Å; W201-L269 HydrophobicContact CH2-CD2 3.6Å; W201-L269 HydrophobicContact CH2-CG 4.24Å; W201-L269 HydrophobicContact CZ2-CD2 4.44Å; W201-L269 HydrophobicContact CZ3-CD2 4.37Å
202E93.6Very high92.2Very high146 Ų14686.6 Ų86.668%0.68246%0.458SS*.Hα-helixtrans-57.2-47174.5-173.1-177.6177.900111.6P198 I204 E205 A206P198-E202 PolarHBondContact O-N 2.93Å; E202-I204 PolarHBondContact O-N 2.88Å; E202-E205 PolarHBondContact O-N 3.28Å; E202-A206 PolarHBondContact O-N 3.32Å
203K94.7Very high92.4Very high144 Ų14489.1 Ų89.163%0.62647%0.472SS*.Hα-helixtrans-64.2-41.1176.8-71.5178.8-178.6-177.50112.7A199 H200 W201 E205 A206 I207A199-K203 WeakPolarHBondContact O-CG 3.28Å; A199-K203 PolarHBondContact O-N 3.33Å; H200-K203 PolarHBondContact O-N 2.84Å; W201-K203 VanDerWaalsContact C-N 3.33Å; W201-K203 PolarHBondContact O-N 3.36Å; K203-E205 VanDerWaalsContact C-N 3.33Å; K203-A206 PolarHBondContact O-N 3.33Å; K203-I207 VanDerWaalsContact O-CG1 3.28Å; K203-I207 WeakPolarHBondContact O-CG1 3.35Å; K203-I207 PolarHBondContact O-N 2.67Å
204I93.4Very high92.8Very high29 Ų2985.8 Ų85.815%0.14946%0.464CS..Hα-helixtrans-64.1-41.8178.6-71.9166000110.5M196 H200 W201 E202 I207 N208 V265 L268M196-I204 HydrophobicContact CE-CD1 3.75Å; M196-I204 HydrophobicContact CG-CD1 4.21Å; M196-I204 HydrophobicContact SD-CD1 4.12Å; H200-I204 VanDerWaalsContact O-CG1 3.27Å; H200-I204 WeakPolarHBondContact O-CG1 3.29Å; H200-I204 PolarHBondContact O-N 2.93Å; W201-I204 HydrophobicContact CE3-CD1 3.99Å; W201-I204 HydrophobicContact CZ3-CD1 4.01Å; W201-I204 PolarHBondContact O-N 3.25Å; E202-I204 PolarHBondContact O-N 2.88Å; I204-I207 PolarHBondContact O-N 3.47Å; I204-N208 WeakPolarHBondContact O-CB 3.35Å; I204-N208 PolarHBondContact O-N 3.13Å; I204-V265 HydrophobicContact CG2-CB 4.48Å; I204-V265 HydrophobicContact CG2-CG1 3.87Å; I204-V265 HydrophobicContact CG2-CG2 3.78Å; I204-L268 HydrophobicContact CG2-CD2 3.95Å
205E93.8Very high93.2Very high77 Ų7783.7 Ų83.736%0.3645%0.453SS..Hα-helixtrans-65.9-41.9177.7-163.260.5-125.300111.1W201 E202 K203 I207 N208 Q209 V265W201-E205 PolarHBondContact O-N 3.29Å; E202-E205 PolarHBondContact O-N 3.28Å; K203-E205 VanDerWaalsContact C-N 3.33Å; E205-I207 VanDerWaalsContact C-N 3.33Å; E205-I207 PolarHBondContact O-N 2.88Å; E205-N208 WeakPolarHBondContact O-CB 3.5Å; E205-N208 PolarHBondContact O-N 3.11Å; E205-N208 PolarHBondContact OE1-ND2 3.14Å; E205-N208 VanDerWaalsContact OE1-ND2 3.16Å; E205-Q209 WeakPolarHBondContact O-CG 3.41Å; E205-Q209 PolarHBondContact O-N 2.97Å; E205-V265 WeakPolarHBondContact OE2-CG2 3.33Å
206A95.4Very high93.7Very high55 Ų5580 Ų8046%0.45543%0.425SS..Hα-helixtrans-59.4-42.8174.300000112.2E202 K203 Q209 A210E202-A206 PolarHBondContact O-N 3.32Å; K203-A206 PolarHBondContact O-N 3.33Å; A206-Q209 PolarHBondContact O-N 3.46Å; A206-A210 WeakPolarHBondContact O-CB 3.38Å; A206-A210 PolarHBondContact O-N 2.95Å
207I95Very high94.2Very high100 Ų10082 Ų8251%0.51344%0.44SS..Hα-helixtrans-63.4-46.4174.4-68.5165000110.6K203 I204 E205 Q209 A210 I211K203-I207 VanDerWaalsContact O-CG1 3.28Å; K203-I207 WeakPolarHBondContact O-CG1 3.35Å; K203-I207 PolarHBondContact O-N 2.67Å; I204-I207 PolarHBondContact O-N 3.47Å; E205-I207 VanDerWaalsContact C-N 3.33Å; E205-I207 PolarHBondContact O-N 2.88Å; I207-Q209 VanDerWaalsContact C-N 3.31Å; I207-Q209 PolarHBondContact O-N 3.29Å; I207-A210 PolarHBondContact O-N 3.26Å; I207-I211 HydrophobicContact CG2-CD1 3.63Å; I207-I211 HydrophobicContact CG2-CG1 4.29Å; I207-I211 WeakPolarHBondContact O-CB 3.45Å; I207-I211 VanDerWaalsContact O-CG1 3.29Å; I207-I211 WeakPolarHBondContact O-CG1 3.38Å; I207-I211 PolarHBondContact O-N 3.26Å
208N94.1Very high94.4Very high32 Ų3286.8 Ų86.817%0.17145%0.449CS..Hα-helixtrans-58.3-43.7178.7179.960.4000111.4I204 E205 I211 A212 V265I204-N208 WeakPolarHBondContact O-CB 3.35Å; I204-N208 PolarHBondContact O-N 3.13Å; E205-N208 WeakPolarHBondContact O-CB 3.5Å; E205-N208 PolarHBondContact O-N 3.11Å; E205-N208 PolarHBondContact OE1-ND2 3.14Å; E205-N208 VanDerWaalsContact OE1-ND2 3.16Å; N208-I211 PolarHBondContact O-N 3.15Å; N208-A212 WeakPolarHBondContact O-CB 3.35Å; N208-A212 PolarHBondContact O-N 3.29Å; N208-V265 HydrophobicContact CB-CG2 3.88Å
209Q94.3Very high94.6Very high112 Ų11285.3 Ų85.352%0.52343%0.428SS..Hα-helixtrans-63.9-46.6176.1-72.4178.84.900112.3E205 A206 I207 I211 A212 N213E205-Q209 WeakPolarHBondContact O-CG 3.41Å; E205-Q209 PolarHBondContact O-N 2.97Å; A206-Q209 PolarHBondContact O-N 3.46Å; I207-Q209 VanDerWaalsContact C-N 3.31Å; I207-Q209 PolarHBondContact O-N 3.29Å; Q209-I211 VanDerWaalsContact C-N 3.33Å; Q209-I211 PolarHBondContact O-N 3.19Å; Q209-A212 PolarHBondContact O-N 3.12Å; Q209-N213 WeakPolarHBondContact O-CB 3.2Å; Q209-N213 PolarHBondContact O-N 3.06Å; Q209-N213 PolarHBondContact O-ND2 3.28Å
210A95.9Very high94.8Very high62 Ų6287.6 Ų87.651%0.51243%0.427SS..Hα-helixtrans-59.2-45.9177.900000111.6A206 I207 N213 E214A206-A210 WeakPolarHBondContact O-CB 3.38Å; A206-A210 PolarHBondContact O-N 2.95Å; I207-A210 PolarHBondContact O-N 3.26Å; A210-N213 PolarHBondContact O-N 3.27Å; A210-E214 PolarHBondContact O-N 3.44Å; A210-E214 VanDerWaalsContact O-N 3.14Å
211I94.6Very high95Very high78 Ų7888.1 Ų88.140%0.443%0.433SS..Hα-helixtrans-63.6-48.5176.4-69.2176.3000110.4I207 N208 Q209 N213 E214 Y215I207-I211 HydrophobicContact CG2-CD1 3.63Å; I207-I211 HydrophobicContact CG2-CG1 4.29Å; I207-I211 WeakPolarHBondContact O-CB 3.45Å; I207-I211 VanDerWaalsContact O-CG1 3.29Å; I207-I211 WeakPolarHBondContact O-CG1 3.38Å; I207-I211 PolarHBondContact O-N 3.26Å; N208-I211 PolarHBondContact O-N 3.15Å; Q209-I211 VanDerWaalsContact C-N 3.33Å; Q209-I211 PolarHBondContact O-N 3.19Å; I211-N213 VanDerWaalsContact C-N 3.26Å; I211-N213 PolarHBondContact O-N 3.29Å; I211-E214 PolarHBondContact O-N 3.07Å; I211-E214 VanDerWaalsContact O-N 3.13Å; I211-Y215 HydrophobicContact CG2-CD2 3.41Å; I211-Y215 VanDerWaalsContact CG2-CD2 3.41Å; I211-Y215 HydrophobicContact CG2-CE2 3.5Å; I211-Y215 VanDerWaalsContact O-CD2 3.29Å; I211-Y215 WeakPolarHBondContact O-CD2 3.41Å; I211-Y215 PolarHBondContact O-N 3.47Å
212A94.1Very high95.2Very high24 Ų2488.4 Ų88.420%0.19844%0.44CS..Hα-helixtrans-56.5-41.818000000111.9N208 Q209 Y215 E216N208-A212 WeakPolarHBondContact O-CB 3.35Å; N208-A212 PolarHBondContact O-N 3.29Å; Q209-A212 PolarHBondContact O-N 3.12Å; A212-Y215 PolarHBondContact O-N 3.35Å; A212-E216 WeakPolarHBondContact O-CB 3.47Å; A212-E216 PolarHBondContact O-N 3.35Å
213N94.3Very high95.3Very high101 Ų10182.2 Ų82.254%0.5441%0.412SS..Hα-helixtrans-63.3-46.1176.2-68.5-21.2000111.9Q209 A210 I211 E216 V217Q209-N213 WeakPolarHBondContact O-CB 3.2Å; Q209-N213 PolarHBondContact O-N 3.06Å; Q209-N213 PolarHBondContact O-ND2 3.28Å; A210-N213 PolarHBondContact O-N 3.27Å; I211-N213 VanDerWaalsContact C-N 3.26Å; I211-N213 PolarHBondContact O-N 3.29Å; N213-E216 PolarHBondContact O-N 3.41Å; N213-V217 WeakPolarHBondContact O-CG2 3.39Å; N213-V217 PolarHBondContact O-N 3.16Å; N213-V217 VanDerWaalsContact O-N 3.13Å
214E95.4Very high95.4Very high107 Ų10780.9 Ų80.950%0.541%0.406SS..Hα-helixtrans-62.7-45.4177.5-165.8-162.2146.400111.6A210 I211 E216 V217 R218A210-E214 PolarHBondContact O-N 3.44Å; A210-E214 VanDerWaalsContact O-N 3.14Å; I211-E214 PolarHBondContact O-N 3.07Å; I211-E214 VanDerWaalsContact O-N 3.13Å; E214-E216 VanDerWaalsContact C-N 3.32Å; E214-E216 PolarHBondContact O-N 2.93Å; E214-V217 PolarHBondContact O-N 3.27Å; E214-R218 PolarHBondContact O-N 2.95Å; E214-R218 IonicContact OE1-CZ 3.11Å; E214-R218 IonicContact OE1-NH1 2.96Å; E214-R218 PolarHBondContact OE1-NH1 2.86Å
215Y95.4Very high95.6Very high123 Ų12387.6 Ų87.648%0.48243%0.43SS..Hα-helixtrans-65.5-35.6178.1-87.2-87.2000112.1I211 A212 R218 R219I211-Y215 HydrophobicContact CG2-CD2 3.41Å; I211-Y215 VanDerWaalsContact CG2-CD2 3.41Å; I211-Y215 HydrophobicContact CG2-CE2 3.5Å; I211-Y215 VanDerWaalsContact O-CD2 3.29Å; I211-Y215 WeakPolarHBondContact O-CD2 3.41Å; I211-Y215 PolarHBondContact O-N 3.47Å; A212-Y215 PolarHBondContact O-N 3.35Å; Y215-R218 PolarHBondContact O-N 2.94Å; Y215-R219 WeakPolarHBondContact O-CB 3.37Å; Y215-R219 VanDerWaalsContact O-CG 3.27Å; Y215-R219 WeakPolarHBondContact O-CG 3.21Å; Y215-R219 PolarHBondContact O-N 3.42Å
216E95.7Very high95.7Very high47 Ų4787.3 Ų87.322%0.2243%0.43CS..Hα-helixtrans-61.5-46.6174.4-176.9176.6160.600111.1A212 N213 E214 R218 R219 K220 P259A212-E216 WeakPolarHBondContact O-CB 3.47Å; A212-E216 PolarHBondContact O-N 3.35Å; N213-E216 PolarHBondContact O-N 3.41Å; E214-E216 VanDerWaalsContact C-N 3.32Å; E214-E216 PolarHBondContact O-N 2.93Å; E216-R218 PolarHBondContact O-N 3.1Å; E216-R219 PolarHBondContact O-N 2.98Å; E216-K220 HydrophobicContact CG-CD 4.41Å; E216-K220 WeakPolarHBondContact O-CG 3.45Å; E216-K220 PolarHBondContact O-N 2.96Å; E216-K220 WeakPolarHBondContact OE1-CE 3.27Å; E216-K220 IonicContact OE1-NZ 3.85Å; E216-K220 PolarHBondContact OE1-NZ 3.5Å; E216-P259 WeakPolarHBondContact CA-O 3.33Å; E216-P259 HydrophobicContact CG-CB 4.25Å
217V96.4Very high95.6Very high99 Ų9985.8 Ų85.860%0.641%0.414SS*.Hα-helixtrans-60.6-46.4175.8175.10000110.7N213 E214 R219 K220 L221N213-V217 WeakPolarHBondContact O-CG2 3.39Å; N213-V217 PolarHBondContact O-N 3.16Å; N213-V217 VanDerWaalsContact O-N 3.13Å; E214-V217 PolarHBondContact O-N 3.27Å; V217-R219 VanDerWaalsContact C-N 3.34Å; V217-R219 PolarHBondContact O-N 3.15Å; V217-K220 PolarHBondContact O-N 3.42Å; V217-L221 PolarHBondContact O-N 3.41Å
218R96.3Very high95.7Very high129 Ų12984.2 Ų84.249%0.48741%0.409SS..Hα-helixtrans-61.4-40.7177.8-177.6176.3-98.2104.2-5.2111.9E214 Y215 E216 L221 L222E214-R218 PolarHBondContact O-N 2.95Å; E214-R218 IonicContact OE1-CZ 3.11Å; E214-R218 IonicContact OE1-NH1 2.96Å; E214-R218 PolarHBondContact OE1-NH1 2.86Å; Y215-R218 PolarHBondContact O-N 2.94Å; E216-R218 PolarHBondContact O-N 3.1Å; R218-L221 PolarHBondContact O-N 3.32Å; R218-L222 HydrophobicContact CG-CD1 4.28Å; R218-L222 WeakPolarHBondContact O-CG 3.39Å; R218-L222 PolarHBondContact O-N 3.06Å
219R96.1Very high95.7Very high85 Ų8585.8 Ų85.832%0.32142%0.42SS..Hα-helixtrans-67.7-42.4176.9-73.1-178.381.2-168.46.6111.7Y215 E216 V217 L221 L222 I223 S258 K260Y215-R219 WeakPolarHBondContact O-CB 3.37Å; Y215-R219 VanDerWaalsContact O-CG 3.27Å; Y215-R219 WeakPolarHBondContact O-CG 3.21Å; Y215-R219 PolarHBondContact O-N 3.42Å; E216-R219 PolarHBondContact O-N 2.98Å; V217-R219 VanDerWaalsContact C-N 3.34Å; V217-R219 PolarHBondContact O-N 3.15Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 PolarHBondContact O-N 3.16Å; R219-L222 PolarHBondContact O-N 3.35Å; R219-I223 VanDerWaalsContact O-CB 3.31Å; R219-I223 WeakPolarHBondContact O-CB 3.12Å; R219-I223 WeakPolarHBondContact O-CG1 3.46Å; R219-I223 PolarHBondContact O-N 3.38Å; R219-S258 PolarHBondContact NE-O 3.4Å; R219-S258 PolarHBondContact NH1-O 3.24Å; R219-S258 PolarHBondContact NH2-O 3.39Å; R219-K260 VanDerWaalsContact NH1-C 3.28Å; R219-K260 PolarHBondContact NH1-O 2.96Å
220K96.1Very high95.5Very high105 Ų10581.5 Ų81.546%0.45740%0.401SS..Hα-helixtrans-55.5-46172.4-73.9174.8-176.8165.80111.3E216 V217 I223 K224 P259E216-K220 HydrophobicContact CG-CD 4.41Å; E216-K220 WeakPolarHBondContact O-CG 3.45Å; E216-K220 PolarHBondContact O-N 2.96Å; E216-K220 WeakPolarHBondContact OE1-CE 3.27Å; E216-K220 IonicContact OE1-NZ 3.85Å; E216-K220 PolarHBondContact OE1-NZ 3.5Å; V217-K220 PolarHBondContact O-N 3.42Å; K220-I223 PolarHBondContact O-N 3.43Å; K220-K224 VanDerWaalsContact O-CB 3.32Å; K220-K224 WeakPolarHBondContact O-CB 3.23Å; K220-K224 PolarHBondContact O-N 2.82Å; K220-P259 HydrophobicContact CD-CB 4.35Å; K220-P259 HydrophobicContact CG-CB 3.48Å; K220-P259 VanDerWaalsContact CG-CB 3.48Å; K220-P259 HydrophobicContact CG-CG 4.42Å
221L97.2Very high95.3Very high107 Ų10784.1 Ų84.156%0.5640%0.403SS*.Hα-helixtrans-59.7-52.1176.2-173.8169.3000111.1V217 R218 R219 I223 K224 R225V217-L221 PolarHBondContact O-N 3.41Å; R218-L221 PolarHBondContact O-N 3.32Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 PolarHBondContact O-N 3.16Å; L221-I223 VanDerWaalsContact C-N 3.33Å; L221-I223 PolarHBondContact O-N 2.97Å; L221-K224 CarbonylContact O-C 3.47Å; L221-K224 PolarHBondContact O-N 3.41Å; L221-R225 HydrophobicContact CD2-CB 4.49Å; L221-R225 WeakPolarHBondContact O-CB 3.21Å; L221-R225 PolarHBondContact O-N 3.05Å
222L96.6Very high95.1Very high94 Ų9482.5 Ų82.549%0.49240%0.399SS..Hα-helixtrans-61.5-41.9-178.3-72173.1000112.4R218 R219 R225 L226R218-L222 HydrophobicContact CG-CD1 4.28Å; R218-L222 WeakPolarHBondContact O-CG 3.39Å; R218-L222 PolarHBondContact O-N 3.06Å; R219-L222 PolarHBondContact O-N 3.35Å; L222-R225 PolarHBondContact O-N 2.88Å; L222-L226 PolarHBondContact O-N 2.92Å
223I96.5Very high94.8Very high17 Ų1786.9 Ų86.99%0.08741%0.413CS..Hα-helixtrans-62.3-45.7175.2-69.8169.6000110R219 K220 L221 R225 L226 D227 L257R219-I223 VanDerWaalsContact O-CB 3.31Å; R219-I223 WeakPolarHBondContact O-CB 3.12Å; R219-I223 WeakPolarHBondContact O-CG1 3.46Å; R219-I223 PolarHBondContact O-N 3.38Å; K220-I223 PolarHBondContact O-N 3.43Å; L221-I223 VanDerWaalsContact C-N 3.33Å; L221-I223 PolarHBondContact O-N 2.97Å; I223-R225 VanDerWaalsContact C-N 3.34Å; I223-R225 PolarHBondContact O-N 3.2Å; I223-L226 WeakPolarHBondContact O-CB 3.44Å; I223-L226 PolarHBondContact O-N 3.25Å; I223-D227 PolarHBondContact O-N 3.3Å; I223-L257 HydrophobicContact CD1-CB 4.11Å; I223-L257 HydrophobicContact CG1-CB 4.24Å
224K96.9Very high94.4Very high116 Ų11683.1 Ų83.150%0.50440%0.399SS..Hα-helixtrans-65.2-38177.3-17560.5178.8178.20112.2K220 L221 L226 D227 V228K220-K224 VanDerWaalsContact O-CB 3.32Å; K220-K224 WeakPolarHBondContact O-CB 3.23Å; K220-K224 PolarHBondContact O-N 2.82Å; L221-K224 CarbonylContact O-C 3.47Å; L221-K224 PolarHBondContact O-N 3.41Å; K224-L226 VanDerWaalsContact C-N 3.31Å; K224-D227 HydrophobicContact CD-CB 4.5Å; K224-D227 WeakPolarHBondContact O-CB 3.34Å; K224-D227 PolarHBondContact O-N 3.49Å; K224-V228 HydrophobicContact CD-CG2 4.4Å; K224-V228 WeakPolarHBondContact O-CG2 3.4Å; K224-V228 PolarHBondContact O-N 2.95Å
225R97.2Very high94Very high170 Ų17087.8 Ų87.864%0.64241%0.412SS*.Hα-helixtrans-61.8-42.2174.6-177.8179177.2-1790.5110.7L221 L222 I223 V228 T229L221-R225 HydrophobicContact CD2-CB 4.49Å; L221-R225 WeakPolarHBondContact O-CB 3.21Å; L221-R225 PolarHBondContact O-N 3.05Å; L222-R225 PolarHBondContact O-N 2.88Å; I223-R225 VanDerWaalsContact C-N 3.34Å; I223-R225 PolarHBondContact O-N 3.2Å; R225-V228 PolarHBondContact O-N 2.9Å; R225-T229 WeakPolarHBondContact O-CB 3.45Å; R225-T229 PolarHBondContact O-N 3.13Å; R225-T229 PolarHBondContact O-OG1 2.9Å
226L95.6Very high93.6Very high71 Ų7184.8 Ų84.837%0.37241%0.409SS..Hα-helixtrans-60.4-48.5173-179.666.3000110.8L222 I223 K224 V228 T229 V230 Y250 L257L222-L226 PolarHBondContact O-N 2.92Å; I223-L226 WeakPolarHBondContact O-CB 3.44Å; I223-L226 PolarHBondContact O-N 3.25Å; K224-L226 VanDerWaalsContact C-N 3.31Å; L226-V228 PolarHBondContact O-N 3.3Å; L226-T229 PolarHBondContact O-N 3.46Å; L226-V230 HydrophobicContact CD1-CG2 4.45Å; L226-V230 WeakPolarHBondContact O-CG2 3.48Å; L226-V230 PolarHBondContact O-N 3.3Å; L226-Y250 HydrophobicContact CD1-CE2 4.46Å; L226-Y250 HydrophobicContact CD2-CE2 3.93Å; L226-Y250 HydrophobicContact CG-CE2 3.88Å; L226-Y250 WeakPolarHBondContact CG-OH 3.36Å; L226-L257 HydrophobicContact CD2-CD1 3.72Å
227D94.5Very high93.1Very high22 Ų2288.5 Ų88.512%0.11843%0.43CS..Hα-helixtrans-54.5-50.6177.3-69.9-32.9000111.3I223 K224 T229 V230 Q231 Y250 R254I223-D227 PolarHBondContact O-N 3.3Å; K224-D227 HydrophobicContact CD-CB 4.5Å; K224-D227 WeakPolarHBondContact O-CB 3.34Å; K224-D227 PolarHBondContact O-N 3.49Å; D227-T229 VanDerWaalsContact C-N 3.34Å; D227-T229 PolarHBondContact O-N 3.34Å; D227-V230 PolarHBondContact O-N 3.33Å; D227-Q231 WeakPolarHBondContact O-CB 3.26Å; D227-Q231 VanDerWaalsContact O-CG 3.25Å; D227-Q231 WeakPolarHBondContact O-CG 3.39Å; D227-Q231 PolarHBondContact O-N 2.95Å; D227-Y250 WeakPolarHBondContact CA-OH 3.44Å; D227-Y250 PolarHBondContact N-OH 2.88Å; D227-Y250 PolarHBondContact OD1-OH 3.17Å; D227-R254 VanDerWaalsContact CG-NE 3.34Å; D227-R254 VanDerWaalsContact OD1-CD 3.27Å; D227-R254 WeakPolarHBondContact OD1-CD 3.28Å; D227-R254 IonicContact OD1-CZ 2.8Å; D227-R254 IonicContact OD1-NE 2.73Å; D227-R254 PolarHBondContact OD1-NE 3.36Å; D227-R254 IonicContact OD2-CZ 2.75Å; D227-R254 IonicContact OD2-NE 2.71Å; D227-R254 PolarHBondContact OD2-NE 3.42Å; D227-R254 VanDerWaalsContact OD2-NE 3.11Å; D227-R254 IonicContact OD2-NH2 3.15Å; D227-R254 PolarHBondContact OD2-NH2 2.93Å
228V95.8Very high92.6Very high67 Ų6794.3 Ų94.341%0.40644%0.441SS..Hα-helixtrans-66.6-35.9-179.5174.40000111.9K224 R225 L226 V230 Q231 S232K224-V228 HydrophobicContact CD-CG2 4.4Å; K224-V228 WeakPolarHBondContact O-CG2 3.4Å; K224-V228 PolarHBondContact O-N 2.95Å; R225-V228 PolarHBondContact O-N 2.9Å; L226-V228 PolarHBondContact O-N 3.3Å; V228-V230 VanDerWaalsContact C-N 3.35Å; V228-Q231 PolarHBondContact O-N 3.25Å; V228-S232 PolarHBondContact O-N 3.37Å
229T93.9Very high91.9Very high65 Ų6589.3 Ų89.340%0.39943%0.428SS..Hα-helixtrans-65.4-39.4176.2-56.30000111.2R225 L226 D227 S232 F233R225-T229 WeakPolarHBondContact O-CB 3.45Å; R225-T229 PolarHBondContact O-N 3.13Å; R225-T229 PolarHBondContact O-OG1 2.9Å; L226-T229 PolarHBondContact O-N 3.46Å; D227-T229 VanDerWaalsContact C-N 3.34Å; D227-T229 PolarHBondContact O-N 3.34Å; T229-S232 PolarHBondContact O-OG 2.86Å; T229-F233 HydrophobicContact CG2-CZ 4.44Å
230V91.2Very high91.4Very high22 Ų2290.6 Ų90.613%0.13344%0.436CS..Hα-helixtrans-71.4-38175.5175.60000110.9L226 D227 V228 S232 F233 L246 Y250L226-V230 HydrophobicContact CD1-CG2 4.45Å; L226-V230 WeakPolarHBondContact O-CG2 3.48Å; L226-V230 PolarHBondContact O-N 3.3Å; D227-V230 PolarHBondContact O-N 3.33Å; V228-V230 VanDerWaalsContact C-N 3.35Å; V230-S232 VanDerWaalsContact C-N 3.32Å; V230-S232 PolarHBondContact O-N 3.31Å; V230-F233 WeakPolarHBondContact O-CB 3.24Å; V230-F233 PolarHBondContact O-N 2.89Å; V230-L246 HydrophobicContact CG1-CD1 4.43Å; V230-L246 HydrophobicContact CG1-CD2 3.84Å; V230-L246 HydrophobicContact CG1-CG 4.09Å; V230-Y250 HydrophobicContact CB-CE1 4.43Å; V230-Y250 HydrophobicContact CB-CE2 4.44Å; V230-Y250 HydrophobicContact CG1-CD1 4.01Å; V230-Y250 HydrophobicContact CG1-CD2 4.31Å; V230-Y250 HydrophobicContact CG1-CE1 4.4Å; V230-Y250 HydrophobicContact CG1-CG 3.95Å; V230-Y250 HydrophobicContact CG2-CD2 3.83Å; V230-Y250 HydrophobicContact CG2-CE2 3.7Å; V230-Y250 HydrophobicContact CG2-CG 4.31Å
231Q90.4Very high91Very high117 Ų11789.6 Ų89.655%0.54744%0.442SS..Hα-helixtrans-61.8-37175.6-75173.7-3.300112.7D227 V228 F233 G234D227-Q231 WeakPolarHBondContact O-CB 3.26Å; D227-Q231 VanDerWaalsContact O-CG 3.25Å; D227-Q231 WeakPolarHBondContact O-CG 3.39Å; D227-Q231 PolarHBondContact O-N 2.95Å; V228-Q231 PolarHBondContact O-N 3.25Å; Q231-F233 PolarHBondContact O-N 3.37Å; Q231-G234 PolarHBondContact O-N 3.22Å
232S91.3Very high90.6Very high44 Ų4488.3 Ų88.331%0.30843%0.433SS..Hα-helixtrans-66.2-24.9-179.872.50000113.2V228 T229 V230 G234 W235V228-S232 PolarHBondContact O-N 3.37Å; T229-S232 PolarHBondContact O-OG 2.86Å; V230-S232 VanDerWaalsContact C-N 3.32Å; V230-S232 PolarHBondContact O-N 3.31Å; S232-G234 PolarHBondContact O-N 2.91Å; S232-W235 WeakPolarHBondContact O-CB 3.24Å; S232-W235 PolarHBondContact O-N 3.25Å; S232-W235 VanDerWaalsContact O-N 3.13Å
233F88.2Confident90.1Very high116 Ų11687.4 Ų87.451%0.50943%0.431SS..Hα-helixtrans-60.6-32.5171.6-61.5-28.4000111.8T229 V230 Q231 W235 A239 L246T229-F233 HydrophobicContact CG2-CZ 4.44Å; V230-F233 WeakPolarHBondContact O-CB 3.24Å; V230-F233 PolarHBondContact O-N 2.89Å; Q231-F233 PolarHBondContact O-N 3.37Å; F233-W235 PolarHBondContact O-N 3.2Å; F233-A239 WeakPolarHBondContact O-CB 3.36Å; F233-L246 HydrophobicContact CB-CD2 4.4Å
234G85.6Confident89.7Confident22 Ų2293.7 Ų93.723%0.22746%0.461CS..THydrogen-bonded Turntrans-72.60.8177.100000115.3Q231 S232 K240Q231-G234 PolarHBondContact O-N 3.22Å; S232-G234 PolarHBondContact O-N 2.91Å; G234-K240 WeakPolarHBondContact O-CG 3.44Å
235W86.7Confident89.4Confident205 Ų20594.7 Ų94.778%0.77747%0.465SS*.THydrogen-bonded Turntrans-79.1-22.2-179.2-66.41.4000113.3S232 F233S232-W235 WeakPolarHBondContact O-CB 3.24Å; S232-W235 PolarHBondContact O-N 3.25Å; S232-W235 VanDerWaalsContact O-N 3.13Å; F233-W235 PolarHBondContact O-N 3.2Å
236S88Confident89Confident61 Ų6189.9 Ų89.943%0.42745%0.451SS..SBendtrans-82.5142.6174.471.90000111.8R238 A239 K240S236-R238 PolarHBondContact O-N 2.94Å; S236-A239 PolarHBondContact O-N 3.45Å; S236-A239 WeakPolarHBondContact OG-CB 3.45Å; S236-A239 PolarHBondContact OG-N 3.04Å; S236-K240 WeakPolarHBondContact O-CG 3.49Å; S236-K240 PolarHBondContact O-N 3.14Å
237D85.5Confident88.7Confident125 Ų12588.3 Ų88.367%0.66845%0.449SS*.Hα-helixtrans-61.9-33.7-179.5-63.4-37.9000112.6A239 K240D237-A239 PolarHBondContact O-N 2.91Å; D237-K240 PolarHBondContact O-N 3.15Å; D237-K240 IonicContact OD1-NZ 2.79Å; D237-K240 PolarHBondContact OD1-NZ 2.68Å
238R84.4Confident88.6Confident220 Ų22094.9 Ų94.983%0.8348%0.476SS*.Hα-helixtrans-60-44.2172.4-176.1178.4176.5-175.8-0.1111.9S236 S241S236-R238 PolarHBondContact O-N 2.94Å; R238-S241 PolarHBondContact O-OG 2.77Å
239A82.4Confident88.4Confident25 Ų2596 Ų9621%0.20748%0.483CS..Hα-helixtrans-76-29.9-177.400000113.3F233 S236 D237 S241 Q242 T243F233-A239 WeakPolarHBondContact O-CB 3.36Å; S236-A239 PolarHBondContact O-N 3.45Å; S236-A239 WeakPolarHBondContact OG-CB 3.45Å; S236-A239 PolarHBondContact OG-N 3.04Å; D237-A239 PolarHBondContact O-N 2.91Å; A239-S241 PolarHBondContact O-N 2.81Å; A239-Q242 CarbonylContact O-C 3.5Å; A239-Q242 WeakPolarHBondContact O-CA 3.38Å; A239-Q242 PolarHBondContact O-N 3.05Å; A239-T243 PolarHBondContact O-N 3.45Å
240K85.1Confident88.4Confident112 Ų11294.3 Ų94.349%0.48747%0.47SS..Hα-helixtrans-54.6-40.4174.2-70.2175.6-168.4159.30111.7G234 S236 D237 Q242 T243G234-K240 WeakPolarHBondContact O-CG 3.44Å; S236-K240 WeakPolarHBondContact O-CG 3.49Å; S236-K240 PolarHBondContact O-N 3.14Å; D237-K240 PolarHBondContact O-N 3.15Å; D237-K240 IonicContact OD1-NZ 2.79Å; D237-K240 PolarHBondContact OD1-NZ 2.68Å; K240-Q242 PolarHBondContact O-N 2.8Å; K240-T243 WeakPolarHBondContact CA-OG1 3.42Å; K240-T243 WeakPolarHBondContact O-CB 3.45Å; K240-T243 PolarHBondContact O-N 3.44Å; K240-T243 PolarHBondContact O-OG1 3.2Å
241S87.8Confident88.5Confident83 Ų8398.6 Ų98.658%0.5849%0.488SS*.THydrogen-bonded Turntrans-64.8-15.8175.677.40000114.7R238 A239R238-S241 PolarHBondContact O-OG 2.77Å; A239-S241 PolarHBondContact O-N 2.81Å
242Q88.1Confident88.7Confident81 Ų8196.6 Ų96.638%0.37949%0.486SS..THydrogen-bonded Turntrans-113.912-177.6-54.6-57.1-57.100112.7A239 K240 E244 K245 L246A239-Q242 CarbonylContact O-C 3.5Å; A239-Q242 WeakPolarHBondContact O-CA 3.38Å; A239-Q242 PolarHBondContact O-N 3.05Å; K240-Q242 PolarHBondContact O-N 2.8Å; Q242-E244 VanDerWaalsContact C-N 3.28Å; Q242-E244 PolarHBondContact O-N 2.79Å; Q242-K245 PolarHBondContact O-N 2.81Å; Q242-K245 VanDerWaalsContact O-N 3.09Å; Q242-K245 VanDerWaalsContact OE1-CD 3.25Å; Q242-K245 VanDerWaalsContact OE1-CE 3.26Å; Q242-L246 PolarHBondContact O-N 3.31Å
243T86.8Confident88.8Confident74 Ų74101.6 Ų101.645%0.45450%0.502SS..Hα-helixtrans-55.8-42.1-175.8-56.20000112.2A239 K240 K245 L246 A247A239-T243 PolarHBondContact O-N 3.45Å; K240-T243 WeakPolarHBondContact CA-OG1 3.42Å; K240-T243 WeakPolarHBondContact O-CB 3.45Å; K240-T243 PolarHBondContact O-N 3.44Å; K240-T243 PolarHBondContact O-OG1 3.2Å; T243-K245 PolarHBondContact O-N 3.06Å; T243-L246 PolarHBondContact O-N 3.29Å; T243-A247 WeakPolarHBondContact O-CB 3.41Å; T243-A247 PolarHBondContact O-N 3.16Å
244E88.6Confident89.1Confident150 Ų15099.1 Ų99.170%0.70149%0.489SS*.Hα-helixtrans-63.2-41.5178.4-67.4-176.3179.900112.6Q242 L246 A247 K248Q242-E244 VanDerWaalsContact C-N 3.28Å; Q242-E244 PolarHBondContact O-N 2.79Å; E244-L246 VanDerWaalsContact C-N 3.33Å; E244-A247 PolarHBondContact O-N 2.87Å; E244-K248 WeakPolarHBondContact O-CB 3.31Å; E244-K248 WeakPolarHBondContact O-CG 3.32Å; E244-K248 PolarHBondContact O-N 2.9Å
245K89.9Confident89.5Confident137 Ų137102.6 Ų102.660%0.59651%0.509SS*.Hα-helixtrans-65.3-40.5177.2-63.4-171.8-169.31620111Q242 T243 K248 V249Q242-K245 PolarHBondContact O-N 2.81Å; Q242-K245 VanDerWaalsContact O-N 3.09Å; Q242-K245 VanDerWaalsContact OE1-CD 3.25Å; Q242-K245 VanDerWaalsContact OE1-CE 3.26Å; T243-K245 PolarHBondContact O-N 3.06Å; K245-K248 PolarHBondContact O-N 3.18Å; K245-V249 PolarHBondContact O-N 2.76Å
246L88.3Confident89.8Confident68 Ų6898.5 Ų98.536%0.35651%0.507SS..Hα-helixtrans-63.9-44176-17367.6000111.3V230 F233 Q242 T243 E244 V249 Y250V230-L246 HydrophobicContact CG1-CD1 4.43Å; V230-L246 HydrophobicContact CG1-CD2 3.84Å; V230-L246 HydrophobicContact CG1-CG 4.09Å; F233-L246 HydrophobicContact CB-CD2 4.4Å; Q242-L246 PolarHBondContact O-N 3.31Å; T243-L246 PolarHBondContact O-N 3.29Å; E244-L246 VanDerWaalsContact C-N 3.33Å; L246-V249 PolarHBondContact O-N 3.19Å; L246-Y250 WeakPolarHBondContact O-CB 3.5Å; L246-Y250 PolarHBondContact O-N 3.35Å
247A89.4Confident90Very high38 Ų3898.8 Ų98.831%0.31450%0.504SS..Hα-helixtrans-62.9-43.7177.900000112.1T243 E244 V249 Y250 Q251T243-A247 WeakPolarHBondContact O-CB 3.41Å; T243-A247 PolarHBondContact O-N 3.16Å; E244-A247 PolarHBondContact O-N 2.87Å; A247-V249 PolarHBondContact O-N 3.06Å; A247-Y250 PolarHBondContact O-N 3.34Å; A247-Q251 HydrophobicContact CB-CG 4.43Å; A247-Q251 WeakPolarHBondContact O-CB 3.04Å; A247-Q251 WeakPolarHBondContact O-CG 3.17Å; A247-Q251 PolarHBondContact O-N 3.26Å
248K93.6Very high90.4Very high160 Ų16095.4 Ų95.470%0.69649%0.489SS*.Hα-helixtrans-55.6-33.7175.7-78.2177.4179.8-178.70112.7E244 K245 P252E244-K248 WeakPolarHBondContact O-CB 3.31Å; E244-K248 WeakPolarHBondContact O-CG 3.32Å; E244-K248 PolarHBondContact O-N 2.9Å; K245-K248 PolarHBondContact O-N 3.18Å; K248-P252 WeakPolarHBondContact O-CD 3.19Å; K248-P252 WeakPolarHBondContact O-CG 3.3Å
249V91.4Very high90.8Very high92 Ų9286.9 Ų86.956%0.55846%0.462SS*.Hα-helixtrans-86.8-40.1178178.40000112.4K245 L246 A247K245-V249 PolarHBondContact O-N 2.76Å; L246-V249 PolarHBondContact O-N 3.19Å; A247-V249 PolarHBondContact O-N 3.06Å
250Y93.2Very high91.2Very high28 Ų2892.3 Ų92.311%0.1148%0.481CS..Hα-helixtrans-79.2-45.8-171.8-180-116.3000113.5L226 D227 V230 L246 A247 K253 R254L226-Y250 HydrophobicContact CD1-CE2 4.46Å; L226-Y250 HydrophobicContact CD2-CE2 3.93Å; L226-Y250 HydrophobicContact CG-CE2 3.88Å; L226-Y250 WeakPolarHBondContact CG-OH 3.36Å; D227-Y250 WeakPolarHBondContact CA-OH 3.44Å; D227-Y250 PolarHBondContact N-OH 2.88Å; D227-Y250 PolarHBondContact OD1-OH 3.17Å; V230-Y250 HydrophobicContact CB-CE1 4.43Å; V230-Y250 HydrophobicContact CB-CE2 4.44Å; V230-Y250 HydrophobicContact CG1-CD1 4.01Å; V230-Y250 HydrophobicContact CG1-CD2 4.31Å; V230-Y250 HydrophobicContact CG1-CE1 4.4Å; V230-Y250 HydrophobicContact CG1-CG 3.95Å; V230-Y250 HydrophobicContact CG2-CD2 3.83Å; V230-Y250 HydrophobicContact CG2-CE2 3.7Å; V230-Y250 HydrophobicContact CG2-CG 4.31Å; L246-Y250 WeakPolarHBondContact O-CB 3.5Å; L246-Y250 PolarHBondContact O-N 3.35Å; A247-Y250 PolarHBondContact O-N 3.34Å; Y250-K253 PolarHBondContact O-N 3.23Å; Y250-R254 HydrophobicContact CD1-CB 4.29Å; Y250-R254 HydrophobicContact CE1-CB 3.89Å; Y250-R254 HydrophobicContact CE1-CG 3.93Å; Y250-R254 HydrophobicContact CE2-CB 4.21Å; Y250-R254 WeakPolarHBondContact O-CB 3.37Å; Y250-R254 PolarHBondContact O-N 3.5Å; Y250-R254 WeakPolarHBondContact OH-CD 3.37Å
251Q93.9Very high91.3Very high113 Ų11388.9 Ų88.953%0.52847%0.472SS..Hα-helixtrans-59.6-42.3-171.7-66.1-63.3-9.500113.7A247 K253 R254 S255A247-Q251 HydrophobicContact CB-CG 4.43Å; A247-Q251 WeakPolarHBondContact O-CB 3.04Å; A247-Q251 WeakPolarHBondContact O-CG 3.17Å; A247-Q251 PolarHBondContact O-N 3.26Å; Q251-K253 VanDerWaalsContact C-N 3.29Å; Q251-K253 PolarHBondContact O-N 3.46Å; Q251-R254 PolarHBondContact O-N 2.86Å; Q251-S255 PolarHBondContact O-N 3.34Å; Q251-S255 PolarHBondContact O-OG 3.25Å
252P94.5Very high91.4Very high75 Ų7590.4 Ų90.449%0.48748%0.478SS..Hα-helixtrans-62.6-35.1175.7-23.134.6000113.1K248 S255K248-P252 WeakPolarHBondContact O-CD 3.19Å; K248-P252 WeakPolarHBondContact O-CG 3.3Å; P252-S255 PolarHBondContact O-OG 2.92Å
253K93.8Very high91.5Very high148 Ų14891.2 Ų91.264%0.64348%0.484SS*.Hα-helixtrans-73-36.9176.8-65.1-174.6178.3-171.70111.2Y250 Q251 L257Y250-K253 PolarHBondContact O-N 3.23Å; Q251-K253 VanDerWaalsContact C-N 3.29Å; Q251-K253 PolarHBondContact O-N 3.46Å; K253-L257 WeakPolarHBondContact O-CG 3.46Å
254R94.4Very high91.7Very high65 Ų6589.8 Ų89.825%0.24548%0.476CS..Hα-helixtrans-71-34.8-178.6178.553.7179.580.96.9113D227 Y250 Q251 V256 L257D227-R254 VanDerWaalsContact CG-NE 3.34Å; D227-R254 VanDerWaalsContact OD1-CD 3.27Å; D227-R254 WeakPolarHBondContact OD1-CD 3.28Å; D227-R254 IonicContact OD1-CZ 2.8Å; D227-R254 IonicContact OD1-NE 2.73Å; D227-R254 PolarHBondContact OD1-NE 3.36Å; D227-R254 IonicContact OD2-CZ 2.75Å; D227-R254 IonicContact OD2-NE 2.71Å; D227-R254 PolarHBondContact OD2-NE 3.42Å; D227-R254 VanDerWaalsContact OD2-NE 3.11Å; D227-R254 IonicContact OD2-NH2 3.15Å; D227-R254 PolarHBondContact OD2-NH2 2.93Å; Y250-R254 HydrophobicContact CD1-CB 4.29Å; Y250-R254 HydrophobicContact CE1-CB 3.89Å; Y250-R254 HydrophobicContact CE1-CG 3.93Å; Y250-R254 HydrophobicContact CE2-CB 4.21Å; Y250-R254 WeakPolarHBondContact O-CB 3.37Å; Y250-R254 PolarHBondContact O-N 3.5Å; Y250-R254 WeakPolarHBondContact OH-CD 3.37Å; Q251-R254 PolarHBondContact O-N 2.86Å; R254-V256 VanDerWaalsContact C-N 3.29Å; R254-V256 PolarHBondContact O-N 2.78Å; R254-L257 PolarHBondContact O-N 2.92Å
255S93.3Very high91.8Very high94 Ų9483.4 Ų83.466%0.65745%0.448SS*.Hα-helixtrans-66.4-29.7-179.561.70000113.1Q251 P252 L257Q251-S255 PolarHBondContact O-N 3.34Å; Q251-S255 PolarHBondContact O-OG 3.25Å; P252-S255 PolarHBondContact O-OG 2.92Å; S255-L257 VanDerWaalsContact C-N 3.32Å
256V93.7Very high91.8Very high120 Ų12079.8 Ų79.873%0.72744%0.444SS*.THydrogen-bonded Turntrans-77.9-17.9178-176.20000112.3R254 S258R254-V256 VanDerWaalsContact C-N 3.29Å; R254-V256 PolarHBondContact O-N 2.78Å; V256-S258 PolarHBondContact O-N 3.47Å
257L92.8Very high91.9Very high67 Ų6780.8 Ų80.835%0.35145%0.446SS..  trans-79104.5-179.8-61.7177.6000111.2I223 L226 K253 R254 S255I223-L257 HydrophobicContact CD1-CB 4.11Å; I223-L257 HydrophobicContact CG1-CB 4.24Å; L226-L257 HydrophobicContact CD2-CD1 3.72Å; K253-L257 WeakPolarHBondContact O-CG 3.46Å; R254-L257 PolarHBondContact O-N 2.92Å; S255-L257 VanDerWaalsContact C-N 3.32Å
258S93.2Very high91.9Very high53 Ų5382 Ų8237%0.37145%0.447SS..  trans-89.4141.6174.4178.90000112.3R219 V256 K260R219-S258 PolarHBondContact NE-O 3.4Å; R219-S258 PolarHBondContact NH1-O 3.24Å; R219-S258 PolarHBondContact NH2-O 3.39Å; V256-S258 PolarHBondContact O-N 3.47Å; S258-K260 PolarHBondContact OG-N 3.18Å; S258-K260 VanDerWaalsContact OG-N 3.15Å
259P93Very high91.7Very high41 Ų4178.6 Ų78.627%0.26644%0.436SS..SBendtrans-73.7-28.1168.829.5-33.3000112.7E216 K220E216-P259 WeakPolarHBondContact CA-O 3.33Å; E216-P259 HydrophobicContact CG-CB 4.25Å; K220-P259 HydrophobicContact CD-CB 4.35Å; K220-P259 HydrophobicContact CG-CB 3.48Å; K220-P259 VanDerWaalsContact CG-CB 3.48Å; K220-P259 HydrophobicContact CG-CG 4.42Å
260K91.1Very high91.7Very high139 Ų13977.3 Ų77.360%0.60444%0.435SS*.SBendtrans-75.3129.9-173.8-65.3-170.9178-176.80111.5R219 S258R219-K260 VanDerWaalsContact NH1-C 3.28Å; R219-K260 PolarHBondContact NH1-O 2.96Å; S258-K260 PolarHBondContact OG-N 3.18Å; S258-K260 VanDerWaalsContact OG-N 3.15Å
261S87.1Confident91.6Very high41 Ų4176.4 Ų76.429%0.28743%0.433SS..  trans-65141172.4-173.30000110.7I263S261-I263 PolarHBondContact OG-N 2.88Å
262T88.8Confident91.5Very high115 Ų11574.2 Ų74.271%0.70642%0.42SS*.  trans-94.6-4.5170.955.40000112.2H267T262-H267 PolarHBondContact O-CE1 3.4Å
263I90Very high91.3Very high98 Ų9873.2 Ų73.250%0.50341%0.409SS..  trans-78.2136.6-178.3-54.1-58.5000109.9S261 H267S261-I263 PolarHBondContact OG-N 2.88Å; I263-H267 HydrophobicContact CG2-CB 4.23Å
264S91Very high90.9Very high43 Ų4370.9 Ų70.930%0.30140%0.404SS..  trans-143.2173.1-178.2680000110.8A266 H267S264-A266 PolarHBondContact O-N 2.93Å; S264-A266 VanDerWaalsContact O-N 3.15Å; S264-A266 PolarHBondContact OG-N 3.23Å; S264-H267 PolarHBondContact N-ND1 3.11Å; S264-H267 VanDerWaalsContact O-CB 3.3Å; S264-H267 WeakPolarHBondContact O-CB 3.49Å; S264-H267 PolarHBondContact O-N 3.45Å; S264-H267 PolarHBondContact OG-ND1 2.96Å
265V91.4Very high90.4Very high17 Ų1773.5 Ų73.510%0.10342%0.422CS..Hα-helixtrans-58-27.7175.6-179.90000112.6W201 I204 E205 N208 H267 L268 L269W201-V265 HydrophobicContact CE3-CG1 4.08Å; W201-V265 HydrophobicContact CZ3-CG1 3.73Å; I204-V265 HydrophobicContact CG2-CB 4.48Å; I204-V265 HydrophobicContact CG2-CG1 3.87Å; I204-V265 HydrophobicContact CG2-CG2 3.78Å; E205-V265 WeakPolarHBondContact OE2-CG2 3.33Å; N208-V265 HydrophobicContact CB-CG2 3.88Å; V265-H267 VanDerWaalsContact C-N 3.25Å; V265-H267 PolarHBondContact O-N 2.95Å; V265-L268 WeakPolarHBondContact O-CB 3.37Å; V265-L268 PolarHBondContact O-N 2.98Å; V265-L268 VanDerWaalsContact O-N 3.13Å; V265-L269 PolarHBondContact O-N 3.3Å; V265-L269 VanDerWaalsContact O-N 3.14Å
266A89.8Confident89.8Confident61 Ų6172.6 Ų72.650%0.50442%0.415SS..Hα-helixtrans-60.3-35.6172.900000112.4S264 L268 L269 A270S264-A266 PolarHBondContact O-N 2.93Å; S264-A266 VanDerWaalsContact O-N 3.15Å; S264-A266 PolarHBondContact OG-N 3.23Å; A266-L268 VanDerWaalsContact C-N 3.34Å; A266-L269 WeakPolarHBondContact O-CB 3.41Å; A266-L269 PolarHBondContact O-N 3.2Å; A266-A270 WeakPolarHBondContact O-CB 3.33Å; A266-A270 PolarHBondContact O-N 3.41Å
267H91.4Very high89.2Confident89 Ų8974.2 Ų74.241%0.41241%0.413SS..Hα-helixtrans-68.6-34.4176.5-63.782.6000111.8T262 I263 S264 V265 L269 A270 A271T262-H267 PolarHBondContact O-CE1 3.4Å; I263-H267 HydrophobicContact CG2-CB 4.23Å; S264-H267 PolarHBondContact N-ND1 3.11Å; S264-H267 VanDerWaalsContact O-CB 3.3Å; S264-H267 WeakPolarHBondContact O-CB 3.49Å; S264-H267 PolarHBondContact O-N 3.45Å; S264-H267 PolarHBondContact OG-ND1 2.96Å; V265-H267 VanDerWaalsContact C-N 3.25Å; V265-H267 PolarHBondContact O-N 2.95Å; H267-L269 VanDerWaalsContact C-N 3.33Å; H267-A270 PolarHBondContact O-N 3.48Å; H267-A271 WeakPolarHBondContact O-CB 3.41Å; H267-A271 PolarHBondContact O-N 3.15Å
268L89.4Confident88.4Confident62 Ų6278.6 Ų78.633%0.32544%0.435SS..Hα-helixtrans-62.8-40.5172.5174.565.7000111.4L192 I204 V265 A266 A271L192-L268 HydrophobicContact CD2-CD2 4.38Å; L192-L268 HydrophobicContact CD2-CG 4.45Å; I204-L268 HydrophobicContact CG2-CD2 3.95Å; V265-L268 WeakPolarHBondContact O-CB 3.37Å; V265-L268 PolarHBondContact O-N 2.98Å; V265-L268 VanDerWaalsContact O-N 3.13Å; A266-L268 VanDerWaalsContact C-N 3.34Å; L268-A271 WeakPolarHBondContact O-CB 3.43Å; L268-A271 PolarHBondContact O-N 3.05Å
269L89.4Confident87.4Confident90 Ų9081.8 Ų81.847%0.47145%0.447SS..Hα-helixtrans-69.1-37.5176.8-72.4175000112.7L192 W201 V265 A266 H267 A271 R272L192-L269 HydrophobicContact CD2-CD2 4.3Å; W201-L269 HydrophobicContact CH2-CD1 4.32Å; W201-L269 HydrophobicContact CH2-CD2 3.6Å; W201-L269 HydrophobicContact CH2-CG 4.24Å; W201-L269 HydrophobicContact CZ2-CD2 4.44Å; W201-L269 HydrophobicContact CZ3-CD2 4.37Å; V265-L269 PolarHBondContact O-N 3.3Å; V265-L269 VanDerWaalsContact O-N 3.14Å; A266-L269 WeakPolarHBondContact O-CB 3.41Å; A266-L269 PolarHBondContact O-N 3.2Å; H267-L269 VanDerWaalsContact C-N 3.33Å; L269-A271 VanDerWaalsContact C-N 3.28Å; L269-A271 PolarHBondContact O-N 3.18Å; L269-R272 PolarHBondContact O-NH1 3.15Å
270A90.4Very high86.5Confident64 Ų6489.1 Ų89.153%0.52947%0.469SS..Hα-helixtrans-71.4-23.7175.500000112.5A266 H267 R272A266-A270 WeakPolarHBondContact O-CB 3.33Å; A266-A270 PolarHBondContact O-N 3.41Å; H267-A270 PolarHBondContact O-N 3.48Å; A270-R272 PolarHBondContact O-NH1 3.28Å
271A91.3Very high85.5Confident9 Ų988.2 Ų88.27%0.07448%0.476CS..  trans-59.6140.9-174.700000113.4L191 H267 L268 L269 L275L191-A271 HydrophobicContact CB-CB 4Å; L191-A271 HydrophobicContact CD2-CB 4.06Å; L191-A271 PolarHBondContact N-O 2.96Å; H267-A271 WeakPolarHBondContact O-CB 3.41Å; H267-A271 PolarHBondContact O-N 3.15Å; L268-A271 WeakPolarHBondContact O-CB 3.43Å; L268-A271 PolarHBondContact O-N 3.05Å; L269-A271 VanDerWaalsContact C-N 3.28Å; L269-A271 PolarHBondContact O-N 3.18Å; A271-L275 HydrophobicContact CB-CD1 3.83Å
272R91.8Very high84.7Confident68 Ų6890.2 Ų90.226%0.25749%0.489SS..BIsolated β-bridgetrans-117.2165.6179-61.6-62.8175.9-102.20.1110.2V187 K189 L269 A270 D274 L275V187-R272 VanDerWaalsContact O-CD 3.3Å; V187-R272 WeakPolarHBondContact O-CD 3.48Å; V187-R272 WeakPolarHBondContact O-CG 3.24Å; V187-R272 PolarHBondContact O-NE 3.03Å; K189-R272 WeakPolarHBondContact O-CA 3.27Å; K189-R272 WeakPolarHBondContact O-CD 3.25Å; L269-R272 PolarHBondContact O-NH1 3.15Å; A270-R272 PolarHBondContact O-NH1 3.28Å; R272-D274 VanDerWaalsContact C-OD1 3.22Å; R272-D274 WeakPolarHBondContact CB-OD1 3.48Å; R272-D274 PolarHBondContact O-N 3.28Å; R272-L275 WeakPolarHBondContact O-CB 3.44Å; R272-L275 PolarHBondContact O-N 3.33Å
273Q90Very high83.9Confident53 Ų5386.2 Ų86.225%0.24847%0.466CS..G310 helixtrans-65.3-21-173.5-81.1164.829.900114.9K189 P190 L275 S276K189-Q273 HydrophobicContact CB-CG 4.44Å; K189-Q273 PolarHBondContact O-N 3.42Å; P190-Q273 PolarHBondContact O-NE2 3.26Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-S276 PolarHBondContact O-N 3.17Å; Q273-S276 PolarHBondContact O-OG 3.04Å
274D84.8Confident83.1Confident100 Ų10083.2 Ų83.254%0.53546%0.46SS..G310 helixtrans-63.5-33.4170.259.5-26.2000112.1R272 S276 K277R272-D274 VanDerWaalsContact C-OD1 3.22Å; R272-D274 WeakPolarHBondContact CB-OD1 3.48Å; R272-D274 PolarHBondContact O-N 3.28Å; D274-S276 PolarHBondContact O-N 2.94Å; D274-K277 VanDerWaalsContact O-CB 3.28Å; D274-K277 WeakPolarHBondContact O-CB 3.36Å; D274-K277 PolarHBondContact O-N 3.34Å
275L83.9Confident82.2Confident120 Ų12084.1 Ų84.163%0.62847%0.466SS*.G310 helixtrans-66.8-17.7176.1-66-178.8000114A271 R272 Q273 K277A271-L275 HydrophobicContact CB-CD1 3.83Å; R272-L275 WeakPolarHBondContact O-CB 3.44Å; R272-L275 PolarHBondContact O-N 3.33Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; L275-K277 PolarHBondContact O-N 3.14Å
276S82.3Confident81.4Confident75 Ų7585.8 Ų85.852%0.52447%0.474SS..G310 helixtrans-77.1-12171.870.50000113Q273 D274 I278Q273-S276 PolarHBondContact O-N 3.17Å; Q273-S276 PolarHBondContact O-OG 3.04Å; D274-S276 PolarHBondContact O-N 2.94Å; S276-I278 PolarHBondContact O-N 2.97Å; S276-I278 VanDerWaalsContact O-N 3.09Å
277K81.6Confident80.6Confident154 Ų15487.2 Ų87.267%0.6747%0.466SS*.  trans-81.388.5174.9-58179.8-178.5178.30108.9D274 L275 L279D274-K277 VanDerWaalsContact O-CB 3.28Å; D274-K277 WeakPolarHBondContact O-CB 3.36Å; D274-K277 PolarHBondContact O-N 3.34Å; L275-K277 PolarHBondContact O-N 3.14Å; K277-L279 PolarHBondContact O-N 3.5Å
278I75.4Confident79.8Confident159 Ų15988.9 Ų88.982%0.81547%0.474SS*.  trans-70.496174.2-56.3174.7000108.5S276 R280S276-I278 PolarHBondContact O-N 2.97Å; S276-I278 VanDerWaalsContact O-N 3.09Å; I278-R280 PolarHBondContact O-N 3Å
279L71.8Confident79.1Confident119 Ų11994.7 Ų94.762%0.62350%0.497SS*.  trans-72.8124.3170.8-65.1174.7000108.7K277 T281 I286K277-L279 PolarHBondContact O-N 3.5Å; L279-T281 PolarHBondContact O-N 3.15Å; L279-I286 HydrophobicContact CB-CD1 3.89Å
280R74.6Confident78.1Confident195 Ų19594.5 Ų94.574%0.73650%0.5SS*.  trans-61126.8173.9-71.6-174.1179.4-179.60.2108.8I278 S282 S283I278-R280 PolarHBondContact O-N 3Å; R280-S282 PolarHBondContact O-N 3.05Å; R280-S282 VanDerWaalsContact O-N 3.12Å; R280-S283 WeakPolarHBondContact O-CB 3.19Å; R280-S283 PolarHBondContact O-N 2.98Å; R280-S283 PolarHBondContact O-OG 3.3Å
281T68.7Low77Confident120 Ų12094.5 Ų94.574%0.73650%0.5SS*.THydrogen-bonded Turntrans-58.7-23.5174.747.90000112.6L279 S283L279-T281 PolarHBondContact O-N 3.15Å; T281-S283 VanDerWaalsContact C-N 3.34Å
282S70.7Confident76Confident83 Ų8397 Ų9758%0.5852%0.516SS*.THydrogen-bonded Turntrans-82.8-1.4172.957.30000114.9R280R280-S282 PolarHBondContact O-N 3.05Å; R280-S282 VanDerWaalsContact O-N 3.12Å
283S73Confident75.1Confident31 Ų3197.8 Ų97.822%0.21754%0.537CS..SBendtrans-64.2146179.965.90000111.5R280 T281 S285 I286 R287R280-S283 WeakPolarHBondContact O-CB 3.19Å; R280-S283 PolarHBondContact O-N 2.98Å; R280-S283 PolarHBondContact O-OG 3.3Å; T281-S283 VanDerWaalsContact C-N 3.34Å; S283-S285 VanDerWaalsContact C-N 3.27Å; S283-S285 PolarHBondContact O-N 3.05Å; S283-S285 PolarHBondContact OG-OG 2.97Å; S283-I286 PolarHBondContact O-N 3.13Å; S283-I286 VanDerWaalsContact O-N 3.12Å; S283-I286 WeakPolarHBondContact OG-CG1 3.42Å; S283-R287 PolarHBondContact O-N 3.25Å
284G72.5Confident73.8Confident36 Ų36102.6 Ų102.637%0.37156%0.563SS.*Hα-helixtrans-51.9-46.4179.500000112.3I286 R287 E288G284-I286 VanDerWaalsContact C-N 3.31Å; G284-I286 PolarHBondContact O-N 3.23Å; G284-R287 PolarHBondContact O-N 3.27Å; G284-R287 VanDerWaalsContact O-N 3.12Å; G284-E288 VanDerWaalsContact O-CG 3.31Å; G284-E288 WeakPolarHBondContact O-CG 3.4Å; G284-E288 PolarHBondContact O-N 2.9Å
285S73.1Confident72.8Confident62 Ų62102.3 Ų102.343%0.43456%0.561SS.*Hα-helixtrans-59.8-32.3179.967.20000115.4S283S283-S285 VanDerWaalsContact C-N 3.27Å; S283-S285 PolarHBondContact O-N 3.05Å; S283-S285 PolarHBondContact OG-OG 2.97Å
286I73.4Confident71.9Confident52 Ų52104.1 Ų104.127%0.26756%0.564SS.*Hα-helixtrans-82.5-38.9176.4-67-178.4000109.8L279 S283 G284 K289 T290L279-I286 HydrophobicContact CB-CD1 3.89Å; S283-I286 PolarHBondContact O-N 3.13Å; S283-I286 VanDerWaalsContact O-N 3.12Å; S283-I286 WeakPolarHBondContact OG-CG1 3.42Å; G284-I286 VanDerWaalsContact C-N 3.31Å; G284-I286 PolarHBondContact O-N 3.23Å; I286-K289 PolarHBondContact O-N 3.41Å; I286-T290 HydrophobicContact CG2-CG2 4.48Å; I286-T290 WeakPolarHBondContact O-CG2 3.45Å; I286-T290 PolarHBondContact O-N 3.36Å; I286-T290 VanDerWaalsContact O-N 3.16Å; I286-T290 PolarHBondContact O-OG1 3.19Å
287R73.6Confident71.4Confident90 Ų90105.5 Ų105.534%0.3457%0.569SS.*Hα-helixtrans-68.3-35.3179.3-71.5-162.368.7-160.6-5.5113.3S283 G284 K289 T290 A291 V297 L298S283-R287 PolarHBondContact O-N 3.25Å; G284-R287 PolarHBondContact O-N 3.27Å; G284-R287 VanDerWaalsContact O-N 3.12Å; R287-K289 PolarHBondContact O-N 3.18Å; R287-T290 WeakPolarHBondContact CA-OG1 3.49Å; R287-T290 CarbonylContact O-C 3.33Å; R287-T290 PolarHBondContact O-N 3.18Å; R287-A291 PolarHBondContact O-N 3.18Å; R287-A291 VanDerWaalsContact O-N 3.13Å; R287-V297 PolarHBondContact NH2-O 3.17Å; R287-L298 HydrophobicContact CB-CD1 3.43Å; R287-L298 VanDerWaalsContact CB-CD1 3.43Å
288E74.6Confident70.9Confident124 Ų124101.5 Ų101.558%0.57956%0.555SS**Hα-helixtrans-54.7-40.5171.7-78.8167.2-163.500111.5G284 L298G284-E288 VanDerWaalsContact O-CG 3.31Å; G284-E288 WeakPolarHBondContact O-CG 3.4Å; G284-E288 PolarHBondContact O-N 2.9Å; E288-L298 HydrophobicContact CG-CD1 4.44Å; E288-L298 HydrophobicContact CG-CD2 3.4Å
289K74Confident70.5Confident185 Ų185100.4 Ų100.480%0.80455%0.548SS*.THydrogen-bonded Turntrans-88.7-6.4-177.4-60.4-177.9-177.4-176.90114.1I286 R287I286-K289 PolarHBondContact O-N 3.41Å; R287-K289 PolarHBondContact O-N 3.18Å
290T69.1Low70.6Confident86 Ų8697.6 Ų97.653%0.52855%0.547SS..THydrogen-bonded Turntrans-121.416.4-178.7530000112.7I286 R287 C292I286-T290 HydrophobicContact CG2-CG2 4.48Å; I286-T290 WeakPolarHBondContact O-CG2 3.45Å; I286-T290 PolarHBondContact O-N 3.36Å; I286-T290 VanDerWaalsContact O-N 3.16Å; I286-T290 PolarHBondContact O-OG1 3.19Å; R287-T290 WeakPolarHBondContact CA-OG1 3.49Å; R287-T290 CarbonylContact O-C 3.33Å; R287-T290 PolarHBondContact O-N 3.18Å; T290-C292 PolarHBondContact O-N 3.49Å
291A66.9Low70.4Confident64 Ų64100.2 Ų100.253%0.52956%0.558SS.*  trans-58.4134.2171.800000110.2R287 N295R287-A291 PolarHBondContact O-N 3.18Å; R287-A291 VanDerWaalsContact O-N 3.13Å; A291-N295 WeakPolarHBondContact CA-O 3.42Å
292C71Confident70.7Confident61 Ų6198 Ų9841%0.41254%0.544SS..  trans-141174.2178.575.40000110.2T290 I294 N295 K296T290-C292 PolarHBondContact O-N 3.49Å; C292-I294 PolarHBondContact O-N 2.67Å; C292-N295 PolarHBondContact N-O 3.46Å; C292-N295 CarbonylContact O-C 3.6Å; C292-N295 PolarHBondContact O-N 3.29Å; C292-N295 PolarHBondContact SG-N 2.91Å; C292-N295 VanDerWaalsContact SG-N 3.42Å; C292-K296 WeakPolarHBondContact O-CG 3.42Å; C292-K296 PolarHBondContact O-N 2.95Å
293A71.5Confident71.1Confident85 Ų8599 Ų9970%0.70255%0.548SS*.SBendtrans-56-20.5-179.400000114.1K296A293-K296 WeakPolarHBondContact O-CE 3.37Å
294I63.7Low71.3Confident154 Ų154102.4 Ų102.479%0.7956%0.564SS**SBendtrans-92.9-44175.6-56.6173.9000110.8C292C292-I294 PolarHBondContact O-N 2.67Å
295N63.7Low71.6Confident94 Ų94111 Ų11150%0.50359%0.585SS.*SBendtrans-10569.5-179.3-71.7-30.8000110.8A291 C292A291-N295 WeakPolarHBondContact CA-O 3.42Å; C292-N295 PolarHBondContact N-O 3.46Å; C292-N295 CarbonylContact O-C 3.6Å; C292-N295 PolarHBondContact O-N 3.29Å; C292-N295 PolarHBondContact SG-N 2.91Å; C292-N295 VanDerWaalsContact SG-N 3.42Å
296K64.7Low72Confident157 Ų157109.9 Ų109.968%0.68358%0.584SS**  trans-80.6-32.7-174.5-65-176.6-179.6179.80114.3C292 A293C292-K296 WeakPolarHBondContact O-CG 3.42Å; C292-K296 PolarHBondContact O-N 2.95Å; A293-K296 WeakPolarHBondContact O-CE 3.37Å
297V72.2Confident72.3Confident105 Ų105110.2 Ų110.264%0.63660%0.599SS**  trans-99.7116.4-168.8-174.80000110.6R287R287-V297 PolarHBondContact NH2-O 3.17Å
298L70.2Confident72.9Confident70 Ų70111.9 Ų111.937%0.36661%0.606SS.*  trans-85.2109163.7-169.578.7000108.2R287 E288 G300R287-L298 HydrophobicContact CB-CD1 3.43Å; R287-L298 VanDerWaalsContact CB-CD1 3.43Å; E288-L298 HydrophobicContact CG-CD1 4.44Å; E288-L298 HydrophobicContact CG-CD2 3.4Å; L298-G300 PolarHBondContact O-N 3.49Å
299M68.1Low72.7Confident135 Ų135111.4 Ų111.467%0.66561%0.613SS**  trans-68.3125.1170.1-67.6-108.8-83.800107.8V302M299-V302 HydrophobicContact CE-CG2 4.39Å
300G72.7Confident72.8Confident60 Ų60110.1 Ų110.162%0.61962%0.615SS**  trans-64.6-167.1175.500000112.3L298 V302L298-G300 PolarHBondContact O-N 3.49Å; G300-V302 PolarHBondContact O-N 3.2Å
301R71.9Confident73.4Confident251 Ų251110.7 Ų110.795%0.94761%0.612SS**  trans-59.2108.6173-72.7-170.6-172.6-1483.3109.1P303R301-P303 WeakPolarHBondContact O-CD 3.16Å
302V74.4Confident74Confident74 Ų74112.5 Ų112.545%0.44861%0.611SS.*PPolyproline II helixtrans-76.5118.9171.3-177.40000106.4M299 G300M299-V302 HydrophobicContact CE-CG2 4.39Å; G300-V302 PolarHBondContact O-N 3.2Å
303P78.2Confident74.2Confident103 Ų103117.9 Ų117.967%0.66963%0.631SS**PPolyproline II helixtrans-54.5142.5174.3-24.234.4000110R301 R305R301-P303 WeakPolarHBondContact O-CD 3.16Å; P303-R305 PolarHBondContact O-N 3.25Å; P303-R305 VanDerWaalsContact O-N 3.14Å
304D78.3Confident74.3Confident102 Ų102119.1 Ų119.155%0.54563%0.631SS.*PPolyproline II helixtrans-57.2121.7174.9-162.3-3000108.6G306 R308D304-G306 VanDerWaalsContact C-N 3.26Å; D304-G306 PolarHBondContact OD1-N 2.94Å; D304-R308 IonicContact OD1-CZ 2.82Å; D304-R308 IonicContact OD1-NH2 3.88Å; D304-R308 PolarHBondContact OD1-NH2 2.95Å; D304-R308 IonicContact OD2-CZ 3.64Å; D304-R308 IonicContact OD2-NH1 2.72Å; D304-R308 PolarHBondContact OD2-NH1 3.25Å; D304-R308 IonicContact OD2-NH2 4Å; D304-R308 PolarHBondContact OD2-NH2 2.89Å
305R78.8Confident74.7Confident217 Ų217116.6 Ų116.682%0.81963%0.625SS**  trans-90.55.7-179.2-66.4-171.7176.8134.1-2.2112.1P303P303-R305 PolarHBondContact O-N 3.25Å; P303-R305 VanDerWaalsContact O-N 3.14Å
306G81Confident75.3Confident39 Ų39117.1 Ų117.140%0.40263%0.634SS.*  trans64.3-161-174.900000111.9D304D304-G306 VanDerWaalsContact C-N 3.26Å; D304-G306 PolarHBondContact OD1-N 2.94Å
307G79.3Confident75.7Confident58 Ų58115.6 Ų115.660%0.59864%0.64SS**  trans81.515.6177.700000113.9
308R85.8Confident75.6Confident126 Ų126119.5 Ų119.548%0.47565%0.651SS.*  trans-61.4135.9165.3-60.2-170.2-179.2102.710.6107.4D304 N310 E311 I312D304-R308 IonicContact OD1-CZ 2.82Å; D304-R308 IonicContact OD1-NH2 3.88Å; D304-R308 PolarHBondContact OD1-NH2 2.95Å; D304-R308 IonicContact OD2-CZ 3.64Å; D304-R308 IonicContact OD2-NH1 2.72Å; D304-R308 PolarHBondContact OD2-NH1 3.25Å; D304-R308 IonicContact OD2-NH2 4Å; D304-R308 PolarHBondContact OD2-NH2 2.89Å; R308-N310 PolarHBondContact O-N 2.51Å; R308-E311 HydrophobicContact CB-CB 4.32Å; R308-E311 HydrophobicContact CB-CG 3.99Å; R308-E311 VanDerWaalsContact CD-OE1 3.32Å; R308-E311 WeakPolarHBondContact CD-OE1 2.88Å; R308-E311 IonicContact CZ-OE1 2.82Å; R308-E311 IonicContact NE-OE1 2.79Å; R308-E311 IonicContact NH1-OE1 3.87Å; R308-E311 PolarHBondContact NH1-OE1 2.8Å; R308-E311 PolarHBondContact O-N 3.37Å; R308-I312 PolarHBondContact O-N 3.39Å
309P72.4Confident75.4Confident113 Ų113121.7 Ų121.773%0.73466%0.661SS**THydrogen-bonded Turntrans-52.5-23.8177.8-29.535.8000114.3
310N75.9Confident75.3Confident158 Ų158120.3 Ų120.385%0.84566%0.662SS**THydrogen-bonded Turntrans-85.5-10.9179-54.3-3.3000114R308R308-N310 PolarHBondContact O-N 2.51Å
311E81.8Confident74.9Confident99 Ų99122.6 Ų122.646%0.46367%0.666SS.*THydrogen-bonded Turntrans-105.1-10-179.9-67.1168.2-177.100112R308R308-E311 HydrophobicContact CB-CB 4.32Å; R308-E311 HydrophobicContact CB-CG 3.99Å; R308-E311 VanDerWaalsContact CD-OE1 3.32Å; R308-E311 WeakPolarHBondContact CD-OE1 2.88Å; R308-E311 IonicContact CZ-OE1 2.82Å; R308-E311 IonicContact NE-OE1 2.79Å; R308-E311 IonicContact NH1-OE1 3.87Å; R308-E311 PolarHBondContact NH1-OE1 2.8Å; R308-E311 PolarHBondContact O-N 3.37Å
312I77.8Confident74.4Confident101 Ų101121.7 Ų121.752%0.51866%0.663SS.*SBendtrans-83.3120.4176.5-63.1169.6000107R308R308-I312 PolarHBondContact O-N 3.39Å
313E75.6Confident73.8Confident174 Ų174126.5 Ų126.581%0.81368%0.68SS**PPolyproline II helixtrans-56.8128.2168.9-83.5-174.1157.400108.6
314P74Confident73.1Confident111 Ų111130.3 Ų130.372%0.72169%0.686SS**PPolyproline II helixtrans-55.8136.1175.722.1-30.3000108.1
315P72.2Confident72.4Confident101 Ų101136.5 Ų136.566%0.65670%0.702SS**PPolyproline II helixtrans-53.8141.5-179.722.3-32.2000109
316P75.1Confident71.4Confident106 Ų106135.3 Ų135.369%0.68871%0.706SS**PPolyproline II helixtrans-48.9138.6174.6-24.432.2000109.1E318P316-E318 PolarHBondContact O-N 2.91Å
317P74.2Confident70.1Confident124 Ų124140.3 Ų140.381%0.80572%0.723SS**  trans-55105.2176.5-22.131.4000109.3M319P317-M319 PolarHBondContact O-N 3.25Å
318E69.8Low68.8Low187 Ų187140.3 Ų140.387%0.87472%0.723SS**SBendtrans-68.6-6.2-175.3-69.8-170.4164.400112.8P316P316-E318 PolarHBondContact O-N 2.91Å
319M66.8Low66.8Low116 Ų116140.7 Ų140.757%0.57174%0.742SS**SBendtrans-119.1126175.8-88.4176.628.500111.2P317 W322P317-M319 PolarHBondContact O-N 3.25Å; M319-W322 HydrophobicContact CE-CZ2 3.69Å
320P66.4Low65.7Low106 Ų106144.6 Ų144.669%0.68875%0.751SS**  trans-52141.2164.5-20.730.7000109.4W322P320-W322 PolarHBondContact O-N 3.35Å
321P64Low64Low109 Ų109146.2 Ų146.271%0.70875%0.753SS**  trans-54.2129.3175.222.9-31.7000108.3Q323P321-Q323 VanDerWaalsContact C-N 3.34Å; P321-Q323 PolarHBondContact O-N 2.8Å
322W59.9Low62.2Low232 Ų232150.3 Ų150.388%0.87977%0.772SS**  trans-55.298.3178.3-65.4-27.5000109.6M319 P320 K324M319-W322 HydrophobicContact CE-CZ2 3.69Å; P320-W322 PolarHBondContact O-N 3.35Å; W322-K324 PolarHBondContact O-N 3.44Å
323Q63.3Low60.2Low174 Ų174152.2 Ų152.281%0.81379%0.789SS**  trans-74.8115.6170.8-75.3179.5-7.400106.9P321 R325P321-Q323 VanDerWaalsContact C-N 3.34Å; P321-Q323 PolarHBondContact O-N 2.8Å; Q323-R325 PolarHBondContact O-N 2.96Å
324K62Low58.2Low184 Ų184147.4 Ų147.480%0.879%0.786SS**PPolyproline II helixtrans-55.3123.4169.4-159.7-179.5-177.4-167.50106.9W322 Q326W322-K324 PolarHBondContact O-N 3.44Å; K324-Q326 PolarHBondContact O-N 3.25Å
325R64Low56.2Low231 Ų231145.5 Ų145.587%0.87279%0.787SS**PPolyproline II helixtrans-53.3132.4176.7-67-177.6179-135.4-0.2107.8Q323 D327Q323-R325 PolarHBondContact O-N 2.96Å; R325-D327 PolarHBondContact O-N 3.38Å
326Q58Low54.4Low192 Ų192152.8 Ų152.890%0.89780%0.801SS**PPolyproline II helixtrans-55.7123.8173.7-82.5-173.3-1200108.3K324 G328K324-Q326 PolarHBondContact O-N 3.25Å; Q326-G328 PolarHBondContact O-N 2.81Å
327D54Low52.3Low144 Ų144151.5 Ų151.577%0.7781%0.807SS**PPolyproline II helixtrans-60.1119.7168.3-69.7-47.1000106.9R325R325-D327 PolarHBondContact O-N 3.38Å
328G52.3Low50.3Low58 Ų58149.6 Ų149.660%0.59881%0.81SS**PPolyproline II helixtrans-57.7154.5178.200000111Q326 Q330Q326-G328 PolarHBondContact O-N 2.81Å; G328-Q330 PolarHBondContact O-N 3.35Å
329P43.8Very low48.5Very low134 Ų134144.2 Ų144.287%0.8781%0.805SS**PPolyproline II helixtrans-55.3125.9-173.920.1-30.4000111Q331P329-Q331 PolarHBondContact O-N 3.23Å
330Q48.5Very low46.8Very low196 Ų196151 Ų15192%0.91682%0.824SS**  trans-62.894.1-177.5-168.5163.4-3.500109.9G328 Q332G328-Q330 PolarHBondContact O-N 3.35Å; Q330-Q332 PolarHBondContact O-N 3.17Å
331Q40.8Very low45.1Very low192 Ų192150.1 Ų150.190%0.89783%0.834SS**  trans-79.2115.4166.6-113.6174.723.700109.3P329 T333P329-Q331 PolarHBondContact O-N 3.23Å; Q331-T333 PolarHBondContact O-N 3.4Å
332Q44.1Very low43.6Very low185 Ų185148.3 Ų148.386%0.86484%0.835SS**  trans-74.6101.1-178.3-171.6167.855.200109.8Q330Q330-Q332 PolarHBondContact O-N 3.17Å
333T36Very low42.1Very low140 Ų140147.8 Ų147.886%0.85983%0.834SS**  trans-168.8111.4158.7-570000105Q331Q331-T333 PolarHBondContact O-N 3.4Å
334G33.2Very low40.6Very low74 Ų74147.3 Ų147.376%0.76383%0.832SS**  103.5110.365.200000108.7
335G32.2Very low39.2Very low71 Ų71145.8 Ų145.873%0.73283%0.827SS**  trans108.5112.915200000119
336R33.7Very low37.7Very low253 Ų253139.4 Ų139.496%0.95582%0.818SS**  58.4108.5127-65.4179.5176.7-177.9-1.1119.3
337G31.8Very low36.5Very low79 Ų79134.3 Ų134.381%0.81480%0.804SS**  90.1118108.600000119.1
338G32.6Very low35.6Very low84 Ų84138.3 Ų138.387%0.86681%0.81SS**  89.3139.8121.500000119.9
339G30.9Very low34.8Very low74 Ų74139.4 Ų139.476%0.76382%0.821SS**  trans92.6107.6149.300000115.3
340R31.2Very low34.3Very low260 Ų260136.4 Ų136.498%0.98182%0.815SS**  54.811384.7-83.8-170.3175.8-173.8-0.4114.9
341G30.9Very low33.5Very low86 Ų86139.7 Ų139.789%0.88782%0.819SS**  trans105.7147.3133.700000116.7
342G31.8Very low33.1Very low71 Ų71134.5 Ų134.573%0.73282%0.816SS**  trans124.982147.900000116.5
343Y29.9Very low32.7Very low221 Ų221128.7 Ų128.787%0.86781%0.806SS**  trans-2145133.6-68.9-91.6000119.8
344E31.2Very low32.6Very low164 Ų164130 Ų13077%0.76680%0.802SS**  trans98123.8134.1-87.7-171148.600122.2
345H32.3Very low32.7Very low152 Ų152133.3 Ų133.370%0.70480%0.798SS**  trans79.4116.6133.8-98.5-86.2000121.3
346S33.6Very low32.9Very low97 Ų97138.7 Ų138.768%0.67880%0.804SS**  69.2119126.4-79.40000119.5
347S31.7Very low32.9Very low85 Ų85130 Ų13059%0.59479%0.793SS**  147.115891.9-1630000112.1
348Y35Very low33Very low228 Ų228130.5 Ų130.589%0.89480%0.798SS**  trans78.3123.8169.5-56.6-81.5000114.6
349G35.3Very low32.9Very low81 Ų81129.7 Ų129.784%0.83579%0.789SS**  cis150.8155.820.600000104.2
350G33Very low33Very low72 Ų72138.5 Ų138.574%0.74280%0.8SS**  cis171.2167.93.600000107
351R32.3Very low33Very low265 Ų265129.8 Ų129.8100%179%0.791SS**  trans65.5138.6168.6-70-177.8172.4-158.5-2.8117.3
352G33.3Very low33Very low82 Ų82129 Ų12985%0.84578%0.783SS**  cis-169.5177.53.400000106
353G34.6Very low33Very low63 Ų63138.1 Ų138.165%0.64980%0.795SS**  cis169.4170.49.800000106.9
354H33.3Very low33Very low169 Ų169131 Ų13178%0.78279%0.789SS**  trans8598.2174.6-56.5-67.1000116.3
355E35.5Very low33Very low143 Ų143125.3 Ų125.367%0.66877%0.774SS**  88.2106.278.5-89.5176.3140.900111.4
356Q37.3Very low32.9Very low184 Ų184128.2 Ų128.286%0.8678%0.781SS**  70.6133.6103.6-78.3-17433.200113
357G33.1Very low32.8Very low71 Ų71129.6 Ų129.673%0.73278%0.78SS**  cis-144.7162.9800000108.9
358G33.6Very low32.8Very low88 Ų88133.7 Ų133.791%0.90779%0.79SS**  83.2118.674.200000108.2
359G32Very low32.6Very low67 Ų67126.8 Ų126.869%0.69179%0.788SS**  cis150.5158.312.200000107.2
360R32.9Very low32.2Very low260 Ų260126.7 Ų126.798%0.98179%0.787SS**  trans73.5138.4170.7-54.6176.8174-159.5-2.7114.5
361G31.4Very low32.1Very low77 Ų77135.5 Ų135.579%0.79480%0.798SS**  cis169.4143.89.700000103.2
362G30.8Very low31.9Very low70 Ų70126.7 Ų126.772%0.72279%0.789SS**  cis118.9141.649.200000107.7
363R31.8Very low31.8Very low262 Ų262127 Ų12799%0.98979%0.792SS**  trans82.3126.8177.2-55.4179.4175.7-139.8-2.4113.9
364G29.9Very low31.5Very low71 Ų71127.3 Ų127.373%0.73280%0.795SS**  cis138.8150.426.600000104.5
365G30.6Very low31.3Very low45 Ų45131.6 Ų131.646%0.46481%0.805SS.*  cis176170.9-0.100000105.7
366Y30.4Very low31.1Very low212 Ų212128.2 Ų128.283%0.83181%0.808SS**  trans61.6138.1153.8-0.2-83.5000117.1
367D31Very low30.7Very low126 Ų126126.2 Ų126.267%0.67480%0.803SS**  cis-170.9168.79.7-142.3-50.5000109.2
368H31.5Very low30.4Very low172 Ų172129.6 Ų129.680%0.79680%0.798SS**  trans84.6107.6153.8-64.7-36.6000123.4
369G30.8Very low30.1Very low83 Ų83132.4 Ų132.486%0.85679%0.787SS**  100.7108.8126.800000115.1
370G27.5Very low29.9Very low78 Ų78137.4 Ų137.480%0.80479%0.793SS**  cis98.773.217.400000112.4
371R29.9Very low29.7Very low258 Ų258129 Ų12997%0.97479%0.787SS**  trans-177131.2137.2-118.3177.1174.8-172.8-1.9115.4
372G29.3Very low29.5Very low79 Ų79128.8 Ų128.881%0.81479%0.785SS**  trans86.1102.6154.600000114.3
373G29.7Very low29.2Very low88 Ų88137.7 Ų137.791%0.90780%0.797SS**  cis93.2114.746.100000108.3
374G28.4Very low28.9Very low70 Ų70131.2 Ų131.272%0.72279%0.786SS**  cis-177.8-168.3-1.100000111.6
375R30.1Very low28.9Very low260 Ų260135.5 Ų135.598%0.98179%0.792SS**  trans66117.4165.7-56.4-176.9179.6-1730.1115.5
376G30.1Very low28.6Very low72 Ų72136.8 Ų136.874%0.74281%0.806SS**  cis-176.6147.7400000110.2
377N29.5Very low28.4Very low141 Ų141130 Ų13075%0.75480%0.8SS**  trans1.3146.7138.6-81.38.7000116.6
378K27.3Very low28.1Very low143 Ų143130.3 Ų130.362%0.62281%0.812SS**  cis179.2143.610.2-112.3-179.2176.4-178.10105.6
379H27Very low27.7Very low147 Ų147125.9 Ų125.968%0.68181%0.813SS**  60.5152.5127.4-58.815.6000117.8
380Q28.2Very low27.5Very low172 Ų172126 Ų12680%0.80481%0.814SS**  cis-173.8149.62.2-126.3178.10.700105.3
381G28.7Very low27.4Very low83 Ų83126.5 Ų126.586%0.85682%0.819SS**  trans64.2156.7144.300000117
382G26.1Very low27.3Very low73 Ų73118.2 Ų118.275%0.75381%0.814SS**  cis178.3148.16.500000105.5
383W24.9Very low27.1Very low257 Ų257117.6 Ų117.697%0.97381%0.807SS**  trans-102.7135.3-178.4-74.774.9000110
384T26Very low26.9Very low126 Ų126124.9 Ų124.977%0.77381%0.809SS**  trans-140132154.946.50000110.1
385D29.9Very low26.9Very low161 Ų161129.9 Ų129.986%0.86181%0.814SS**  trans58125.4143.6-83.5-56.9000122.7
386G25Very low26.8Very low72 Ų72125 Ų12574%0.74281%0.807SS**  103.7111.7102.700000117.8
387G24.7Very low26.6Very low69 Ų69125 Ų12571%0.71181%0.807SS**  93.7108.9125.600000119.2
388S24.7Very low26.3Very low133 Ų133121.6 Ų121.693%0.9381%0.806SS**  66126.2123.6-50.60000120.7
389G24.8Very low26.2Very low79 Ų79125.8 Ų125.881%0.81482%0.819SS**  trans146.2119.5133.200000117.4
390G26.5Very low26.2Very low85 Ų85130 Ų13088%0.87683%0.829SS**  trans76.8126.1147.900000116
391G25.1Very low26Very low89 Ų89128.4 Ų128.492%0.91883%0.826SS**  cis100110.533.300000109.2
392G26.9Very low25.8Very low84 Ų84129.9 Ų129.987%0.86682%0.823SS**  trans136.5102.9169.500000113.6
393G25Very low25.7Very low65 Ų65129.9 Ų129.967%0.6782%0.824SS**  trans-83.8169.6175.200000113.5
394Y26.8Very low25.6Very low241 Ų241127.7 Ų127.795%0.94582%0.821SS**  trans-162.5153.5145.5-88.5-71.4000109.2
395Q27.8Very low25.8Very low175 Ų175129.9 Ų129.982%0.81882%0.823SS**  trans-75.6161.1-171.3-78.4152.4-42.800115
396D27Very low26.2Very low158 Ų158128.1 Ų128.185%0.84582%0.82SS**  trans83.9120142.5-110.5-66.6000121.6
397G26.1Very low26.3Very low71 Ų71128.5 Ų128.573%0.73282%0.824SS**  97.99912100000119.5
398G23.2Very low26.3Very low71 Ų71128.3 Ų128.373%0.73282%0.822SS**  112.9111.8129.500000120
399Y24.7Very low26.2Very low231 Ų231131.9 Ų131.991%0.90682%0.816SS**  trans56.1118.7143-76.6-89000121.9
400R27.1Very low26.2Very low236 Ų236136.1 Ų136.189%0.89182%0.815SS**  167.6119.9125.9-92.1169.8-172.4-164.63.2108.8
401D24.2Very low26.2Very low138 Ų138135.7 Ų135.774%0.73881%0.81SS**  94.612880.8-155.94.1000112
402S25.8Very low26.2Very low113 Ų113135.2 Ų135.279%0.7981%0.805SS**  trans5.2141.9160.2-490000121
403G24.2Very low26.2Very low74 Ų74140.8 Ų140.876%0.76381%0.809SS**  trans155.499.5149.200000117.4
404F23Very low26.3Very low210 Ų210143.5 Ų143.592%0.92182%0.817SS**  43.1126.9126.9-121-110.9000121.5
405Q28.3Very low26.3Very low173 Ų173135.8 Ų135.881%0.80881%0.811SS**  trans-52.4-179.5153.5-64.5-171.8-54.600112
406P40Very low26.2Very low123 Ų123131.2 Ų131.280%0.79981%0.81SS**  cis-147.5178.813.334.3-9.5000116.4
407G25.4Very low26.2Very low80 Ų80134.9 Ų134.983%0.82581%0.814SS**  trans169.2137.5160.200000110.3
408G25.3Very low26.2Very low65 Ų65141.3 Ų141.367%0.6783%0.825SS**  cis158.1119.5600000108.3
409Y23.7Very low26.3Very low208 Ų208141.4 Ų141.482%0.81683%0.826SS**  trans66.2134144.1-76.5-75.2000126
410H25.1Very low26.5Very low168 Ų168134.7 Ų134.778%0.77883%0.827SS**  trans59.2134.6144.3-68.2-56.5000119.5
411G25.6Very low26.3Very low76 Ų76127.1 Ų127.178%0.78482%0.823SS**  cis106.7107.724.500000110
412G25.8Very low26.6Very low79 Ų79132.5 Ų132.581%0.81483%0.834SS**  trans178.7109.5173.600000114.2
413H26.1Very low26.6Very low202 Ų202130.5 Ų130.594%0.93583%0.832SS**  trans-84.3148.8173.6-74.556.2000111.2
414S27.3Very low26.7Very low122 Ų122130.9 Ų130.985%0.85384%0.836SS**  trans-166.6130.9133.6-175.30000110.6
415G27.6Very low26.8Very low79 Ų79130.6 Ų130.681%0.81483%0.834SS**  trans-88.3169.5174.800000113.7
416G24.6Very low26.7Very low78 Ų78131.5 Ų131.580%0.80484%0.839SS**  trans-161.3125.616800000109.4
417Y26.2Very low26.1Very low235 Ų235132.2 Ų132.292%0.92284%0.841SS**  trans-85.2140-174.9-84.4-103.2000113
418Q27.2Very low26.1Very low206 Ų206134 Ų13496%0.96384%0.841SS**  trans162.8142.5143.2-100.4170.8-19.300106.2
419G25.3Very low26.1Very low73 Ų73135.4 Ų135.475%0.75384%0.841SS**  cis171.1150.812.400000103.8
420G28.2Very low26.1Very low90 Ų90136.5 Ų136.593%0.92885%0.845SS**  trans-61.1163.1-159.400000118.6
421G23.2Very low26.4Very low78 Ų78134.7 Ų134.780%0.80485%0.845SS**  trans177.6114.1168.100000111.4
422Y30.1Very low26.5Very low250 Ų250134.4 Ų134.498%0.9884%0.843SS**  trans-63.1141.5176.4-78.6-106.8000111.9
423G25.9Very low26.5Very low71 Ų71137 Ų13773%0.73285%0.848SS**  trans154.1109.1159.700000117.2
424G26.7Very low26.4Very low82 Ų82130.2 Ų130.285%0.84583%0.833SS**  trans43.9104.8144.500000121
425F25.1Very low26.4Very low204 Ų204135.6 Ų135.690%0.89584%0.837SS**  trans-88.2109.1163.1-88.6-90.2000111.6
426Q27.4Very low26.4Very low193 Ų193140.8 Ų140.890%0.90284%0.84SS**  trans-84.1133.9150.7-76.2179-25.900108.3
427T26.4Very low26.5Very low137 Ų137140.9 Ų140.984%0.8484%0.841SS**  trans-111.5122.1169.416.90000109.4
428S26.4Very low26.5Very low118 Ų118133.1 Ų133.183%0.82583%0.832SS**  trans-91.9151.8171.7-167.30000110.9
429S24.7Very low26.4Very low95 Ų95126.5 Ų126.566%0.66482%0.819SS**  trans-66.2150.8-171.644.70000116.5
430Y24.1Very low26.4Very low231 Ų231133.9 Ų133.991%0.90683%0.826SS**  trans-132.3120.7147.8-116.2-92.3000110.4
431T30.1Very low26.4Very low129 Ų129138.7 Ų138.779%0.79182%0.824SS**  trans-65.5159.9163.443.30000109.9
432G27.3Very low26.7Very low70 Ų70143.6 Ų143.672%0.72283%0.826SS**  cis132.611814.700000109.7
433S26.1Very low26.6Very low133 Ų133139.2 Ų139.293%0.9382%0.82SS**  trans-172.7122.7157.1-86.10000107.7
434G24.4Very low26.7Very low61 Ų61142.5 Ų142.563%0.62982%0.821SS**  cis131.8100.98.400000108
435Y26.8Very low26.7Very low235 Ų235149.8 Ų149.892%0.92282%0.823SS**  trans-151.9136.9159.6-85-73.7000112.1
436Q28.3Very low26.9Very low187 Ų187151.1 Ų151.187%0.87482%0.823SS**  trans-35.1137.7-173.2-81.8153.9-33.400119.5
437G27.6Very low27.2Very low80 Ų80151.1 Ų151.183%0.82582%0.823SS**PPolyproline II helixtrans-97.4139.2163.600000112.4
438G25.3Very low27.3Very low72 Ų72152.4 Ų152.474%0.74283%0.825SS**PPolyproline II helixtrans-98.9128.7159.200000109.3
439G24.5Very low27.5Very low67 Ų67150.2 Ų150.269%0.69182%0.821SS**PPolyproline II helixtrans-80.7148.1-175.700000113.8
440Y26.7Very low27.6Very low228 Ų228149.4 Ų149.489%0.89483%0.828SS**  trans-138.2124157.1-68.2-79.2000109
441Q27.9Very low27.8Very low192 Ų192147.6 Ų147.690%0.89783%0.827SS**  trans-57.6135.3173.4-83155.3-49.600111.2
442Q29.1Very low27.8Very low181 Ų181150.8 Ų150.885%0.84683%0.832SS**  trans-95.9110.5164.9-88.1-178.41.500109
443D27.8Very low27.8Very low157 Ų157150.3 Ų150.384%0.8483%0.828SS**  trans-81.2115.4159.6-84.4-51000109.1
444N27.6Very low28Very low141 Ų141150.4 Ų150.475%0.75482%0.818SS**  trans-109.499.5171.3-120.18.9000108
445R27.8Very low28.1Very low235 Ų235158.4 Ų158.489%0.88783%0.829SS**  trans-121107.9159.4-73.4-168.4-165.7-179.65.2108.4
446Y29.4Very low28.1Very low232 Ų232151.1 Ų151.191%0.9183%0.825SS**  trans-121.3117152.4-90-83000106.9
447Q32.5Very low28Very low193 Ų193146.4 Ų146.490%0.90283%0.827SS**  trans-101.9131.1176.7-156.4169.219.700107.3
448D29.5Very low27.9Very low163 Ų163146.7 Ų146.787%0.87283%0.83SS**  trans-63.4152.8176.7-158.4-11.1000111.8
449G29.7Very low28.1Very low73 Ų73155.7 Ų155.775%0.75384%0.841SS**  trans17586.3178.300000116.9
450G26.7Very low28.1Very low77 Ų77156.5 Ų156.579%0.79485%0.85SS**  82.7114.7115.400000120.8
451H28.9Very low28.1Very low193 Ų193149.2 Ų149.289%0.89484%0.844SS**  trans-58.1147.8161.5-89.322.7000114.4
452H29.1Very low28.1Very low196 Ų196152.6 Ų152.691%0.90785%0.849SS**  trans-159.6130137-110.8-71.2000110.7
453G29Very low28Very low60 Ų60147.9 Ų147.962%0.61985%0.848SS**  trans-104.7150.5160.900000110.4
454D28.6Very low27.9Very low136 Ų136144.1 Ų144.173%0.72785%0.847SS**  173.7138.2126.3-111.2-50.3000112.2
455R28.1Very low28Very low229 Ų229149.9 Ų149.986%0.86486%0.858SS**  trans70.3129.7140.2-75.6162.7-161-156.10.2125.1
456G26.3Very low27.9Very low82 Ų82142.6 Ų142.685%0.84586%0.856SS**  trans114.4114.3141.500000112.4
457G26.2Very low27.7Very low88 Ų88135.2 Ų135.291%0.90785%0.85SS**  cis110.9111.530.300000108.6
458G25.7Very low27.6Very low86 Ų86138.5 Ų138.589%0.88786%0.855SS**  trans168.4101.6174.700000116.6
459R28.2Very low27.5Very low260 Ų260134.4 Ų134.498%0.98185%0.851SS**  trans-76.2157.4174-101174.2167.2-179.8-3113.4
460G25.3Very low27.6Very low84 Ų84135 Ų13587%0.86686%0.857SS**  trans108.4138.4148.100000114.2
461G26.5Very low27.7Very low75 Ų75142.9 Ų142.977%0.77386%0.863SS**  cis174160.23.200000110.7
462R28Very low27.6Very low263 Ų263138.8 Ų138.899%0.99286%0.862SS**  trans43.7131.7149.7-86.5-176.9172.9-171.3-1.3122.9
463G27.1Very low27.6Very low82 Ų82133 Ų13385%0.84586%0.855SS**  trans129.9124.7147.900000111.3
464G26.5Very low27.7Very low78 Ų78139.4 Ų139.480%0.80487%0.869SS**  cis126.3119.318.300000109.3
465R28.2Very low27.7Very low262 Ų262136.4 Ų136.499%0.98987%0.87SS**  trans81.7132.2160.7-79.8-177.8169.4-174.9-2.6122.3
466G26.7Very low27.8Very low82 Ų82129.2 Ų129.285%0.84587%0.868SS**  trans105.2116.4146.200000113.5
467G25.9Very low27.9Very low77 Ų77128 Ų12879%0.79485%0.854SS**  cis108.296.624.900000110.4
468R29.3Very low28.2Very low262 Ų262129.8 Ų129.899%0.98983%0.834SS**  trans65.6128.5163-75.1-177.9173.1-174.3-1.9119.7
469G26.9Very low29Very low78 Ų78129.2 Ų129.280%0.80483%0.828SS**  trans166.372159.100000112.6R471G469-R471 PolarHBondContact O-N 3.27Å
470G33.3Very low29Very low84 Ų84120.5 Ų120.587%0.86682%0.819SS**  trans-61.6131.4175.400000111.9
471R28Very low29.2Very low244 Ų244128.5 Ų128.592%0.92182%0.823SS**  trans-14695.7154.2-141.9175.8-171.6-171.12.3107.6G469 G473G469-R471 PolarHBondContact O-N 3.27Å; R471-G473 PolarHBondContact O-N 3.05Å
472A27.4Very low29.2Very low106 Ų106128.7 Ų128.788%0.87683%0.825SS**  trans-62.1101169.800000108.4Q474A472-Q474 PolarHBondContact O-N 3.33Å
473G28.4Very low29Very low74 Ų74121.6 Ų121.676%0.76382%0.816SS**  trans-79.795.5160.300000107.5R471 G475R471-G473 PolarHBondContact O-N 3.05Å; G473-G475 PolarHBondContact O-N 3.28Å
474Q31.9Very low29.3Very low196 Ų196126.6 Ų126.692%0.91682%0.817SS**  trans-63.489.7170-128.8175.144.300107.9A472 G476A472-Q474 PolarHBondContact O-N 3.33Å; Q474-G476 PolarHBondContact O-N 3.09Å; Q474-G476 VanDerWaalsContact O-N 3.09Å
475G28.6Very low29.2Very low73 Ų73129 Ų12975%0.75381%0.812SS**  trans-69.697.6163.900000107.3G473 G477G473-G475 PolarHBondContact O-N 3.28Å; G475-G477 PolarHBondContact O-N 3.47Å
476G30Very low29.5Very low78 Ų78128 Ų12880%0.80481%0.809SS**  trans-61.985.5171.700000110.1Q474Q474-G476 PolarHBondContact O-N 3.09Å; Q474-G476 VanDerWaalsContact O-N 3.09Å
477G27.6Very low29.6Very low55 Ų55131.3 Ų131.357%0.56780%0.803SS**  trans-62.9156.7164.200000109.9G475 G479G475-G477 PolarHBondContact O-N 3.47Å; G477-G479 PolarHBondContact O-N 3.27Å
478W33.6Very low30.1Very low127 Ų127136.4 Ų136.448%0.48181%0.806SS.*SBendtrans-6844.3-179.2-71.280.5000113.6K157K157-W478 HydrophobicContact CB-CD2 4.28Å; K157-W478 HydrophobicContact CB-CH2 3.75Å; K157-W478 HydrophobicContact CB-CZ2 3.41Å; K157-W478 VanDerWaalsContact CB-CZ2 3.41Å; K157-W478 HydrophobicContact CB-CZ3 4.29Å; K157-W478 HydrophobicContact CD-CE3 4.07Å; K157-W478 HydrophobicContact CD-CH2 3.64Å; K157-W478 HydrophobicContact CD-CZ2 4.24Å; K157-W478 HydrophobicContact CD-CZ3 3.53Å; K157-W478 HydrophobicContact CG-CE3 4.49Å; K157-W478 HydrophobicContact CG-CH2 3.39Å; K157-W478 HydrophobicContact CG-CZ2 3.63Å; K157-W478 HydrophobicContact CG-CZ3 3.85Å
479G41.3Very low30.4Very low73 Ų73125.5 Ų125.575%0.75378%0.775SS**  trans-16493.7-179.100000110.2G477G477-G479 PolarHBondContact O-N 3.27Å
480G28.1Very low31.4Very low77 Ų77122.9 Ų122.979%0.79475%0.748SS**  trans-160.699.6-179.800000112.7
481R29.5Very low32.4Very low252 Ų252127 Ų12795%0.95175%0.745SS**  trans-19.2135172.1-63.8174.4177.2-161.7-2.7118.9
482G27.3Very low33.9Very low80 Ų80116.6 Ų116.683%0.82571%0.706SS**  8393.6129.700000118.3
483S23.6Very low35.2Very low114 Ų114113.7 Ų113.780%0.79768%0.675SS**  trans-165.2129.9132.7-166.60000109.2N485S483-N485 PolarHBondContact O-N 3.3Å
484Q34Very low36.7Very low186 Ų186113.9 Ų113.987%0.86966%0.655SS**  trans-54121.9161.9-75.1163.5-30.900108.3
485N24.6Very low38Very low130 Ų130108.8 Ų108.870%0.69563%0.631SS**  trans-173115152.3-104.8-18.2000109.2S483 H487S483-N485 PolarHBondContact O-N 3.3Å; N485-H487 PolarHBondContact O-N 2.91Å; N485-H487 PolarHBondContact O-ND1 3.3Å
486Y32.8Very low39.4Very low239 Ų239106 Ų10694%0.93760%0.599SS**  trans-50.9106.6166.9-86.5-97.7000109.8
487H30Very low40.6Very low152 Ų152105.8 Ų105.870%0.70458%0.577SS**  trans-134.7108165.8-73.482.9000109.6N485 G489N485-H487 PolarHBondContact O-N 2.91Å; N485-H487 PolarHBondContact O-ND1 3.3Å; H487-G489 PolarHBondContact O-N 3.33Å
488Q35.4Very low41.6Very low185 Ų185110.4 Ų110.486%0.86458%0.583SS**  trans-15.3114152.5-145.4171.446.600112.5G490Q488-G490 PolarHBondContact O-N 3.43Å
489G36.7Very low42Very low32 Ų32105.6 Ų105.633%0.3357%0.573SS.*  trans-53.8139.7177.300000111.1H487 Q494H487-G489 PolarHBondContact O-N 3.33Å; G489-Q494 PolarHBondContact O-NE2 3.46Å
490G47.4Very low42Very low24 Ų24104.2 Ų104.225%0.24756%0.559CS.*  trans-60.8156.2179.200000112.3Q488 F492 E493 Q494Q488-G490 PolarHBondContact O-N 3.43Å; G490-F492 PolarHBondContact O-N 2.91Å; G490-E493 PolarHBondContact O-N 2.88Å; G490-Q494 PolarHBondContact O-N 3.39Å; G490-Q494 VanDerWaalsContact O-N 3.16Å
491Q54.3Low42.5Very low169 Ų169110.3 Ų110.379%0.7956%0.56SS**Hα-helixtrans-50.9-31.8-176.3-71.7-178.81.100113.8H495Q491-H495 WeakPolarHBondContact O-CB 3.46Å; Q491-H495 PolarHBondContact O-N 2.96Å
492F59.1Low42.8Very low27 Ų27105.9 Ų105.912%0.11855%0.549CS..Hα-helixtrans-66.1-49176.5177-95.2000113.4I162 F167 G490 Q494 H495 F496I162-F492 HydrophobicContact CG2-CB 4.33Å; I162-F492 HydrophobicContact CG2-CD2 3.64Å; I162-F492 HydrophobicContact CG2-CE2 4.07Å; I162-F492 HydrophobicContact CG2-CG 3.95Å; F167-F492 HydrophobicContact CB-CE2 4.28Å; F167-F492 HydrophobicContact CD1-CE2 4.06Å; F167-F492 HydrophobicContact CD1-CZ 4.22Å; F167-F492 HydrophobicContact CD2-CE2 4.06Å; F167-F492 AromaticContact CD2-CZ 3.95Å; F167-F492 HydrophobicContact CD2-CZ 3.95Å; F167-F492 HydrophobicContact CE1-CE2 4.41Å; F167-F492 HydrophobicContact CE1-CZ 4.13Å; F167-F492 HydrophobicContact CE2-CE2 4.42Å; F167-F492 AromaticContact CE2-CZ 3.87Å; F167-F492 HydrophobicContact CE2-CZ 3.87Å; F167-F492 AromaticContact CG-CE2 3.86Å; F167-F492 HydrophobicContact CG-CE2 3.86Å; F167-F492 HydrophobicContact CG-CZ 4.12Å; F167-F492 AromaticContact CZ-CZ 3.95Å; F167-F492 HydrophobicContact CZ-CZ 3.95Å; G490-F492 PolarHBondContact O-N 2.91Å; F492-Q494 VanDerWaalsContact C-N 3.32Å; F492-Q494 PolarHBondContact O-N 2.72Å; F492-H495 PolarHBondContact O-N 3.35Å; F492-F496 HydrophobicContact CD2-CE2 4.23Å; F492-F496 HydrophobicContact CE2-CD2 4.2Å; F492-F496 AromaticContact CE2-CE2 3.67Å; F492-F496 HydrophobicContact CE2-CE2 3.67Å; F492-F496 HydrophobicContact CZ-CD2 4.25Å; F492-F496 AromaticContact CZ-CE2 3.98Å; F492-F496 HydrophobicContact CZ-CE2 3.98Å
493E55.2Low43.1Very low45 Ų45112.9 Ų112.921%0.2155%0.553CS.*Hα-helixtrans-65.8-38.6178.6-92.8168.2-179.800110F143 K157 G490 H495 F496 Q497F143-E493 HydrophobicContact CE2-CG 4.15Å; F143-E493 HydrophobicContact CZ-CG 4.25Å; K157-E493 WeakPolarHBondContact CE-OE1 3.35Å; K157-E493 IonicContact NZ-OE1 2.64Å; K157-E493 PolarHBondContact NZ-OE1 3.43Å; G490-E493 PolarHBondContact O-N 2.88Å; E493-H495 PolarHBondContact O-N 2.73Å; E493-F496 PolarHBondContact O-N 3.03Å; E493-Q497 WeakPolarHBondContact O-CB 3.21Å; E493-Q497 WeakPolarHBondContact O-CG 3.5Å; E493-Q497 PolarHBondContact O-N 3.18Å
494Q59.6Low43.5Very low77 Ų77114.1 Ų114.136%0.3655%0.55SS.*Hα-helixtrans-62.6-39.7175.2-65.1-169.922.900113.1G489 G490 F492 F496 Q497 H498G489-Q494 PolarHBondContact O-NE2 3.46Å; G490-Q494 PolarHBondContact O-N 3.39Å; G490-Q494 VanDerWaalsContact O-N 3.16Å; F492-Q494 VanDerWaalsContact C-N 3.32Å; F492-Q494 PolarHBondContact O-N 2.72Å; Q494-F496 VanDerWaalsContact C-N 3.26Å; Q494-F496 PolarHBondContact O-N 3.31Å; Q494-Q497 PolarHBondContact O-N 2.88Å; Q494-H498 PolarHBondContact O-CD2 3.26Å; Q494-H498 PolarHBondContact O-N 3.28Å; Q494-H498 VanDerWaalsContact O-N 3.14Å
495H59.4Low43.2Very low89 Ų89112.9 Ų112.941%0.41254%0.544SS..Hα-helixtrans-59.6-34.9-178.8-171.971.5000113.1Q491 F492 E493 G500Q491-H495 WeakPolarHBondContact O-CB 3.46Å; Q491-H495 PolarHBondContact O-N 2.96Å; F492-H495 PolarHBondContact O-N 3.35Å; E493-H495 PolarHBondContact O-N 2.73Å; H495-G500 PolarHBondContact O-N 2.72Å
496F58.6Low43.6Very low14 Ų14111.7 Ų111.76%0.06155%0.546CS..Hα-helixtrans-101-20.1179.8-69.5-78.5000114.1S140 V142 F143 L146 M164 F492 E493 Q494S140-F496 VanDerWaalsContact CB-O 3.27Å; S140-F496 WeakPolarHBondContact CB-O 3.5Å; S140-F496 PolarHBondContact OG-O 3.26Å; V142-F496 HydrophobicContact CG1-CD1 4.16Å; V142-F496 HydrophobicContact CG1-CE1 4.19Å; F143-F496 HydrophobicContact CB-CB 4.01Å; F143-F496 HydrophobicContact CD2-CB 3.82Å; F143-F496 HydrophobicContact CG-CB 4.36Å; L146-F496 HydrophobicContact CD1-CD1 3.95Å; L146-F496 HydrophobicContact CD1-CE1 3.36Å; L146-F496 HydrophobicContact CD1-CE2 4.15Å; L146-F496 HydrophobicContact CD1-CZ 3.42Å; L146-F496 VanDerWaalsContact CD1-CZ 3.42Å; M164-F496 HydrophobicContact CE-CE1 4.03Å; M164-F496 HydrophobicContact CE-CE2 3.8Å; M164-F496 HydrophobicContact CE-CZ 3.17Å; M164-F496 HydrophobicContact SD-CE2 3.41Å; M164-F496 WeakPolarHBondContact SD-CE2 3.48Å; M164-F496 HydrophobicContact SD-CZ 3.49Å; M164-F496 WeakPolarHBondContact SD-CZ 3.36Å; F492-F496 HydrophobicContact CD2-CE2 4.23Å; F492-F496 HydrophobicContact CE2-CD2 4.2Å; F492-F496 AromaticContact CE2-CE2 3.67Å; F492-F496 HydrophobicContact CE2-CE2 3.67Å; F492-F496 HydrophobicContact CZ-CD2 4.25Å; F492-F496 AromaticContact CZ-CE2 3.98Å; F492-F496 HydrophobicContact CZ-CE2 3.98Å; E493-F496 PolarHBondContact O-N 3.03Å; Q494-F496 VanDerWaalsContact C-N 3.26Å; Q494-F496 PolarHBondContact O-N 3.31Å
497Q55.3Low43.9Very low74 Ų74102.7 Ų102.735%0.34653%0.526SS..Hα-helixtrans-71.5-34.4173.2-78175.310.500112.1E493 Q494E493-Q497 WeakPolarHBondContact O-CB 3.21Å; E493-Q497 WeakPolarHBondContact O-CG 3.5Å; E493-Q497 PolarHBondContact O-N 3.18Å; Q494-Q497 PolarHBondContact O-N 2.88Å
498H48.2Very low43.9Very low153 Ų153106 Ų10671%0.70854%0.539SS*.SBendtrans-93.110.2179.5-66.1-63.1000114.8Q494Q494-H498 PolarHBondContact O-CD2 3.26Å; Q494-H498 PolarHBondContact O-N 3.28Å; Q494-H498 VanDerWaalsContact O-N 3.14Å
499G42.4Very low43.7Very low26 Ų26101 Ų10127%0.26854%0.537SS..  trans71.298.6-176.200000111.1Y501G499-Y501 PolarHBondContact O-N 3.13Å
500G40.9Very low43.3Very low44 Ų44108.4 Ų108.445%0.45456%0.563SS.*  trans-67.45717200000113.1H495 Q502H495-G500 PolarHBondContact O-N 2.72Å; G500-Q502 PolarHBondContact O-N 3.21Å
501Y38.1Very low42.5Very low205 Ų205110.8 Ų110.880%0.80459%0.587SS**  trans-84.320.4174.4-78.1-76.9000113.1G499G499-Y501 PolarHBondContact O-N 3.13Å
502Q35.2Very low41.2Very low158 Ų158111.9 Ų111.974%0.73858%0.584SS**  trans-97.216.6178.9-88-163.3-12.800115.6G500G500-Q502 PolarHBondContact O-N 3.21Å
503Y34.4Very low39.7Very low228 Ų228119.3 Ų119.389%0.89462%0.619SS**SBendtrans-129.262.4159.7-85.8-86.3000111.3
504N32.8Very low38.4Very low139 Ų139126.1 Ų126.174%0.74364%0.644SS**  trans-153.365.1146.7-122-9.1000108.8
505H26.7Very low36.9Very low160 Ų160129.1 Ų129.174%0.74167%0.668SS**  trans-10465.3163.7-85.1-1.3000109.3G507H505-G507 PolarHBondContact O-N 3.01Å
506S33.8Very low35.5Very low106 Ų106134 Ų13474%0.74171%0.712SS**  trans-74.985.3137.654.80000105.7F508S506-F508 PolarHBondContact O-N 3.29Å
507G37.4Very low34.4Very low50 Ų50140 Ų14052%0.51575%0.745SS.*  trans-63.6123.5-16900000112.2H505H505-G507 PolarHBondContact O-N 3.01Å
508F31.6Very low33.3Very low221 Ų221143.5 Ų143.597%0.96977%0.766SS**  trans-158100.7150.6-87.1-71.4000107.9S506S506-F508 PolarHBondContact O-N 3.29Å
509G30Very low32.5Very low80 Ų80142.9 Ų142.983%0.82577%0.769SS**  trans-171.835.8-178.700000112.3
510Q29.4Very low31.9Very low187 Ų187149.8 Ų149.887%0.87480%0.798SS**  trans-102.7104.8158.2-81.6-160.6-2.200107.8R512Q510-R512 PolarHBondContact O-N 3.27Å; Q510-R512 VanDerWaalsContact O-N 3.16Å
511G30.4Very low31.3Very low74 Ų74156.4 Ų156.476%0.76382%0.82SS**  trans-63.6110165.900000108.9H513G511-H513 PolarHBondContact O-N 2.79Å
512R27.8Very low30.8Very low193 Ų193153.2 Ų153.273%0.72882%0.821SS**  trans-78.6112.1161-77.9-165.5178.9-166.11.6107.8Q510 Y514Q510-R512 PolarHBondContact O-N 3.27Å; Q510-R512 VanDerWaalsContact O-N 3.16Å; R512-Y514 HydrophobicContact CB-CD2 4.18Å; R512-Y514 HydrophobicContact CB-CE2 4.14Å; R512-Y514 PolarHBondContact NH1-OH 3.05Å; R512-Y514 PolarHBondContact O-N 3.46Å
513H27.2Very low30.5Very low183 Ų183152.9 Ų152.985%0.84783%0.827SS**  trans-62.9123.3156.7-70.5-82000108.4G511G511-H513 PolarHBondContact O-N 2.79Å
514Y27.4Very low30.2Very low188 Ų188147.1 Ų147.174%0.73782%0.822SS**  trans-121.8118155.4-85.3-80.9000107.5R512R512-Y514 HydrophobicContact CB-CD2 4.18Å; R512-Y514 HydrophobicContact CB-CE2 4.14Å; R512-Y514 PolarHBondContact NH1-OH 3.05Å; R512-Y514 PolarHBondContact O-N 3.46Å
515T27.8Very low30Very low139 Ų139147.8 Ų147.885%0.85383%0.828SS**  trans-76.8139.6167.246.20000109.8
516S31Very low30.3Very low192 Ų192146.6 Ų146.6100%1.34384%0.836SS**  trans-1360139.958.40000107.4

Retrieved 516 of 516 residues in 75.8 ms (Link to these results)

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